Determination and thermodynamic modeling of solid–liquid phase equilibrium for 3,5-dichloroaniline in pure solvents and ternary 3,5-dichloroaniline + 1,3,5-trichlorobenzene + toluene system

International Nuclear Information System (INIS)

Li, Rongrong; Du, Cunbin; Meng, Long; Han, Shuo; Wang, Jian; Zhao, Hongkun

2016-01-01

Highlights: • Solubility of 3,5-dichloroaniline in seven organic solvents were determined. • Solid–liquid phase equilibrium for ternary system was measured. • The binary and ternary phase diagrams were constructed. • The phase diagrams were correlated with thermodynamic models. - Abstract: The solid–liquid phase equilibrium data for 3,5-dichloroaniline in n-propanol, isopropanol, n-butanol, isobutanol, toluene, ethyl acetate and acetone at (283.15 to 308.15) K were determined experimentally by gas chromatography under 101.3 kPa. The solubility of 3,5-dichloroaniline in these solvents decreased according to the following order: ethyl acetate > (acetone, toluene) for the solvents of ethyl acetate, acetone, and toluene; and for the other solvents, (isopropanol, n-butanol) > n-propanol > isobutanol. According to the solubility of 3,5-dichloroaniline in pure solvents, the solid–liquid phase equilibrium for the ternary mixture of 3,5-dichloroaniline + 1,3,5-trichlorobenzene + toluene were measured by using an isothermal saturation method at three temperatures of 283.15, 293.15, and 303.15 K under 101.3 kPa, and the corresponding isothermal phase diagrams were constructed. Two pure solids were formed in the ternary system at a fixed temperature, which were pure 3,5-dichloroaniline and pure 1,3,5-trichlorobenzene and were identified by Schreinemakers’ method of wet residue. The temperature dependence of 3,5-dichloroaniline solubility in pure solvents was correlated by the modified Apelblat equation, λh equation, Wilson model and NRTL model; and the ternary solid–liquid phase equilibrium of 3,5-dichloroaniline + 1,3,5-trichlorobenzene + toluene were described by the Wilson model and NRTL model. Results showed that calculated solubility values with these models agreed well with the experimental ones for the studied binary and ternary systems. The solid–liquid equilibrium and the thermodynamic models for the binary and ternary systems can offer the

Administration of 3,5-diiodothyronine (3,5-T2) causes central hypothyroidism and stimulates thyroid-sensitive tissues.

Science.gov (United States)

Padron, Alvaro Souto; Neto, Ruy Andrade Louzada; Pantaleão, Thiago Urgal; de Souza dos Santos, Maria Carolina; Araujo, Renata Lopes; de Andrade, Bruno Moulin; da Silva Leandro, Monique; de Castro, João Pedro Saar Werneck; Ferreira, Andrea Claudia Freitas; de Carvalho, Denise Pires

2014-06-01

In general, 3,5-diiodothyronine (3,5-T2) increases the resting metabolic rate and oxygen consumption, exerting short-term beneficial metabolic effects on rats subjected to a high-fat diet. Our aim was to evaluate the effects of chronic 3,5-T2 administration on the hypothalamus-pituitary-thyroid axis, body mass gain, adipose tissue mass, and body oxygen consumption in Wistar rats from 3 to 6 months of age. The rats were treated daily with 3,5-T2 (25, 50, or 75 μg/100 g body weight, s.c.) for 90 days between the ages of 3 and 6 months. The administration of 3,5-T2 suppressed thyroid function, reducing not only thyroid iodide uptake but also thyroperoxidase, NADPH oxidase 4 (NOX4), and thyroid type 1 iodothyronine deiodinase (D1 (DIO1)) activities and expression levels, whereas the expression of the TSH receptor and dual oxidase (DUOX) were increased. Serum TSH, 3,3',5-triiodothyronine, and thyroxine were reduced in a 3,5-T2 dose-dependent manner, whereas oxygen consumption increased in these animals, indicating the direct action of 3,5-T2 on this physiological variable. Type 2 deiodinase activity increased in both the hypothalamus and the pituitary, and D1 activities in the liver and kidney were also increased in groups treated with 3,5-T2. Moreover, after 3 months of 3,5-T2 administration, body mass and retroperitoneal fat pad mass were significantly reduced, whereas the heart rate and mass were unchanged. Thus, 3,5-T2 acts as a direct stimulator of energy expenditure and reduces body mass gain; however, TSH suppression may develop secondary to 3,5-T2 administration. © 2014 The authors.

RELAP5-3D User Problems

Energy Technology Data Exchange (ETDEWEB)

Riemke, Richard Allan

2002-09-01

The Reactor Excursion and Leak Analysis Program with 3D capability1 (RELAP5-3D) is a reactor system analysis code that has been developed at the Idaho National Engineering and Environmental Laboratory (INEEL) for the U. S. Department of Energy (DOE). The 3D capability in RELAP5-3D includes 3D hydrodynamics2 and 3D neutron kinetics3,4. Assessment, verification, and validation of the 3D capability in RELAP5-3D is discussed in the literature5,6,7,8,9,10. Additional assessment, verification, and validation of the 3D capability of RELAP5-3D will be presented in other papers in this users seminar. As with any software, user problems occur. User problems usually fall into the categories of input processing failure, code execution failure, restart/renodalization failure, unphysical result, and installation. This presentation will discuss some of the more generic user problems that have been reported on RELAP5-3D as well as their resolution.

Vectorization of DOT3.5 code

International Nuclear Information System (INIS)

Nonomiya, Iwao; Ishiguro, Misako; Tsutsui, Tsuneo

1990-07-01

In this report, we describe the vectorization of two-dimensional Sn-method radiation transport code DOT3.5. Vectorized codes are not only the NEA original version developed at ORNL but also the versions improved by JAERI: DOT3.5 FNS version for fusion neutronics analyses, DOT3.5 FER version for fusion reactor design, and ESPRIT module of RADHEAT-V4 code system for radiation shielding and radiation transport analyses. In DOT3.5, input/output processing time amounts to a great part of the elapsed time when a large number of energy groups and/or a large number of spatial mesh points are used in the calculated problem. Therefore, an improvement has been made for the speedup of input/output processing in the DOT3.5 FNS version, and DOT-DD (Double Differential cross section) code. The total speedup ratio of vectorized version to the original scalar one is 1.7∼1.9 for DOT3.5 NEA version, 2.2∼2.3 fro DOT3.5 FNS version, 1.7 for DOT3.5 FER version, and 3.1∼4.4 for RADHEAT-V4, respectively. The elapsed times for improved DOT3.5 FNS version and DOT-DD are reduced to 50∼65% that of the original version by the input/output speedup. In this report, we describe summary of codes, the techniques used for the vectorization and input/output speedup, verification of computed results, and speedup effect. (author)

1,3-Dibromo-5,5-dimethylhydantoin: a versatile catalyst for synthesis of 3,3-bis(indolyloxindoles

Directory of Open Access Journals (Sweden)

Seyyedeh Fatemeh Hojati

2013-10-01

Full Text Available A condensation of various isatins with indole derivatives has been carried out in the presence of 1,3-dibromo-5,5-dimethylhydantoin (DBDMH as catalyst at 50 °C in ethanol in order to form 3,3-bis(indolyl oxindoles. The products were obtained within 20-90 min by 70-96% yields. The efficacy of the procedure has been confirmed by catalyzing the condensation reaction of pyrrole which was used as another sort of heterocycle with indole to obtain its corresponding 3,3-bis(2-pyrrolyloxinole. A plausible mechanism of the condensation based on DBDMH activating role has also been proposed. DBDMH is an effective, commercially available, insensitive to moisture and easily handling catalyst. Simple procedure, easy work-up, mild reaction conditions, high yields and short reaction times are the highlighted points of reported method.

RELAP5-3D User Problems

International Nuclear Information System (INIS)

Riemke, Richard Allan

2001-01-01

The Reactor Excursion and Leak Analysis Program with 3D capability (RELAP5-3D) is a reactor system analysis code that has been developed at the Idaho National Engineering and Environmental Laboratory (INEEL) for the U. S. Department of Energy (DOE). The 3D capability in RELAP5-3D includes 3D hydrodynamics and 3D neutron kinetics. Assessment, verification, and validation of the 3D capability in RELAP5-3D is discussed in the literature. Additional assessment, verification, and validation of the 3D capability of RELAP5-3D will be presented in other papers in this users seminar. As with any software, user problems occur. User problems usually fall into the categories of input processing failure, code execution failure, restart/renodalization failure, unphysical result, and installation. This presentation will discuss some of the more generic user problems that have been reported on RELAP5-3D as well as their resolution

Phosphorylation of inositol 1,4,5-trisphosphate analogues by 3-kinase and dephosphorylation of inositol 1,3,4,5-tetrakisphosphate analogues by 5-phosphatase

NARCIS (Netherlands)

Dijken, Peter van; Lammers, Aleida A.; Ozaki, Shoichiro; Potter, Barry V.L.; Erneux, Christophe; Haastert, Peter J.M. van

1994-01-01

A series of P-32-labeled D-myo-inositol 1,3,4,5-tetrakisphosphate [Ins(1,3,4,5)P-4] analogues was enzymically prepared from the corresponding D-myo-inositol 1,4,5-trisphosphate [Ins(1,4,5)P-3] analogues using recombinant rat brain Ins(1,4,5)P-3 3-kinase and [gamma-P-32]ATP. Ins(1,4,5)P-3 analogues

Biological stereoselective reduction of 3,3,5-trimethylcyclohexanone by Glomerella cingulata.

Science.gov (United States)

Okamura, S; Kameoka, H; Miyazawa, M

2001-01-01

The microbial transformation of 3,3,5-trimethylcyclohexanone was investigated using the plant pathogenic fungus, Glomerella cingulata. With this organism 3,3,5-trimethylcyclohexanone gave the corresponding cis- and trans-3,3,5-trimethylcyclohexanols with the ratio of 20:1 forming the cis-isomer highly stereoselectively, upon 5 days incubation together with 3,3,5-trimethyl-2-cyclohexen-1-one (isophrone) as a minor product.

IRIS Toxicological Review of Hexahydro-1,3,5-Trinitro-1,3,5 ...

Science.gov (United States)

The IRIS Toxicological Review of Hexahydro-1,3,5-trinitro-1,3,5-triazine (RDX) was released for external peer review in September 2016. The EPA’s Science Advisory Board’s (SAB) Chemical Assessment Advisory Committee (CAAC) will conduct a peer review of the scientific basis supporting the RDX assessment and release a final report of their review. Information regarding the peer review can be found on the SAB website. EPA is undertaking an update of the Integrated Risk Information System (IRIS) health assessment for RDX. The outcome of this project is an updated Toxicological Review and IRIS Summary for RDX that will be entered into the IRIS database.

44 CFR 5.3 - Definitions.

Science.gov (United States)

2010-10-01

... 44 Emergency Management and Assistance 1 2010-10-01 2010-10-01 false Definitions. 5.3 Section 5.3 Emergency Management and Assistance FEDERAL EMERGENCY MANAGEMENT AGENCY, DEPARTMENT OF HOMELAND SECURITY... means all books, papers, maps, photographs, or other documentary materials, regardless of physical form...

Syntheses, structures, and physicochemical properties of diruthenium compounds of tetrachlorocatecholate with metal-metal bonded Ru(3+)(mu-OR)(2)Ru(3+) and Ru(3.5+)(mu-OR)(2)Ru(3.5+) cores (R = CH(3) and C(2)H(5)).

Science.gov (United States)

Miyasaka, H; Chang, H C; Mochizuki, K; Kitagawa, S

2001-07-02

Metal-metal bonded Ru(3+)(mu-OR)(2)Ru(3+) and Ru(3.5+)(mu-OR)(2)Ru(3.5+) (R = CH(3) and CH(3)CH(2)) compounds with tetrachlorocatecholate (Cl(4)Cat) have been synthesized in the corresponding alcohol, MeOH and EtOH, from a nonbridged Ru(2+)-Ru(3+) compound, Na(3)[Ru(2)(Cl(4)Cat)(4)(THF)].3H(2)O.7THF (1). In alcohol solvents, compound 1 is continuously oxidized by oxygen to form Ru(3+)(mu-OR)(2)Ru(3+) and Ru(3.5+)(mu-OR)(2)Ru(3.5+) species. The presence of a characteristic countercation leads to selective isolation of either Ru(3+)(mu-OR)(2)Ru(3+) or Ru(3.5+)(mu-OR)(2)Ru(3.5+) as a stable adduct species. In methanol, Ph(4)PCl and dibenzo-18-crown-6-ether afford Ru(3+)(mu-OMe)(2)Ru(3+) species, [A](2)[Ru(2)(Cl(4)Cat)(4)(mu-OMe)(2)Na(2)(MeOH)(6)] ([A](+) = Ph(4)P(+) (2), [Na(dibenzo-18-crown-6)(H(2)O)(MeOH)](+) (3)), while benzo-15-crown-5-ether provides a Ru(3.5+)(mu-OMe)(2)Ru(3.5+) species, [Na(benzo-15-crown-5)(2)][Ru(2)(Cl(4)Cat)(4)(mu-OMe)(2)Na(2)(MeOH)(6)] (4). The air oxidation of 1 in a MeOH/EtOH mixed solvent (1:1 v/v) containing benzo-15-crown-5-ether provides a Ru(3.5+)(mu-OMe)(2)Ru(3.5+) species, [Na(benzo-15-crown-5)(H(2)O)][Ru(2)(Cl(4)Cat)(2)(mu-OMe)(2)Na(2)(EtOH)(2)(H(2)O)(2)(MeOH)(2)].(benzo-15-crown-5) (5). Similarly, the oxidation of 1 in ethanol with Ph(4)PCl provides a Ru(3.5+)(mu-OEt)(2)Ru(3.5+) species, (Ph(4)P)[Ru(2)(Cl(4)Cat)(4)(mu-OEt)(2)Na(2)(EtOH)(6)] (7). A selective formation of a Ru(3+)(mu-OEt)(2)Ru(3+) species, (Ph(4)P)(2)[Ru(2)(Cl(4)Cat)(4)(mu-OEt)(2)Na(2)(EtOH)(2)(H(2)O)(2)] (6), is found in the presence of pyrazine or 2,5-dimethylpyrazine. The crystal structures of these compounds, except 2 and 7, have been determined by X-ray crystallography, and all compounds have been characterized by several spectroscopic and magnetic investigations. The longer Ru-Ru bonds are found in the Ru(3+)(mu-OR)(2)Ru(3+) species (2.606(1) and 2.628(2) A for 3 and 6, respectively) compared with those of Ru(3.5+)(mu-OMe)(2)Ru(3.5+) species (2.5260(6) A and 2

32 CFR 3.5 - Appropriate use.

Science.gov (United States)

2010-07-01

... CONTRACTS, GRANTS, OR COOPERATIVE AGREEMENTS FOR PROTOTYPE PROJECTS § 3.5 Appropriate use. In accordance... 32 National Defense 1 2010-07-01 2010-07-01 false Appropriate use. 3.5 Section 3.5 National... is participating to a significant extent in the prototype project; or (b) No nontraditional Defense...

4 CFR 5.3 - Merit pay.

Science.gov (United States)

2010-01-01

... 4 Accounts 1 2010-01-01 2010-01-01 false Merit pay. 5.3 Section 5.3 Accounts GOVERNMENT ACCOUNTABILITY OFFICE PERSONNEL SYSTEM COMPENSATION § 5.3 Merit pay. The Comptroller General may promulgate regulations establishing a merit pay system for such employees of the Government Accountability Office as the...

36 CFR 5.3 - Business operations.

Science.gov (United States)

2010-07-01

... 36 Parks, Forests, and Public Property 1 2010-07-01 2010-07-01 false Business operations. 5.3 Section 5.3 Parks, Forests, and Public Property NATIONAL PARK SERVICE, DEPARTMENT OF THE INTERIOR COMMERCIAL AND PRIVATE OPERATIONS § 5.3 Business operations. Engaging in or soliciting any business in park...

Crystal structure and Mössbauer effect in multiferroic 0.5BiFeO3-0.5Pb(Fe0.5Ta0.5O3 solid solution

Directory of Open Access Journals (Sweden)

Stoch Agata

2017-06-01

Full Text Available Multiferroic 0.5BiFeO3-0.5Pb(Fe0.5Ta0.5O3 solid solution is a material that exhibits ferroelectric and antiferromagnetic orderings in ambient temperature. The solid solution was obtained as a result of a conventional reaction in a solid state. The obtained material is a dense, fine-grained sinter whose surface was observed by scanning electron microscopy (SEM and stoichiometry was confirmed by energy dispersive X-ray spectroscopic (EDS analysis. According to the X-ray powder diffraction (XRD measurements, the main phase is R3c space group with admixture of Pm-3m regular phase. Small contribution of pyrochlore-like phase was also observed. Mössbauer spectroscopy suggested random distribution of Fe3+/Ta5+ cations in the B sites of ABO3 compound. Reduction of the magnetic hyperfine field with an increase in the substitution of Ta5+ in Fe3+ neighbourhood was also observed.

The system La(PO3)3-Ca(PO3)2-P2O5

International Nuclear Information System (INIS)

Jungowska, W.; Znamierowska, T.

1993-01-01

Ternary system La(PO 3 ) 3 -Ca(PO 3 ) 2 -P 2 O 5 has been studied by means of thermal and roentgenography analysis. The existence of single intermediate compound CaLa(PO 3 ) 5 has been observed. The phase diagrams for the ternary system as well as for two binary systems La(PO 3 ) 3 -Ca(PO 3 ) 2 and CaLa(PO 3 ) 5 -LaP 5 O 11 have been shown. 7 refs, 3 figs

Magnetic properties of two new compounds: Pr2Ni3Si5 and Ho2Ni3Si5

International Nuclear Information System (INIS)

Mazumdar, C.; Padalia, B.D.; Godart, C.

1994-01-01

Formation of two more new materials, Pr 2 Ni 3 Si 5 and Ho 2 Ni 3 Si 5 , of the series, R 2 Ni 3 Si 5 (R = rare earth and Y) and their magnetic properties are reported here. These materials crystallize in the orthorhombic U 2 Co 3 Si 5 -type structure (space group Ibam). Magnetic susceptibility measurement in the temperature range 5 K--300 K show that the compound Pr 2 Ni 3 Si 5 order antiferromagnetically at T N ∼ 8.5 K and Ho 2 Ni 3 Si 5 at ∼ 6 K. Considering T N (Gd 2 Ni 3 Si 5 ) ∼ 15 K, T N (Pr 2 Ni 3 Si 5 ) ∼ 8.5 K is rather high. The magnetic susceptibility of both of the materials, in the paramagnetic state, follows a Curie-Weiss law with effective moment close to that of the corresponding free trivalent rare earth ion

Spontaneous adsorption of 3,5-bis(3,5-dinitrobenzoylamino) benzoic acid onto carbon

International Nuclear Information System (INIS)

Paez, Julieta I.; Strumia, Miriam C.; Passeggi, Mario C.G.; Ferron, Julio; Baruzzi, Ana M.; Brunetti, Veronica

2009-01-01

Dendritic molecules contain multifunctional groups that can be used to efficiently control the properties of an electrode surface. We are developing strategies to generate a highly functionalized surface using multifunctional and rigid dendrons immobilized onto different substrates. In the present work, we explore the immobilization of a dendritic molecule: 3,5-bis(3,5-dinitrobenzoylamino) benzoic acid (D-NO 2 ) onto carbon surfaces showing a simple and rapid way to produce conductive surfaces with electroactive chemical functions. The immobilized D-NO 2 layer has been characterized using atomic force microscopy and cyclic voltammetry. D-NO 2 adsorbs onto carbon surfaces spontaneously by dipping the electrode in dendron solutions. Reduction of this layer generates the hydroxylamine product. The resulting redox-active layer exhibits a well-behaved redox response for the adsorbed nitroso/hydroxylamine couple. The film permeability of the derivatized surface has been analyzed employing the electrochemical response of redox probes: Ru(NH 3 ) 6 3+ /Ru(NH 3 ) 6 2+ and Fe(CN) 6 3- /Fe(CN) 6 4- . Electrocatalytic oxidation of nicotinamide adenine dinucleotide onto a modified carbon surface was also observed.

Stability of [5-3H]uridine-5'-triphosphate

International Nuclear Information System (INIS)

Brabec, D.

1980-01-01

The effect of temperature, the solvent systems, evaporation, volume reduction, etc. on the decomposition rate of [5- 3 H]uridine-5'-triphosphate was investigated. The decomposition rates and optimum storage conditions were established. The possibility of reducing the duration of the purification and separation process was examined. (author)

The synthesis of 5'-[14C1] and 3a, 4-[13C2] labelled panadiplon (U-78875; 3-(5'-cyclopropyl-1,2,4-oxadiazol-3-yl)-5-(1-methylethyl)-imidazo-[1,5a]-quinoxalin-4(5H)-one)

International Nuclear Information System (INIS)

Ackland, M.J.; Howard, M.R.; Dring, L.G.

1993-01-01

5'-[ 14 C 1 ]Panadiplon was prepared in 3 steps starting from [ 14 C 1 ]cyclopropane carboxylic acid and 3-(5'-cyano-1,2,4-oxadiazol-3-yl)-5-(1-methylethyl)-imidazo-[1,5a] -quinoxalin-4(5H)-one. 3a, 4-[ 13 C 2 ]Panadiplon was prepared in two steps from 13 C 2 -oxalic acid and N-1-(1-methylethyl)-o-phenylenediamine. The position of labelling was confirmed by the appearance of two coupled resonances (J C-C =80.59 Hz) at 121.95 and 154.39 ppm in the assigned 13 C-NMR spectrum. (Author)

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

Directory of Open Access Journals (Sweden)

Salman A. Khan

2010-03-01

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

(2E-3-(3,5-Dimethyl-1-phenyl-1H-pyrazol-4-yl-1-(2,5-dimethyl-3-thienylprop-2-en-1-one

Directory of Open Access Journals (Sweden)

Salman A. Khan

2010-04-01

Full Text Available The title compound, (2E-3-(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl-1-(2,5-dimethyl-3-thienylprop-2-en-1-one (3 was synthesized in high yield by aldol condensation of 3-acetyl-2,5-dimethylthiophene and 3,5-dimethyl-1-phenylpyrazole-4-carboxaldehyde in ethanolic NaOH at room temperature. Its structure was fully characterized by elemental analysis, IR, 1H NMR, 13C NMR and EI-MS spectral analysis.

Spontaneous adsorption of 3,5-bis(3,5-dinitrobenzoylamino) benzoic acid onto carbon

Energy Technology Data Exchange (ETDEWEB)

Paez, Julieta I.; Strumia, Miriam C. [Departamento de Quimica Organica (IMBIV-CONICET), Facultad de Ciencias Quimicas, Universidad Nacional de Cordoba, Cordoba (5000) (Argentina); Passeggi, Mario C.G. [Laboratorio de Superficies e Interfaces (INTEC-CONICET), Facultad de Ingenieria Quimica, Universidad Nacional del Litoral, Santa Fe (3000) (Argentina); Ferron, Julio [Laboratorio de Superficies e Interfaces (INTEC-CONICET), Facultad de Ingenieria Quimica, Universidad Nacional del Litoral, Santa Fe (3000) (Argentina); Departamento de Materiales, Facultad de Ingenieria Quimica, Universidad Nacional del Litoral, Santa Fe (3000) (Argentina); Baruzzi, Ana M. [Departamento de Fisicoquimica (INFIQC-CONICET), Facultad de Ciencias Quimicas, Universidad Nacional de Cordoba, Cordoba (5000) (Argentina); Brunetti, Veronica [Departamento de Fisicoquimica (INFIQC-CONICET), Facultad de Ciencias Quimicas, Universidad Nacional de Cordoba, Cordoba (5000) (Argentina)], E-mail: brunetti@fcq.unc.edu.ar

2009-07-01

Dendritic molecules contain multifunctional groups that can be used to efficiently control the properties of an electrode surface. We are developing strategies to generate a highly functionalized surface using multifunctional and rigid dendrons immobilized onto different substrates. In the present work, we explore the immobilization of a dendritic molecule: 3,5-bis(3,5-dinitrobenzoylamino) benzoic acid (D-NO{sub 2}) onto carbon surfaces showing a simple and rapid way to produce conductive surfaces with electroactive chemical functions. The immobilized D-NO{sub 2} layer has been characterized using atomic force microscopy and cyclic voltammetry. D-NO{sub 2} adsorbs onto carbon surfaces spontaneously by dipping the electrode in dendron solutions. Reduction of this layer generates the hydroxylamine product. The resulting redox-active layer exhibits a well-behaved redox response for the adsorbed nitroso/hydroxylamine couple. The film permeability of the derivatized surface has been analyzed employing the electrochemical response of redox probes: Ru(NH{sub 3}){sub 6}{sup 3+}/Ru(NH{sub 3}){sub 6}{sup 2+} and Fe(CN){sub 6}{sup 3-}/Fe(CN){sub 6}{sup 4-}. Electrocatalytic oxidation of nicotinamide adenine dinucleotide onto a modified carbon surface was also observed.

Fatal intoxication with 3-methyl-N-methylcathinone (3-MMC) and 5-(2-aminopropyl)benzofuran (5-APB).

Science.gov (United States)

Adamowicz, Piotr; Zuba, Dariusz; Byrska, Bogumiła

2014-12-01

The emergence of a large number of new psychoactive substances (NPSs) in recent years poses a serious problem to clinical and forensic toxicologists. Here we report a patient who administrated ca. 500mg of 3-MMC (3-methyl-N-methylcathinone) and 400mg of 5-APB (5-(2-aminopropyl)benzofuran) in combination with 80g of ethyl alcohol. The clinical manifestations included agitation, seizures, hypertension, tachycardia, hyperthermia and bradycardia. The patient did not recover and died around 4h after the use of drugs. The cause of death was acute cardiovascular collapse that occurred following mixed intoxication with NPSs and alcohol. Toxicological analysis of post-mortem blood revealed 3-MMC and 5-APB in concentrations of 1.6μg/mL and 5.6μg/mL, respectively. Moreover, the serum alcohol concentration was 1.4g/L in ante-mortem sample collected 1h after admission to the hospital. This is the first report on blood concentration of 3-MMC and 5-APB in fatal intoxication. Copyright © 2014 Elsevier Ireland Ltd. All rights reserved.

Phase formation, structure and dielectric properties of ceramics (Na0.5Bi0.5TiO3–(K0.5Na0.5NbO3–BiFeO3

Directory of Open Access Journals (Sweden)

G. M. Kaleva

2016-03-01

Full Text Available Influence of BiFeO3 (BF on phase formation, unit cell parameters, microstructure, dielectric and ferroelectric properties of solid solutions close to the morphotropic phase boundary in the (Na0.5Bi0.5TiO3–(K0.5Na0.5NbO3 system additionally modified by the low-melting KCl additives has been studied. The formation of pure perovskite structure samples decrease in the unit cell parameters and increase in the TC value stimulated by the BF addition have been revealed. It was proved that modification of compositions by small amounts of the BF and KCl additives leads to improvement of dielectric parameters.

5 CFR 1303.3 - Organization.

Science.gov (United States)

2010-01-01

... 5 Administrative Personnel 3 2010-01-01 2010-01-01 false Organization. 1303.3 Section 1303.3... OF THE ADMINISTRATIVE PROCEDURES ACT Organization § 1303.3 Organization. (a) The brief description of the central organization of the Office of Management and Budget follows: (1) The Director's Office...

Poly[tetraaqua-μ3-pyridine-3,5-dicarboxylato-strontium(II

Directory of Open Access Journals (Sweden)

Shirin Daneshvar

2008-02-01

Full Text Available The reaction of strontium(II nitrate with the proton-transfer compound (pdaH2(py-3,5-dc·H2O (where pda = propane-1,3-diamine and py-3,5-dcH2 = pyridine-3,5-dicarboxylic acid leads to the formation of the title polymeric compound, [Sr(C7H3NO4(H2O4]n. The propane-1,3-diaminium cation is not incorporated in this crystal structure. The SrII atom lies on an inversion centre and is eight-coordinated by four O atoms from three py-3,5-dc ligands and four O atoms from four coordinated water molecules. The coordination polyhedron of the SrII atom is a distorted dodecahedron. These binuclear units are connected via the carboxylate O atoms to build a one-dimensional polymeric chain. In the crystal structure, non-covalant interactions consisting of hydrogen bonds (X—H...O, with X = O and C and π–π stacking interactions [3.4604 (19 Å] connect the various components to form a supramolecular structure.

Cobalt(II), nickel(II), copper(II), and zinc(II) complexes with [3(5)]adamanzane, 1,5,9,13-tetraazabicyclo[7.7.3]nonadecane and [(2.3)(2).2(1)]adamanzane, 1,5,9,12-tetraazabicyclo[7.5.2]hexadecane

DEFF Research Database (Denmark)

Broge, Louise; Pretzmann, Ulla; Jensen, Nicolai

2001-01-01

) and of three cobalt(II), four nickel(II), one copper(II), and two zinc(II) complexes with [3(5)]adamanzane. For nine of these compounds (2-8, 10b, and 12) the single-crystal X-ray structures were determined. The coordination geometry around the metal ion is square pyramidal in [Cu([(2.3)(2).2(1)]adz)Br]ClO4 (2......) and trigonal bipyramidal in the isostructural structures [Cu([3(5)]adz)Br]Br (3), [Ni-([3(5)]adz)Cl]Cl (5), [Ni([3(5)]adz)Br]Br (6), and [Co([3(5)]adz)Cl]Cl (8). In [Ni([3(5)]adz)(NO3)]NO3 (4) and [Ni([3(5)]-adz)(ClO4)]ClO4 (7) the coordination geometry around nickel(II) is a distorted octahedron...... with the inorganic ligands at cis positions. The coordination polyhedron around the metal ion in [Co([3(5)]adz)][ZnCl4] (10b) and [Zn([3(5)]adz)][ZnCl4] (12) is a slightly distorted tetrahedron. Anation equilibrium constants were determined spectrophotometrically for complexes 2-6 at 25 and 40 degreesC and fall...

Natural modifiers of seed longevity in the Arabidopsis mutants abscisic acid insensitive3-5 (abi3-5) and leafy cotyledon1-3 (lec1-3)

NARCIS (Netherlands)

Sugliani, M.R.L.; Rajjou, L.; Clerkx, E.J.M.; Koornneef, M.; Soppe, W.J.J.

2009-01-01

• Seed longevity is an important trait in many crops and is essential for the success of most land plant species. Current knowledge of its molecular regulation is limited. The Arabidopsis mutants abscisic acid insensitive3-5 (abi3-5) and leafy cotyledon1-3 (lec1-3) have impaired seed maturation and

Evidence that the atypical 5-HT3 receptor ligand, [3H]-BRL46470, labels additional 5-HT3 binding sites compared to [3H]-granisetron.

Science.gov (United States)

Steward, L. J.; Ge, J.; Bentley, K. R.; Barber, P. C.; Hope, A. G.; Lambert, J. J.; Peters, J. A.; Blackburn, T. P.; Barnes, N. M.

1995-01-01

1. The radioligand binding characteristics of the 3H-derivative of the novel 5-HT3 receptor antagonist BRL46470 were investigated and directly compared to the well characterized 5-HT3 receptor radioligand [3H]-granisetron, in tissue homogenates prepared from rat cerebral cortex/hippocampus, rat ileum, NG108-15 cells, HEK-5-HT3As cells and human putamen. 2. In rat cerebral cortex/hippocampus, rat ileum, NG108-15 cell and HEK-5-HT3As cell homogenates, [3H]-BRL46470 bound with high affinity (Kd (nM): 1.57 +/- 0.18, 2.49 +/- 0.30, 1.84 +/- 0.27, 3.46 +/- 0.36, respectively; mean +/- s.e. mean, n = 3-4) to an apparently homogeneous saturable population of sites (Bmax (fmol mg-1 protein): 102 +/- 16, 44 +/- 4, 968 +/- 32 and 2055 +/- 105, respectively; mean +/- s.e. mean, n = 3-4) but failed to display specific binding in human putamen homogenates. 3. In the same homogenates of rat cerebral cortex/hippocampus, rat ileum, NG108-15 cells, HEK-5-HT3As cells and human putamen as used for the [3H]-BRL46470 studies, [3H]-granisetron also bound with high affinity (Kd (nM): 1.55 +/- 0.61, 2.31 +/- 0.44, 1.89 +/- 0.36, 2.03 +/- 0.42 and 6.46 +/- 2.58 respectively; mean +/- s.e. mean, n = 3-4) to an apparently homogeneous saturable population of sites (Bmax (fmol mg-1 protein): 39 +/- 4, 20 +/- 2, 521 +/- 47, 870 +/- 69 and 18 +/- 2, respectively; mean +/- s.e. mean, n = 3-4).(ABSTRACT TRUNCATED AT 250 WORDS) PMID:8528560

Thermochemical study of 2,5-dimethyl-3-furancarboxylic acid, 4,5-dimethyl-2-furaldehyde, and 3-acetyl-2,5-dimethylfuran

International Nuclear Information System (INIS)

Ribeiro da Silva, Manuel A.V.; Amaral, Luisa M.P.F.

2011-01-01

The standard (p o = 0.1 MPa) molar enthalpies of formation, in the gaseous state, at T = 298.15 K, for 2,5-dimethyl-3-furancarboxylic acid, 3-acetyl-2,5-dimethylfuran, and 4,5-dimethyl-2-furaldehyde were derived from the values of the standard molar enthalpies of formation, in the condensed phase, and the standard molar enthalpies of phase transition from the condensed to the gaseous state. The values of the standard molar enthalpies of formation of the compounds in the condensed phases were calculated from the measurements of the standard massic energies of combustion obtained by static bomb combustion calorimetry. The enthalpies of vaporization/sublimation were measured by Calvet high temperature microcalorimetry. For 2,5-dimethyl-3-furancarboxylic acid the standard enthalpy of sublimation was also calculated, by the application of the Clausius-Clapeyron equation, to the temperature dependence of the vapor pressures measured by the Knudsen effusion technique. (table)

Adenosine 3':5'-cyclic monophosphate in higher plants: Isolation and characterization of adenosine 3':5'-cyclic monophosphate from Kalanchoe and Agave.

Science.gov (United States)

Ashton, A R; Polya, G M

1977-01-01

1.3':5'-Cyclic AMP was extensively purified from Kalanchoe daigremontiana and Agave americana by neutral alumina and anion- and cation-exchange column chromatography. Inclusion of 3':5'-cyclic [8-3H]AMP from the point of tissue extraction permitted calculation of yields. The purification procedure removed contaminating material that was shown to interfere with the 3':5'-cyclic AMP estimation and characterization procedures. 2. The partially purified 3':5'-cyclic AMP was quantified by means of a radiochemical saturation assay using an ox heart 3':5'-cyclic AMP-binding protein and by an assay involving activation of a mammalian protein kinase. 3. The plant 3':5'-cyclic AMP co-migrated with 3':5'-cyclic [8-3H]AMP on cellulose chromatography, poly(ethyleneimine)-cellulose chromatography and silica-gel t.l.c. developed with several solvent systems. 4. The plant 3':5'-cyclic AMP was degraded by ox heart 3':5'-cyclic nucleotide phosphodiesterase at the same rates as authentic 3':5'-cyclic AMP. 1-Methyl-3-isobutylxanthine (1 mM), a specific inhibitor of the 3':5'-cyclic nucleotide phosphodieterase, completely inhibited such degradation. 5. The concentrations of 3':5'-cyclic AMP satisfying the above criteria in Kalanchoe and Agave were 2-6 and 1 pmol/g fresh wt. respectively. Possible bacterial contribution to these analyses was estimated to be less than 0.002pmol/g fresh wt. Evidence for the occurrence of 3':5'-cyclic AMP in plants is discussed. PMID:196595

Ce2Co3Ge5: a new U2Co3Si5 - type valance fluctuating compound

International Nuclear Information System (INIS)

Layek, Samar; Hossain, Zakir

2010-01-01

Poly crystalline sample of Ce 2 Co 3 Ge 5 have been prepared by arc melting and consequently annealing at 1100 deg C. Rietveld refinement of XRD shows that it crystallize in the orthorhombic U 2 Co 3 Si 5 structure (space group Ibam) with crystal parameters a= 9.802A, b= 11.777A and c= 5.941A and unit cell volume V= 684.8 A 3 The unit cell volume of Ce 2 Co 3 Ge 5 is seen clearly to deviate from that expected on the basis of lanthanide contraction. From susceptibility measurement, effective magnetic moment of this compound μ eff = 0.95 μ B which is lower than magnetic moment free for Ce 3+ ions (2.54 μB) but higher than that of non-magnetic Ce 4+ state (0 μ B ). All these results clearly indicated Ce 2 Co 3 Ge 5 to be a mixed valance compound. (author)

Dielectric and piezoelectric properties of BiFeO3 modified Bi0.5Na0.5TiO3-Bi0.5K0.5TiO3 lead-free piezoelectric ceramics

International Nuclear Information System (INIS)

Zhou Changrong; Liu Xinyu; Li Weizhou

2008-01-01

The (0.82 - x)Bi 0.5 Na 0.5 TiO 3 -0.18Bi 0.5 K 0.5 TiO 3 -xBiFeO 3 (x = 0-0.07) lead-free piezoelectric ceramics were fabricated by a conventional solid-state reaction method and the effect of BiFeO 3 addition on microstructure and electrical properties of the ceramics was investigated. The specimens with x ≤ 0.05 maintained a rhombohedral-tetragonal phase coexistence and changed into a rhombohedral phase when x > 0.05 in crystal structure. The addition of BiFeO 3 caused a promoted grain growth. All the specimens reveal a low-frequency dielectric dispersion in the frequency range of 40-1 MHz. The piezoelectric constant d 33 and the electromechanical coupling factor k p show an obvious improvement by the addition of small amount of BiFeO 3 , which shows optimum values of d 33 = 170 pC/N and k p = 0.366 at x = 0.03. Contrary to the enhancement of piezoelectric properties, Q m decreases with increasing BiFeO 3 content. The mechanisms of intrinsic and extrinsic contributions to the dielectric and piezoelectric responses have been proposed. Intrinsic contributions are from the relative ion/cation shift that preserves the ferroelectric crystal structure. The remaining extrinsic contributions are from the domain-wall motion and point defects

Faraday effect in Gd3Al5O12 and Gd3Ga5O12 rare earth garnets

International Nuclear Information System (INIS)

Valiev, U.V.; Klochkov, A.A.; Popov, A.I.; Sokolov, Y.B.

1989-01-01

The dispersion of the Faraday rotation of the garnets Gd 3 Ga 5 O 12 and Gd 3 Al 5 O 12 in the 440--700-nm region in the 85--295-K temperature interval and the spectral dependence of the Faraday effect in the garnets Y 3 Ga 5 O 12 and Y 3 Al 5 O 12 for wavelengths from 250 to 700 nm are investigated. The contributions to the Faraday rotation caused by the Gd 3+ ions and the diamagnetic lattice of the garnets are separated

Luminescent characteristics of UV excited Sr_0_._5Ca_0_._5TiO_3: Pr"3"+ reddish-orange phosphor

International Nuclear Information System (INIS)

Vidyadharan, Viji; Mohan P, Remya; Joseph, Cyriac; Unnikrishnan, N.V.; Biju, P.R.

2016-01-01

Pr"3"+ doped Sr_0_._5Ca_0_._5TiO_3 phosphors were synthesised by solid state reaction process. The structure, surface morphology and photoluminescence of the prepared phosphors were analysed using XRD, SEM and photoluminescence spectroscopy respectively. The XRD pattern confirmed orthorhombic perovskite structure of the Sr_0_._5Ca_0_._5TiO_3: x Pr"3"+ phosphor. Agglomeration of particles with irregular shapes is observed from the SEM images. The emission spectra of Sr_0_._5Ca_0_._5TiO_3: x Pr"3"+ phosphor shows the samples can be effectively excited with UV light at 336 nm and exhibit a strong reddish-orange emission at 611 nm. Concentration dependence of emission intensity shows concentration quenching effect on increasing Pr"3"+ concentration after x = 0.1 because of dipole–dipole interaction. Using Blasse's formula, critical distance for energy transfer was calculated. The CIE co-ordinates, CCT, colour purity and luminescence decay of the prepared phosphors were also calculated. These results offer the prepared phosphor as a suitable candidate for various photonic applications. - Highlights: • Sr_0_._5Ca_0_._5TiO_3: x Pr"3"+ perovskite structured phosphors were synthesized. • Under UV excitation, the PL spectra show strong reddish-orange emission. • The emission from "3P_J levels of Pr"3"+ were absent due to the presence of IVCT band. • Concentration quenching due to dipole–dipole interaction was observed. • For x = 0.1, sample shows a maximum emission intensity with 91.7% colour purity.

(E-5-[3-Cyano-2-(dicyanomethylene-1-oxaspiro[4.5]dec-3-en-4-yl]-3-(1-methyl-1,4-dihydropyridin-4-ylidenepent-4-en-1-yl 3,5-bis(benzyloxybenzoate

Directory of Open Access Journals (Sweden)

Andrew J. Kay

2013-01-01

Full Text Available In the title compound, C45H40N4O5, the cyclohexane entity on the (3-cyano-2,5-dihydrofuran-2-ylidenepropanedinitrile group, which replaces the usual dimethyl substituents, has not perturbed the delocalization geometry significantly. Weak intermolecular interactions, viz. C—H...N(cyano, C—H...O(ether, C—H...π and π–π [between the aromatic rings with the shortest centroid–centroid distance of 3.603 (3 Å], consolidate the crystal packing, which exhibits voids of 57 Å3.

Gd2O3 doped 0.82Bi0.5Na0.5TiO3–0.18Bi0.5K0.5TiO3 lead-free piezoelectric ceramics

International Nuclear Information System (INIS)

Fu, Peng; Xu, Zhijun; Chu, Ruiqing; Li, Wei; Wang, Wei; Liu, Yong

2012-01-01

Highlights: ► Gd 2 O 3 doped BNKT18 piezoelectric ceramics were designed and prepared. ► The electrical properties of the BNKT18 ceramics are improved with the addition of Gd 2 O 3 . ► The BNKT18 ceramics doped with 0.4 wt.% Gd 2 O 3 has better electrical properties. -- Abstract: Gd 2 O 3 (0–0.8 wt.%)-doped 0.82Bi 0.5 Na 0.5 TiO 3 –0.18Bi 0.5 K 0.5 TiO 3 (BNKT18) lead-free piezoelectric ceramics were synthesized by a conventional solid-state process. The effects of Gd 2 O 3 on the microstructure, the dielectric, ferroelectric and piezoelectric properties were investigated. X-ray diffraction (XRD) data shows that Gd 2 O 3 in an amount of 0.2–0.8 wt.% can diffuse into the lattice of BNKT18 ceramics and form a pure perovskite phase. Scanning electron microscope (SEM) images indicate that the grain size of BNKT18 ceramics decreases with the increase of Gd 2 O 3 content; in addition, all the modified ceramics have a clear grain boundary and a uniformly distributed grain size. At room temperature, the ferroelectric and piezoelectric properties of the BNKT18 ceramics have been improved with the addition of Gd 2 O 3 , and the BNKT18 ceramics doped with 0.4 wt.% Gd 2 O 3 have the highest piezoelectric constant (d 33 = 137 pC/N), highest relative dielectric constant (ε r = 1023) and lower dissipation factor (tan δ = 0.044) at a frequency of 10 kHz. The BNKT18 ceramics doped with 0.2 wt.% Gd 2 O 3 have the highest planar coupling factor (k p = 0.2463).

Luminescence and magnetic properties of novel nanoparticle-sheathed 3D Micro-Architectures of Fe0.5R0.5(MoO4)1.5:Ln3+ (R = Gd3+, La3+), (Ln = Eu, Tb, Dy) for bifunctional application

Science.gov (United States)

Krishnan, Rajagopalan; Thirumalai, Jagannathan; Kathiravan, Arunkumar

2015-01-01

For the first time, we report the successful synthesis of novel nanoparticle-sheathed bipyramid-like and almond-like Fe0.5R0.5(MoO4)1.5:Ln3+ (R = Gd3+, La3+), (Ln = Eu, Tb, Dy) 3D hierarchical microstructures through a simple disodium ethylenediaminetetraacetic acid (Na2EDTA) facilitated hydrothermal method. Interestingly, time-dependent experiments confirm that the assembly-disassembly process is responsible for the formation of self-aggregated 3D architectures via Ostwald ripening phenomena. The resultant products are characterized by x-ray diffraction (XRD), field emission scanning electron microscopy (FESEM), high resolution transmission electron microscopy (HRTEM), photoluminescence (PL), and magnetic measurements. The growth and formation mechanisms of the self-assembled 3D micro structures are discussed in detail. To confirm the presence of all the elements in the microstructure, the energy loss induced by the K, L shell electron ionization is observed in order to map the Fe, Gd, Mo, O, and Eu components. The photo luminescence properties of Fe0.5R0.5(MoO4)1.5 doped with Eu3+, Tb3+, Dy3+ are investigated. The room temperature and low temperature magnetic properties suggest that the interaction between the local-fields introduced by the magnetic Fe3+ ions and the R3+ (La, Gd) ions in the dodecahedral sites determine the magnetism in Fe0.5R0.5(MoO4)1.5:Eu3+. This work provides a new approach to synthesizing the novel Fe0.5R0.5(MoO4)1.5:Ln3+ for bi-functional magnetic and luminescence applications.

IRIS Toxicological Review of Hexahydro-1,3,5-Trinitro-1,3,5-Triazine (RDX) (Public Comment Draft)

Science.gov (United States)

EPA is developing an Integrated Risk Information System (IRIS) assessment of hexahydro-1,3,5-trinitro-1,3,5-triazine (RDX) and has released the draft assessment for public comment. When final, the assessment will appear on the IRIS database.

10 CFR 960.5-2-3 - Meteorology.

Science.gov (United States)

2010-01-01

... 10 Energy 4 2010-01-01 2010-01-01 false Meteorology. 960.5-2-3 Section 960.5-2-3 Energy DEPARTMENT OF ENERGY GENERAL GUIDELINES FOR THE PRELIMINARY SCREENING OF POTENTIAL SITES FOR A NUCLEAR WASTE REPOSITORY Preclosure Guidelines Preclosure Radiological Safety § 960.5-2-3 Meteorology. (a) Qualifying...

2,5-Bis[(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctylsulfanyl]-1,3,4-thiadiazole

Directory of Open Access Journals (Sweden)

Gabriel Partl

2017-02-01

Full Text Available The title compound, C18H8F26N2S3, was obtained by double S-perfluorohexylethylation of dipotassium 1,3,4-thiadiazole-2,5-dithiolate in methanol. The molecule exhibits twofold rotational symmetry, with the S atom lying on the rotation axis. The fluorocarbon chains adopt helical conformations and the F atoms of the two terminal C atoms are disordered over two sets of sites. No directional intermolecular interactions occur in the crystal.

High performance Bi0.5Na0.5TiO3-BiAlO3-K0.5Na0.5NbO3 lead-free pyroelectric ceramics for thermal detectors

Science.gov (United States)

Liu, Zhen; Ren, Weijun; Peng, Ping; Guo, Shaobo; Lu, Teng; Liu, Yun; Dong, Xianlin; Wang, Genshui

2018-04-01

Both high pyroelectric properties and good temperature stability of ferroelectric materials are desirable when used for applications in infrared thermal detectors. In this work, we report lead-free ternary 0.97(0.99Bi0.5Na0.5TiO3-0.01BiAlO3)-0.03K0.5Na0.5NbO3 (BNT-BA-KNN) ceramics, which not only exhibits a large pyroelectric coefficient (p ˜ 3.7 × 10-8 C cm-2 K-1) and figures of merit (Fi, Fv, and Fd) but also shows excellent thermal stable properties. At room temperature, Fi, Fv, and Fd are determined as high as 1.32 × 10-10 m/V, 2.89 × 10-2 m2/C, and 1.15 × 10-5 Pa-1/2 at 1 kHz and 1.32 × 10-10 m/V, 2.70 × 10-2 m2/C, and 1.09 × 10-5 Pa-1/2 at 20 Hz, respectively. During the temperature range of RT to 85 °C, the achieved p, Fi, Fv, and Fd do not vary too much. The high depolarization temperature and the undispersed ferroelectric-ergodic relaxor phase transition with a sharp pyroelectric coefficient peak value of ˜400 × 10-8 C cm-2 K-1 are suggested to be responsible for this thermal stability, which ensures reliable actual operation. The results reveal the BNT-BA-KNN ceramics as promising lead-free candidates for infrared thermal detector applications.

Crystal and magnetic study of the disordered perovskites Ca(Mn0.5Sb0.5)O3 and Ca(Fe0.5Sb0.5)O3

International Nuclear Information System (INIS)

Retuerto, M.; Martinez-Lope, M.J.; Garcia-Hernandez, M.; Munoz, A.; Fernandez-Diaz, M.T.; Alonso, J.A.

2010-01-01

We have investigated the double perovskites Ca 2 MSbO 6 (M = Mn, Fe) that have been prepared by solid-state reaction (M = Fe) and wet chemistry procedures (M = Mn). The crystal and magnetic structures have been studied from X-ray (XRD) and neutron powder diffraction (NPD) data. Rietveld refinements show that the crystal structures are orthorhombic (space group Pbnm) with complete disorder of M and Sb cations, so the formula should be rewritten as Ca(M 0.5 Sb 0.5 )O 3 . Due to this disorder no evidences of Jahn-Teller distortion can be observed in the MnO 6 octahedra of Ca(Mn 0.5 Sb 0.5 )O 3 , in contrast with the ordered double perovskite Sr 2 MnSbO 6 . Ca(Fe 0.5 Sb 0.5 )O 3 behaves as an antiferromagnet with an ordered magnetic moment for Fe 3+ of 1.53(4)μ B and a propagation vector k = 0, as investigated by low-temperature NPD. The antiferromagnetic ordering is a result of the high degree of Fe/Sb anti-site disorder of the sample, which originates the spontaneous formation of Fe-rich islands, characterized by the presence of strong Fe-O-Fe antiferromagnetic couplings with enough long-range coherence to produce a magnetic contribution perceptible by NPD. By contrast, the magnetic structure of Ca(Mn 0.5 Sb 0.5 )O 3 cannot be observed by low-temperature NPD because the magnitude of the ordered magnetic moments is below the detection threshold for neutrons.

Crystal structures of (Z-5-[2-(benzo[b]thiophen-2-yl-1-(3,5-dimethoxyphenylethenyl]-1H-tetrazole and (Z-5-[2-(benzo[b]thiophen-3-yl-1-(3,4,5-trimethoxyphenylethenyl]-1H-tetrazole

Directory of Open Access Journals (Sweden)

Narsimha Reddy Penthala

2016-05-01

Full Text Available (Z-5-[2-(Benzo[b]thiophen-2-yl-1-(3,5-dimethoxyphenylethenyl]-1H-tetrazole methanol monosolvate, C19H16N4O2S·CH3OH, (I, was prepared by the reaction of (Z-3-(benzo[b]thiophen-2-yl-2-(3,5-dimethoxyphenylacrylonitrile with tributyltin azide via a [3 + 2]cycloaddition azide condensation reaction. The structurally related compound (Z-5-[2-(benzo[b]thiophen-3-yl-1-(3,4,5-trimethoxyphenylethenyl]-1H-tetrazole, C20H18N4O3S, (II, was prepared by the reaction of (Z-3-(benzo[b]thiophen-3-yl-2-(3,4,5-trimethoxyphenylacrylonitrile with tributyltin azide. Crystals of (I have two molecules in the asymmetric unit (Z′ = 2, whereas crystals of (II have Z′ = 1. The benzothiophene rings in (I and (II are almost planar, with r.m.s deviations from the mean plane of 0.0084 and 0.0037 Å in (I and 0.0084 Å in (II. The tetrazole rings of (I and (II make dihedral angles with the mean planes of the benzothiophene rings of 88.81 (13 and 88.92 (13° in (I, and 60.94 (6° in (II. The dimethoxyphenyl and trimethoxyphenyl rings make dihedral angles with the benzothiophene rings of 23.91 (8 and 24.99 (8° in (I and 84.47 (3° in (II. In both structures, molecules are linked into hydrogen-bonded chains. In (I, these chains involve both tetrazole and methanol, and are parallel to the b axis. In (II, molecules are linked into chains parallel to the a axis by N—H...N hydrogen bonds between adjacent tetrazole rings.

Magnetic behaviour of hydrogenated La_0_._5Ca_0_._5MnO_3

International Nuclear Information System (INIS)

Lal, Ganesh; Punia, Khushboo; Kumar, Sudhish; Jyoti; Dolia, S.N.

2016-01-01

The half doped manganite La_0_._5Ca_0_._5MnO_3 have attracted considerable attention owing to its complex electrical and magnetic properties. This work is focused on the effects of hydrogenation on the magnetic behaviour of La_0_._5Ca_0_._5MnO_3. For hydrogenation the La_0_._5Ca_0_._5MnO_3 sample was annealed in a hydrogen atmosphere at 600°C for 6 hours in a reduction furnace and for reducing hydrogen the sample was heated in air at 600°C for 6 hours in a chamber furnace. Room temperature X-ray diffraction studies confirmed that the hydrogenation and annealing of the sample in air does not affect the single phase orthorhombic structure of La_0_._5Ca_0_._5MnO_3. These observations indicate that magnetic behaviour of La_0_._5Ca_0_._5MnO_3. can be tailored by hydrogenation

(NS5-brane, D5-brane, D3-brane) bound state, open D3-brane, open D5-brane limits, and SL(2,Z) duality

International Nuclear Information System (INIS)

Mitra, Indranil; Roy, Shibaji

2002-01-01

We generalize the nonthreshold bound state in type IIB supergravity of the form (NS5-brane, D5-brane, D3-brane) constructed by the present authors [J. High Energy Phys. 02, 026 (2001)] to a nonzero asymptotic value of the axion (χ 0 ). We identify the decoupling limits corresponding to both the open D3-brane theory and open D5-brane theory for this supergravity solution as expected. However, we do not find any noncommutative Yang-Mills theory (NCYM) limit for this solution in the presence of NS5-branes. We then study the SL(2,Z) duality symmetry of type IIB theory for both open D3-brane (OD3) limit and open D5-brane (OD5) limit. We find that for OD3 theory, a generic SL(2,Z) duality always gives another OD3 theory irrespective of the value of χ 0 being rational or not. This indicates that OD3 theory is self-dual. But, under a special set of SL(2,Z) transformations for which χ 0 is rational, OD3 theory goes over to a (5+1)-dimensional NCYM theory and these two theories in this case are related to each other by strong-weak duality symmetry. On the other hand, for OD5 theory, a generic SL(2,Z) duality gives another OD5 theory if χ 0 is irrational, but when χ 0 is rational it gives the little string theory limit indicating that OD5 theory is S dual to the type IIB little string theory

Structural and Moessbauer Effect Studies of 0.5Bi0.95Dy0.05FeO3-0.5Pb(Fe2/3W1/3)O3 Multiferroic

International Nuclear Information System (INIS)

Stoch, A.; Zachariasz, P.; Stoch, P.; Kulawik, J.; Maurin, J.

2011-01-01

A polycrystalline ceramic of 0.5Bi 0.95 Dy 0.05 FeO 3 -0.5Pb(Fe 2/3 W 1/3 )O 3 was synthesized from a solid-state reaction method. At room temperature material exhibits both magnetic and electric dipolar properties simultaneously. Detailed X-ray diffraction analysis and Moessbauer effect studies have been done to determine the crystallographic structure and magnetic properties of 0.5Bi 0.95 Dy 0.05 FeO 3 -0.5Pb(Fe 2/3 W 1/3 )O 3 . T N temperature was estimated at around 600 K. (authors)

IRIS Toxicological Review of Hexahydro-1,3,5-Trinitro-1,3,5-Triazine (RDX) (External Review Draft)

Science.gov (United States)

The IRIS Toxicological Review of Hexahydro-1,3,5-trinitro-1,3,5-triazine (RDX) was released for external peer review in September 2016. The EPA’s Science Advisory Board’s (SAB) Chemical Assessment Advisory Committee (CAAC) will conduct a peer review of the scientific basis suppor...

(1−x)[(K$_{0.5}$Na$_{0.5}$)NbO$_3$–LiSbO$_3

Indian Academy of Sciences (India)

Lead-free piezoelectric ceramics ( 1 − x ) [0.95(K 0.5 Na 0.5 )NbO 3 –0.05LiSbO 3 ]– x BiFe 0.8 Co 0.2 O 3 (KNN–LS– x BFC) were prepared by a conventional sintering technique. The effect of BFC content on the structure, piezoelectricand electrical properties of KNN–LS ceramics was investigated. The results reveal that ...

Comparative study of phase structure and dielectric properties for K0.5Bi0.5TiO3-BiAlO3 and LaAlO3-BiAlO3

International Nuclear Information System (INIS)

Hou, Yudong; Zheng, Mupeng; Si, Meiju; Cui, Lei; Zhu, Mankang; Yan, Hui

2013-01-01

In this work, two perovskite-type compounds, K 0.5 Bi 0.5 TiO 3 and LaAlO 3 , have been selected as host material to incorporate with BiAlO 3 using a solid-state reaction route. The phase evolution and dielectric properties for both systems have been investigated in detail. For the K 0.5 Bi 0.5 TiO 3 -BiAlO 3 system, it is interesting to find that when using Bi 2 O 3 , Al 2 O 3 , K 2 CO 3 , and TiO 2 as starting materials, the formed compounds are K 0.5 Bi 0.5 TiO 3 -K 0.5 Bi 4.5 Ti 4 O 15 and Al 2 O 3 only plays a dopant role. There are two distinct dielectric peaks appearing in the patterns of temperature dependence of dielectric constant, corresponding to the phase-transition points of perovskite-type K 0.5 Bi 0.5 TiO 3 and Aurivillius-type K 0.5 Bi 4.5 Ti 4 O 15 , independently. In comparison, using Bi 2 O 3 , Al 2 O 3 , and La 2 O 3 as starting materials, the pure perovskite phase LaAlO 3 -BiAlO 3 can be obtained. Compared to the inherent paraelectric behavior in LaAlO 3 , the diffuse phase-transition phenomena can be observed in the LaAlO 3 -BiAlO 3 binary system, which corresponds well to the Vogel-Fulcher (VF) relationship. Moreover, compared to pure LaAlO 3 , the synthesized LaAlO 3 -BiAlO 3 compound shows enhanced dielectric properties, which are promising in application as gate dielectric materials. (copyright 2013 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

3-Ethyl-5-(4-methoxyphenoxy-2-(pyridin-4-yl-3H-imidazo[4,5-b]pyridine

Directory of Open Access Journals (Sweden)

S. Ranjith

2011-07-01

Full Text Available In the title compound, C20H18N4O2, the imidazopyridine fused ring system is almost perpendicular to the benzene ring [dihedral angle = 87.6 (5°]. The pyridine ring makes a dihedral angle of 35.5 (5° with the mean plane of the imidazopyridine fragment. The crystal structure is stabilized by an aromatic π–π stacking interaction between the phenyl rings of neighbouring molecules [centroid–centroid distance = 3.772 (2 Å, interplanar distance = 3.546 (2 Å and slippage = 1.286 (2 Å].

Synthesis and optical properties of new 5'-aryl-substituted 2,5-bis(3-decyl-2,2'-bithiophen-5-yl-1,3,4-oxadiazoles

Directory of Open Access Journals (Sweden)

Anastasia S. Kostyuchenko

2017-02-01

Full Text Available New photoluminescent donor–acceptor–donor (DAD molecules, namely 5'-aryl-substituted 2,5-bis(3-decyl-2,2'-bithiophen-5-yl-1,3,4-oxadiazoles were prepared by palladium-catalyzed coupling from readily available compounds such as ethyl 3-decyl-2,2'-bithiophene-5-carboxylate and aryl halides. The obtained compounds feature increasing bathochromic shifts in their emission spectra with increasing aryl-substituent size yielding blue to bluish-green emissions. At the same time, their absorption spectra are almost independent from the identity of the terminal substituent with λmax values ranging from 395 to 405 nm. The observed trends are perfectly predicted by quantum chemical DFT/TDDFT calculations carried out for these new molecules.

Effect of Al2O3 on the sintering of garnet-type Li6.5La3Zr1.5Ta0.5O12

Energy Technology Data Exchange (ETDEWEB)

Wang, Yuxing; Yan, Pengfei; Xiao, Jie; Lu, Xiaochuan; Zhang, Ji-Guang; Sprenkle, Vincent L.

2016-10-01

It is widely recognized that Al plays a dual role in the fabrication of garnet-type solid electrolytes, i.e., as a dopant that stabilizes the cubic structure and a sintering aid that facilitates the densification. However, the sintering effect of Al2O3 has not been well understood so far because Al is typically “unintentionally” introduced into the sample from the crucible during the fabrication process. In this study, we have investigated the sintering effect of Al on the phase composition, microstructure, and ionic conductivity of Li6.5La3Zr1.5Ta0.5O12 by using an Al-free crucible and intentionally adding various amounts of γ-Al2O3. It was found that the densification of Li6.5La3Zr1.5Ta0.5O12 occurred via liquid-phase sintering, with evidence of morphology change among different compositions. Among all of the compositions, samples with 0.05 mol of Al per unit formula of garnet oxide (i.e., 0.3 wt% Al2O3) exhibited the optimal microstructure and the highest total ionic conductivity of 5 10-4 S cm-1 at room temperature.

Combustion synthesis and characterization of MV0.5P0.5O4: Sm3+, Tm3+ (M = Gd, La, Y)

Science.gov (United States)

Motloung, Selepe J.; Lephoto, Mantwa A.; Tshabalala, Kamohelo G.; Ntwaeaborwa, Odireleng M.

2018-04-01

In this paper, GdV0.5P0.5O4: Sm3+, Tm3+, LaV0.5P0.5O4: Sm3+, Tm3+ and YV0.5P0.5O4: Sm3+, Tm3+ phosphor powders were prepared by solution combustion method using urea as a fuel. The phase purity, surface morphology, optical and photoluminescence properties were investigated by X-ray diffraction (XRD), scanning electron microscopy (SEM), UV-vis spectroscopy and photoluminescence spectroscopy. The XRD results indicated that the prepared powders are of a single phase and crystallized in tetragonal structure for Gd and Y systems while monoclinic phase was observed for La system. SEM showed that the samples consisted of mixed structures. The estimated band gaps were 2.2, 2.4 and 2.3 eV for Y, Gd and La systems respectively. The photoluminescence results showed four emission peaks. One peak is assigned to 1G4 - 3H6 transition of Tm3+, and three other emission peaks are attributed to 6G5/2 - 6H5/2, 6G5/2 - 6H7/2 and 6G5/2 - 6H9/2 transitions of Sm3+. The photoluminescent intensity was the highest in the gadolinium system.

HTML5 and CSS3 for dummies

CERN Document Server

Karlins , David

2013-01-01

Learn to create powerful and unique websites with HTML5 and CSS3 HTML5 and CSS3 have ushered in an entirely new era in web development and web design. This easy-to-understand full-color guide presents the elements of design and development as equal; therefore, both designers and developers will benefit from learning how to leverage the power behind HTML5 and CSS3. The two-page spreads and helpful insight show you how to use HTML5 and CSS3 in conjunction in order to create websites that possess both powerful function and beautiful design. Incorporates all the trademark elements of the For Dumm

5,5-Dimethyl-2-methylseleno-1,3,2-dioxaphosphorinan-2-one

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Grzegorz Cholewinski

2010-04-01

Full Text Available The title compound, C6H13O3PSe, was obtained in the reaction of 5,5-dimethyl-2-oxo-2-seleno-1,3,2-dioxaphosphorinane potassium salt with methyl iodide. The selenomethyl group is in the axial position in relation to the six-membered dioxaphosphorinane ring.

SGK3 Sensitivity of Voltage Gated K+ Channel Kv1.5 (KCNA5

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Musaab Ahmed

2016-01-01

Full Text Available Background: The serum & glucocorticoid inducible kinase isoform SGK3 is a powerful regulator of several transporters, ion channels and the Na+/K+ ATPase. Targets of SGK3 include the ubiquitin ligase Nedd4-2, which is in turn a known regulator of the voltage gated K+ channel Kv1.5 (KCNA5. The present study thus explored whether SGK3 modifies the activity of the voltage gated K+ channel KCNA5, which participates in the regulation of diverse functions including atrial cardiac action potential, activity of vascular smooth muscle cells, insulin release and tumour cell proliferation. Methods: cRNA encoding KCNA5 was injected into Xenopus oocytes with and without additional injection of cRNA encoding wild-type SGK3, constitutively active S419DSGK3, inactive K191NSGK3 and/or wild type Nedd4-2. Voltage gated K+ channel activity was quantified utilizing dual electrode voltage clamp. Results: Voltage gated current in KCNA5 expressing Xenopus oocytes was significantly enhanced by wild-type SGK3 and S419DSGK3, but not by K191NSGK3. SGK3 was effective in the presence of ouabain (1 mM and thus did not require Na+/K+ ATPase activity. Coexpression of Nedd4-2 decreased the voltage gated current in KCNA5 expressing Xenopus oocytes, an effect largely reversed by additional coexpression of SGK3. Conclusion: SGK3 is a positive regulator of KCNA5, which is at least partially effective by abrogating the effect of Nedd4-2.

Dielectric and Ferroelectric Properties of SrTiO3-Bi0.5Na0.5TiO3-BaAl0.5Nb0.5O3 Lead-Free Ceramics for High-Energy-Storage Applications.

Science.gov (United States)

Yan, Fei; Yang, Haibo; Lin, Ying; Wang, Tong

2017-11-06

Pulsed capacitors require high-recoverable energy-storage density (W rec ) and high energy-storage efficiency (η), which can be realized through the selection and adjustment of the composition. In this work, (1 - x)SrTiO 3 -x(0.95Bi 0.5 Na 0.5 TiO 3 -0.05BaAl 0.5 Nb 0.5 O 3 ) [(1 - x)ST-x(BNT-BAN)] ceramics were successfully prepared via the pressureless solid-state reaction method. The dielectric constant increases gradually with the introduction of BNT-BAN and obtains a maximum value of 3430 with the composition of 0.4ST-0.6(BNT-BAN) at 100 Hz, which is 10.39 times higher than that of the pure ST sample (∼330). Dispersive relaxor behaviors and ferroelectric performances can be enhanced with the introduction of BNT-BAN. The composition of 0.5ST-0.5(BNT-BAN) exhibits a high W rec of 1.89 J/cm 3 as well as a high η of 77%. Therefore, the (1 - x)ST-x(BNT-BAN) systems are candidate materials for pulsed capacitor applications.

Pressure effects on some argon spectral lines belonging to the 3p54p-3p5nd (n=5-7) transitions

International Nuclear Information System (INIS)

Wolnikowski, J.; Wawrzynski, J.; Bielski, A.; Szudy, J.

1987-01-01

Low pressure broadening and shift of four spectral lines of argon: 518.7 nm (3p 5 4p-3p 5 5d'), 522.1 nm (3p 5 4p-3p 5 7d), 549.6 nm (3p 5 4p-3p 5 6d) and 603.2 nm (3p 5 4p-3p 5 5d) have been investigated by means of a Fabry-Perot interferometer. The values of the pressure broadening and shift coefficients for argon-argon, argon-neon and argon-helium interactions in the low-current glow discharge conditions are determined. For all lines in the pure argon a red shift and in the argon-neon and argon-helium mixtures a blue shift has been found. The results cannot be interpreted on the basis of the existing simple interaction potential models within the framework of the adiabatic impact broadening theory. (orig.)

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

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Yordanka Ivanova

2016-09-01

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

Local magnetic properties of multiferroic Nd0.5Gd0.5Fe3(BO3)4 in the excited states of Nd3+ ion

International Nuclear Information System (INIS)

Malakhovskii, A.V.; Gnatchenko, S.L.; Kachur, I.S.; Piryatinskaya, V.G.; Sukhachev, A.L.; Temerov, V.L.

2015-01-01

Polarized absorption spectra of single-crystal Nd 0.5 Gd 0.5 Fe 3 (BO 3 ) 4 were studied in the region of the transition 4 I 9/2 →( 4 G 5/2 + 2 G 7/2 ) in Nd 3+ ion as a function of temperature (2–34 K) and magnetic field (0–65 kOe). The spectra of natural circular dichroism were measured in the range of 5–40 K. It was found out that the local magnetic properties in the vicinity of the excited ion substantially depended on its state. In particular, a weak ferromagnetic moment appears in some excited states. It was found out that the selection rules for electron transitions in the magnetically ordered state substantially deviated from those in the paramagnetic state of the crystal. They are different for different transitions and they are very sensitive to the orientation of the sublattice magnetic moment relative to the light polarization. In the spectrum of the natural circular dichroism, the transition is revealed which is not observed in the absorption spectrum. - Highlights: • Temperature and field dependences of f-f transitions in Nd 0.5 Gd 0.5 Fe 3 (BO 3 ) 4 . • Natural circular dichroism in Nd 0.5 Gd 0.5 Fe 3 (BO 3 ) 4 below T N . • Weak ferromagnetic moment was identified in some excited 4f states. • Selection rules for f-f transitions substantially change below T N . • Intensities of f-f transitions strongly depend on magnetic moment orientation

Eu3+-doped (Y0.5La0.5)2O3: new nanophosphor with the bixbyite cubic structure

Science.gov (United States)

Đorđević, Vesna; Nikolić, Marko G.; Bartova, Barbora; Krsmanović, Radenka M.; Antić, Željka; Dramićanin, Miroslav D.

2013-01-01

New red sesquioxide phosphor, Eu3+-doped (Y0.5La0.5)2O3, was synthesized in the form of nanocrystalline powder with excellent structural ordering in cubic bixbyite-type, and with nanoparticle sizes ranging between 10 and 20 nm. Photoluminescence measurements show strong, Eu3+ characteristic, red emission ( x = 0.66 and y = 0.34 CIE color coordinates) with an average 5D0 emission lifetime of about 1.3 ms. Maximum splitting of the 7F1 manifold of the Eu3+ ion emission behaves in a way directly proportional to the crystal field strength parameter, and experimental results show perfect agreement with theoretical values for pure cubic sesquioxides. This could be used as an indicator of complete dissolution of Y2O3 and La2O3, showing that (Y0.5La0.5)2O3:Eu3+ behaves as a new bixbyite structure oxide, M2O3, where M acts as an ion having average ionic radius of constituting Y3+ and La3+. Emission properties of this new phosphor were documented with detailed assignments of Eu3+ energy levels at 10 K and at room temperature. Second order crystal field parameters were found to be B 20 = -66 cm-1 and B 22 = -665 cm-1 at 10 K and B 20 = -78 cm-1 and B 22 = -602 cm-1 at room temperature, while for the crystal field strength the value of 1495 cm-1 was calculated at 10 K and 1355 cm-1 at room temperature.

PC communication world and Yiyagi 5.3

International Nuclear Information System (INIS)

1992-11-01

This book is comprised of four parts about Yiyagi 5.3. It describes how to use Yiyagi 5.3 : the way to save 5.3 into floppy disk and Hard disk, to store modem, how to communicate with Hitel and PC-serve in the first part, how to use the various function : function key, control key, alt key, text editor of Yiyagi 5.3 and mouse in the second part, to be good at using communication : Modem, screen control, RS-232C and Null Modem, script and Multitasking in the third part. It has an appendix about compression and decompression of file, BBS list, PC application such as VGA graphic, UNIX/ XENIX and DOS, RS-232C and Modem and GR.exe.

(3Z-5-Chloro-3-(hydroxyiminoindolin-2-one

Directory of Open Access Journals (Sweden)

Bianca Barreto Martins

2016-10-01

Full Text Available In the title compound, C8H5ClN2O2 (common name: 5-chloroisatin 3-oxime, the molecular structure deviates slightly from the ideal planarity, with a maximum deviation of 0.0478 (8 Å for the non-H atoms. In the crystal, molecules are linked by N—H...O interactions, building centrosymmetric dimers with graph-set motif R22(8. Additionally, the molecules are connected by pairs of O—H...O interactions into chains along [100] with a C(6 motif. The hydrogen-bonded dimers and chains build a two-dimensional network parallel to (100. The packing also features π–π stacking interactions between benzene rings [centroid–centroid distance = 3.748 (2 Å].

Eff icient energy back transfer from Ce{sup 3+} 5d state to Pr{sup 3+} {sup 1}D{sub 2} level in Lu{sub 3}Al{sub 5}O{sub 12} upon Pr{sup 3+} 4f5d excitation

Energy Technology Data Exchange (ETDEWEB)

Dan Wu [State Key Laboratory of Luminescence and Applications, Changchun Institute of Optics, Fine Mechanics and Physics, Chinese Academy of Sciences, Changchun 130033, Jilin (China); University of Chinese Academy of Sciences, Beijing 100049 (China); Hao, Zhendong; Zhang, Xia; Pan, Guo-Hui; Luo, Yongshi; Zhang, Ligong; Zhao, Haifeng [State Key Laboratory of Luminescence and Applications, Changchun Institute of Optics, Fine Mechanics and Physics, Chinese Academy of Sciences, Changchun 130033, Jilin (China); Zhang, Jiahua, E-mail: zhangjh@ciomp.ac.cn [State Key Laboratory of Luminescence and Applications, Changchun Institute of Optics, Fine Mechanics and Physics, Chinese Academy of Sciences, Changchun 130033, Jilin (China)

2017-06-15

The step energy transfers from Pr{sup 3+} 4f5d state to Ce{sup 3+} 5d state followed by energy back transfer from Ce{sup 3+} 5d state to Pr{sup 3+} {sup 1}D{sub 2} level are studied. The Ce{sup 3+}→Pr{sup 3+} energy back transfer upon Pr{sup 3+} 4f5d excitation is found to be more efficient than the normal Ce{sup 3+}→Pr{sup 3+} energy transfer upon Ce{sup 3+} 5d excitation. The efficient energy back transfer is attributed to preferential excitation of the Ce{sup 3+} ion with an adjacent Pr{sup 3+} surrounding in Pr{sup 3+}→Ce{sup 3+} energy transfer of the first step, whereas Ce{sup 3+} is excited randomly in the normal energy transfer. The efficiencies of Ce{sup 3+}→Pr{sup 3+} energy back transfer as a function of Ce{sup 3+} and Pr{sup 3+} concentration are evaluated, respectively.

SEAscan 3.5: A simulator performance analyzer

International Nuclear Information System (INIS)

Dennis, T.; Eisenmann, S.

1990-01-01

SEAscan 3.5 is a personal computer based tool developed to analyze the dynamic performance of nuclear power plant training simulators. The system has integrated features to provide its own human featured performance. In this paper, the program is described as a tool for the analysis of training simulator performance. The structure and operating characteristics of SEAscan 3.5 are described. The hardcopy documents are shown to aid in verification of conformance to ANSI/ANS-3.5-1985

Effect of two major N-nitroso hexahydro-1,3,5-trinitro-1,3,5-triazine (RDX) metabolites on earthworm reproductive success

International Nuclear Information System (INIS)

Zhang Baohong; Cox, Stephen B.; McMurry, Scott T.; Jackson, W. Andrew; Cobb, George P.; Anderson, Todd A.

2008-01-01

Soil and topical tests were employed to investigate the effect of two N-nitroso metabolites of RDX (hexahydro-1,3,5-trinitro-1,3,5-triazine) on earthworm reproduction. The lowest observed effect concentration (LOEC) for cocoon production and hatching was 50 mg/kg for both hexahydro-1-nitroso-3,5-dinitro-1,3,5-triazine (MNX) and hexahydro-1,3,5-trinitroso-1,3,5-triazine (TNX) in soil. MNX and TNX also significantly affected cocoon hatching in soil (p 20 values for MNX were 8.7 and 8.8 mg/kg for cocoon and juvenile production, respectively, compared to 9.2 and 9.1 mg/kg for TNX, respectively. The EC 20 values for the total number of cocoon hatchlings were 3.1 and 4.7 mg/kg for MNX and TNX, respectively, in soil and 4.5 and 3.1 mg/L in the topical test. Both MNX and TNX inhibited cocoon production and hatching, suggesting that they may have a negative affect on soil ecosystems at contaminated sites. - RDX metabolites affect earthworm cocoon production and hatching

BiFeO3-doped (Na0.5K0.5NbO3 lead-free piezoelectric ceramics

Directory of Open Access Journals (Sweden)

Xueyi Sun et al

2008-01-01

Full Text Available Lead-free piezoelectric ceramics (1−x(Na0.5K0.5NbO3-xBiFeO3 (x=0~0.07 were synthesized by the solid-state reaction. Differential scanning calorimetry (DSC measurements revealed that an increase in the amount of BiFeO3 dopant resulted in a decrease in the orthorhombic-tetragonal and tetragonal-cubic phase transition temperature of the material. One percent BiFeO3 additive suppressed grain growth, which not only benefits the sintering of ceramics but also enhances the piezoelectric and ferroelectric properties, where d33=145pC/N, kp=0.31, Qm=80, Pr=11.3 μC cm−2 and Ec=16.5 kV cm−1. As xBF>0.01, both piezoelectric and ferroelectric properties decreased rapidly with an increasing amount of dopant.

Some reactions of hydrotris(3,5-dimethylpyrazolyl)-borato trichloroactinides(IV), MCl/sub 3/(HBL/sub 3/). THF (M=Th/sup IV/, U/sup IV/; L=3,5-dimethylpyrazolyl, THF=tetrahydrofuran)

Energy Technology Data Exchange (ETDEWEB)

Marcalo, J; Marques, N; Pires de Matos, A; Bagnall, K W

1986-08-01

The thorium(IV) and uranium(IV) compounds MCl/sub 2/(Cp)(HBL/sub 3/) (Cp=eta/sup 5/-C/sub 5/H/sub 5/), MCl/sub 2/(N(SiMe/sub 3/)/sub 2/)(HBL/sub 3/) and M(NPh/sub 2/)/sub 3/(HBL/sub 3/) have been prepared from MCl/sub 3/(HBL/sub 3/).THF. IR, near-IR-visible, /sup 1/H NMR and /sup 11/B NMR spectra are reported for these compounds.

Delayed myelosuppression with acute exposure to hexahydro-1,3,5-trinitro-1,3,5-triazine (RDX) and environmental degradation product hexahydro-1-nitroso-3,5-dinitro-1,3,5-triazine (MNX) in rats

Energy Technology Data Exchange (ETDEWEB)

Jaligama, Sridhar; Kale, Vijay M.; Wilbanks, Mitchell S. [Department of Toxicology, College of Pharmacy, University of Louisiana at Monroe, Monroe, LA 71209 (United States); Perkins, Edward J. [US Army Engineer Research and Development Center, Vicksburg, MS 39180 (United States); Meyer, Sharon A., E-mail: meyer@ulm.edu [Department of Toxicology, College of Pharmacy, University of Louisiana at Monroe, Monroe, LA 71209 (United States)

2013-02-01

Hexahydro-1,3,5-trinitro-1,3,5-triazine (RDX), a widely used munitions compound, and hexahydro-1-nitroso-3,5-dinitro-1,3,5-triazine (MNX), its N-nitroso product of anaerobic microbial nitroreduction, are contaminants of military sites. Previous studies have shown MNX to be the most acutely toxic among the nitroreduced degradation products of RDX and to cause mild anemia at high dose. The present study compares hematotoxicity with acute oral exposure to MNX with parent RDX. Both RDX and MNX caused a modest decrease in blood hemoglobin and ∼ 50% loss of granulocytes (NOAELs = 47 mg/kg) in female Sprague–Dawley rats observed 14 days post-exposure. We explored the possibility that blood cell loss observed after 14 days was delayed in onset because of toxicity to bone marrow (BM) progenitors. RDX and MNX decreased granulocyte/macrophage-colony forming cells (GM-CFCs) at 14, but not 7, days (NOAELs = 24 mg/kg). The earliest observed time at which MNX decreased GM-CFCs was 10 days post-exposure. RDX and MNX likewise decreased BM burst-forming units-erythroid (BFU-Es) at 14, but not 7, days. Granulocyte–erythrocyte–monocyte–megakaryocyte (GEMM)-CFCs were unaffected by RDX and MNX at 7 days suggesting precursor depletion did not account for GM-CFC and BFU-E loss. MNX added to the culture media was without effect on GM-CFC formation indicating no direct inhibition. Flow cytometry showed no differential loss of BM multilineage progenitors (Thy1.1{sup +}) or erythroid (CD71{sup +}) precursors with MNX suggesting myeloid and erythroid lineages were comparably affected. Collectively, these data indicate that acute exposure to both RDX and MNX caused delayed suppression of myelo- and erythropoiesis with subsequent decrease of peripheral granulocytes and erythrocytes. Highlights: ► Acute oral exposure to munitions RDX causes myelosuppression. ► Environmental degradation product MNX is comparable in effect. ► RDX and MNX are cytotoxic to both myeloid and erythroid

5 CFR 2500.3 - Original classification.

Science.gov (United States)

2010-01-01

... 5 Administrative Personnel 3 2010-01-01 2010-01-01 false Original classification. 2500.3 Section... SECURITY REGULATION § 2500.3 Original classification. No one in the Office of Administration has been granted authority for original classification of information. ...

Effects of 5,5'-diphenylhydantoin on thyroxine and 3,5,3'-triiodothyronine concentrations in several tissues of the rat

International Nuclear Information System (INIS)

Schroeder-van der Elst, J.Pv.; van der Heide, D.

1990-01-01

We studied the effect of 5,5'-diphenylhydantoin (phenytoin, DPH) on the metabolism of thyroid hormones, the intracellular concentration of T4, and the source and concentration of T3. Two groups of six male Wistar rats received a continuous infusion of 10 ml saline/rat. day. One group received DPH in their food (50 mg/kg BW) for 20 days. For both groups [125I]T4 and [131I]T3 were added to the infusion fluid for the last 10 and 7 days, respectively. At isotopic equilibrium the rats were bled and perfused. Compared to the controls, plasma T4 and T3 in the DPH group were reduced (22% and 31%, respectively); TSH did not change. The rate of production of T4 and the plasma appearance rate for T3 were decreased. Thyroidal T3 production was markedly reduced. From the increased [125I]T3/[125I]T4 ratio for plasma, it follows that total body conversion was enhanced. The tissue T4 concentrations decreased in parallel with the plasma T4 level. Total T3 was reduced in all organs. In tissues in which local conversion does not occur, i.e. heart and muscle, the decrease reflected the decrease in plasma T3. In the liver both plasma-derived T3 and locally produced T3 were diminished. In cerebellum and brain the plasma-derived T3 pool was even smaller than was expected from the decrease in plasma T3. This was partly compensated by an increase in local conversion. Only for these two organs was the decrease in the tissue/plasma ratio for [131I]T3 significant. Our results suggest tissue hypothyroidism, caused by a decrease in the production of T4 and T3, which is partly compensated by increased conversion in several organs. The transport of T3 into cerebellum and brain is disturbed, which can be attributed to the mode of action of DPH

IRIS Toxicological Review of Hexahydro-1,3,5-Trinitro-1,3,5-Triazine (RDX) (Interagency Science Consultation Draft)

Science.gov (United States)

On March 10, 2016, the public comment draft Toxicological Review of Hexahydro-1,3,5-trinitro-1,3,5-triazine and the draft charge to external peer reviewers were released for public review and comment. The Toxicological Review and charge were reviewed internally by EPA and by othe...

Study of the neutron-rich nuclei with N=21, sup 3 sup 5 Si and sup 3 sup 3 Mg, by beta decay of sup 3 sup 5 Al and sup 3 sup 3 Na

CERN Document Server

Nummela, S; Caurier, E; Courtin, S; Dessagne, P; Holmlund, E; Jokinen, A; Knipper, A; Le Scornet, G; Mieh, C; Nowacki, F; Lyapin, L G; Oinonen, M; Poirier, E; Radivojevic, Z; Ramdhane, M; Trzaska, W H; Walter, G; Äystö, J

2002-01-01

The first information on the level structure of the N=21 nuclei, sup 3 sup 5 Si and sup 3 sup 3 Mg, has been obtained by the beta decay study of sup 3 sup 5 Al and sup 3 sup 3 Na, produced by fragmentation of an UC target with 1.4 GeV protons at CERN/ISOLDE. The experimental technique involved beta-gamma, beta-gamma-gamma, and beta-n-gamma coincidences, neutron spectra being obtained by time of flight measurements. Gamma detection was made either using large Ge counters or small BaF sub 2 scintillators (for lifetime measurements). In the case of the sup 3 sup 5 Al decay, (T sub 1 sub / sub 2 =41.6(2.2) ms), a simple structure has been found for the level scheme of sup 3 sup 5 Si (Z=14, N=21) which has been interpreted with the level sequence : 7/2 sup - , 3/2 sup - and 3/2 sup + corresponding respectively to the ground state and the states at 910 and 974 keV. The life-time of the 974 keV [T sub 1 sub / sub 2 =5.9(6) ns] is found consistent with the proposed level scheme and multipolarities. The investigation ...

Luminescence of Ce3+ ions in Y3Al5O12 - Y3Ga5O12 solid solution

International Nuclear Information System (INIS)

Zorenko, Yu.V.; Nazar, I.V.; Limarenko, L.N.; Pashkovskij, M.V.

1996-01-01

Regularities of changes in spectral and energetic characteristics of the Ce 3+ ions radiation in the Y 3 Al 5-x Ga x O 12 solid solutions, related to change in the matrix crystal field force and dissipation of the luminescence excitation energy because of transfers between the valency zone ceiling and the Ce 3+ excited ion basis state are obtained. 9 refs., 3 figs., 1 tab

Ethylbenzene dehydrogenation over Mg3Fe0.5−xCoxAl0.5 catalysts derived from hydrotalcites: Comparison with Mg3Fe0.5−yNiyAl0.5 catalysts

KAUST Repository

Atanda, Luqman A.; Balasamy, Rabindran J.; Khurshid, Alam; Al-Ali, Ali A S; Sagata, Kunimasa; Asamoto, Makiko; Yahiro, Hidenori; Nomura, Kiyoshi; Sano, Tsuneji; Takehira, Katsuomi; Al-Khattaf, Sulaiman S.

2011-01-01

A series of Mg3Fe0.5-xCoxAl0.5 (x = 0-0.5) catalysts were prepared from hydrotalcite precursors and their activities in the dehydrogenation of ethylbenzene were compared with those of a series of Mg3Fe0.5-yNiyAl0.5 (y = 0-0.5) catalysts also derived

Long lasting yellow phosphorescence and photostimulated luminescence in Sr3SiO5 : Eu2+ and Sr3SiO5 : Eu2+, Dy3+ phosphors

International Nuclear Information System (INIS)

Sun Xiaoyuan; Zhang Jiahua; Zhang Xia; Luo Yongshi; Wang Xiaojun

2008-01-01

We report the observation of long lasting yellow phosphorescence and photostimulated luminescence (PSL) in Sr 3 SiO 5 : Eu 2+ and Sr 3 SiO 5 : Eu 2+ , Dy 3+ phosphors. The decay patterns of phosphorescence and thermoluminescence curves demonstrate that introduction of Dy 3+ into Sr 3 SiO 5 : Eu 2+ can generate a large number of shallow traps and deep traps. The generated deep traps prolong the phosphorescence up to 6 h after UV irradiation. The PSL is studied under 808 nm excitation. Slow rising and falling edges of the emission in Sr 3 SiO 5 : Eu 2+ , Dy 3+ are observed, showing a retrapping process by the generated shallow traps due to co-doping Dy 3+ .

Metabolism of 1,2,3,4-, 1,2,3,5-, and 1,2,4,5-tetrachlorobenzene in the squirrel monkey

International Nuclear Information System (INIS)

Schwartz, H.; Chu, I.; Villeneuve, D.C.; Benoit, F.M.

1987-01-01

The metabolism of three tetrachlorobenzene isomers (TeCB) was investigated in the squirrel monkey. The animals were administered orally 6 single doses of 14 C-labeled 1,2,3,4-, 1,2,4,5-, or 1,2,3,5-tetrachlorobenzene over a 3-wk period at levels ranging from 50 to 100 mg/kg body weight (b.w) and kept in individual metabolism cages to collect urine and feces for radioassay. Approximately 38% (1,2,3,4-TeCB), 36% (1,2,3,5-TeCB), and 18% (1,2,4,5-TeCB) of the doses were excreted respectively in the feces 48 h post administration. In monkeys dosed with 1,2,3,4-TeCB, unchanged compound accounted for 50% of the fecal radioactivity. Unchanged compound accounted for more than 50% of the fecal radioactivity found in the monkeys dosed with 1,2,3,5-TeCB. The fecal metabolites were identified in both groups. No metabolites were detected in the feces of monkeys dosed with 1,2,4,5-TeCB. While the fecal route represented the major route of excretion for 1,2,3,4-TeCB, the other two isomers were eliminated exclusively in the feces. The above data in the squirrel monkey are different from those obtained with the rat and the rabbit, and demonstrate the different metabolic pathways for the isomers

Synthesis and antitumoral activity of novel 3-(2-substituted-1,3,4-oxadiazol-5-yl) and 3-(5-substituted-1,2,4-triazol-3-yl) beta-carboline derivatives.

Science.gov (United States)

Formagio, Anelise S Nazari; Tonin, Lilian T Düsman; Foglio, Mary Ann; Madjarof, Christiana; de Carvalho, João Ernesto; da Costa, Willian Ferreira; Cardoso, Flávia P; Sarragiotto, Maria Helena

2008-11-15

Several novel 1-substituted-phenyl beta-carbolines bearing the 2-substituted-1,3,4-oxadiazol-5-yl and 5-substituted-1,2,4-triazol-3-yl groups at C-3 were synthesized and evaluated for their in vitro anticancer activity. The assay results pointed thirteen compounds with growth inhibition effect (GI(50)<100 microM) for all eight different types of human cancer cell lines tested. The beta-carbolines 7a and 7h, bearing the 3-(2-metylthio-1,3,4-oxadiazol-5-yl) group, displayed high selectivity and potent anticancer activity against ovarian cell line with GI(50) values lying in the nanomolar concentration range (GI(50)=10 nM for both compounds). The 1-(N,N-dimethylaminophenyl)-3-(5-thioxo-1,2,4-triazol-3-yl) beta-carboline (8g) was the most active compound, showing particular effectiveness on lung (GI(50)=0.06 microM), ovarian and renal cell lines. The potent anticancer activity presented for synthesized compounds 7a, 7h, and 8g, together with their easiness of synthesis, makes these compounds promising anticancer agents.

3,4-Dibromo-2,2,5,5-tetraphenyl-2,5-dihydrofuran

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Nadine Seidel

2018-04-01

Full Text Available The crystal structure of the title compound, C28H20Br2O, was solved in the orthorhombic space group P212121 with one molecule in the asymmetric unit. The phenyl rings are nearly planar and inclined at angles of 67.7 (1, 68.8 (1, 79.3 (1 and 62.3 (1° to the plane of the 2,5-dihydrofuran ring. The crystal structure features C—H...π and Br...Br interactions, which connect the molecules to a three-dimensional supramolecular network.

28 CFR 3.5 - Forfeiture of gambling devices.

Science.gov (United States)

2010-07-01

... 28 Judicial Administration 1 2010-07-01 2010-07-01 false Forfeiture of gambling devices. 3.5 Section 3.5 Judicial Administration DEPARTMENT OF JUSTICE GAMBLING DEVICES § 3.5 Forfeiture of gambling devices. For purposes of seizure and forfeiture of gambling devices see section 8 of this chapter. [Order...

1 CFR 5.3 - Publication of other documents.

Science.gov (United States)

2010-01-01

... 1 General Provisions 1 2010-01-01 2010-01-01 false Publication of other documents. 5.3 Section 5.3 General Provisions ADMINISTRATIVE COMMITTEE OF THE FEDERAL REGISTER THE FEDERAL REGISTER GENERAL § 5.3 Publication of other documents. Whenever the Director of the Federal Register considers that publication of a...

Poly[diaqua(μ5-pyridine-3,5-dicarboxylatostrontium

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Dan Li

2012-06-01

Full Text Available In the structure of the title compound, [Sr(C7H3NO4(H2O2]n, the SrII cation is eight-coordinated in form of a distorted dodecahedron by two water O atoms and by five O atoms and one N atom from five pyridine-3,5-dicarboxylate anions. The bridging mode of the anions leads to the formation of a layered network parallel to (100. O—H...O hydrogen bonding between the coordinating water molecules and the carboxylate groups of adjacent layers consolidates the crystal packing. Weak C—H...O interactions are also observed.

RELAP5/MOD3 code coupling model

International Nuclear Information System (INIS)

Martin, R.P.; Johnsen, G.W.

1994-01-01

A new capability has been incorporated into RELAP5/MOD3 that enables the coupling of RELAP5/MOD3 to other computer codes. The new capability has been designed to support analysis of the new advanced reactor concepts. Its user features rely solely on new RELAP5 open-quotes styledclose quotes input and the Parallel Virtual Machine (PVM) software, which facilitates process management and distributed communication of multiprocess problems. RELAP5/MOD3 manages the input processing, communication instruction, process synchronization, and its own send and receive data processing. The flexible capability requires that an explicit coupling be established, which updates boundary conditions at discrete time intervals. Two test cases are presented that demonstrate the functionality, applicability, and issues involving use of this capability

Synthesis and luminescence properties of Ce{sup 3+}-doped Y{sub 3}Al{sub 3.5}Ga{sub 1.5}O{sub 12} green phosphor for white LEDs

Energy Technology Data Exchange (ETDEWEB)

Qiang, Yaochun [Fujian Key Laboratory of Advanced Materials, Department of Materials Science and Engineering, College of Materials, Xiamen University, Xiamen 361005 (China); Yu, Yuxi, E-mail: yu_heart@xmu.edu.cn [Fujian Key Laboratory of Advanced Materials, Department of Materials Science and Engineering, College of Materials, Xiamen University, Xiamen 361005 (China); Chen, Guolong [Fujian Engineering Research Center for Solid-state Lighting, Department of Electronic Science, Xiamen University, Xiamen 361005 (China); Fang, Jiyu [Advanced Materials Processing and Analysis Center, Department of Materials Science and Engineering, University of Central Florida, Orlando, FL 32816 (United States)

2016-04-15

A series of Ce{sup 3+}-doped Y{sub 3}Al{sub 3.5}Ga{sub 1.5}O{sub 12} green phosphors were successfully synthesized by a solid-state reaction method. The microstructure, morphology, luminescence spectra, luminescence quantum yield (QY) and thermal stability of the phosphor were investigated. The critical concentration of Ce{sup 3+} ions in Y{sub 3−m}Al{sub 3.5}Ga{sub 1.5}O{sub 12}:mCe{sup 3+} is m=0.06. The QY of Y{sub 2.94}Al{sub 3.5}Ga{sub 1.5}O{sub 12}:0.06Ce{sup 3+} phosphor is as high as 94% under excitation at 450 nm and its luminescence intensity at 150 °C still maintains 90% of that measured at 25 °C, which are just a little worse than those of commercial Lu{sub 3}Al{sub 5}O{sub 12}:Ce{sup 3+} green phosphor but much better than those of commercial (Sr,Ba){sub 2}SiO{sub 4}:Eu{sup 2+} green phosphor. A white LED lamp was fabricated by employing Y{sub 2.94}Al{sub 3.5}Ga{sub 1.5}O{sub 12}:0.06Ce{sup 3+} as a green phosphor and commercial (Ca,Sr)AlSiN{sub 3}:Eu{sup 2+} as a red phosphor (628 nm), its Ra value, correlated color temperature (CCT), CIE1931 chromaticity coordinates and luminous efficiency is 84, 3081 K, (x=0.4369, y=0.4142) and 102 lm/W, respectively. The experimental results demonstrate that Y{sub 2.94}Al{sub 3.5}Ga{sub 1.5}O{sub 12}:0.06Ce{sup 3+} is a promising green phosphor not only can be used for high color rendering index white LEDs but also for high-power white LEDs.

The binding characteristics and orientation of a novel radioligand with distinct properties at 5-HT3A and 5-HT3AB receptors

NARCIS (Netherlands)

Thompson, Andrew J; Verheij, Mark H P; Verbeek, Joost; Windhorst, Albert D; de Esch, Iwan J P; Lummis, Sarah C R

2014-01-01

VUF10166 (2-chloro-3-(4-methyl piperazin-1-yl)quinoxaline) is a ligand that binds with high affinity to 5-HT3 receptors. Here we synthesise [(3)H]VUF10166 and characterise its binding properties at 5-HT3A and 5-HT3AB receptors. At 5-HT3A receptors [(3)H]VUF10166 displayed saturable binding with a Kd

Toxicological evaluation of two novel bitter modifying flavour compounds: 3-(1-((3,5-dimethylisoxazol-4-ylmethyl-1H-pyrazol-4-yl-1-(3-hydroxybenzylimidazolidine-2,4-dione and 3-(1-((3,5-dimethylisoxazol-4-ylmethyl-1H-pyrazol-4-yl-1-(3-hydroxybenzyl-5,5-dimethylimidazolidine-2,4-dione

Directory of Open Access Journals (Sweden)

Donald S. Karanewsky

Full Text Available A toxicological evaluation of two novel bitter modifying flavour compounds, 3-(1-((3,5-dimethylisoxazol-4-ylmethyl-1H-pyrazol-4-yl-1-(3-hydroxybenzylimidazolidine-2,4-dione (S6821, CAS 1119831-25-2 and 3-(1-((3,5-dimethylisoxazol-4-ylmethyl-1H-pyrazol-4-yl-1-(3-hydroxybenzyl-5,5-dimethylimidazolidine-2,4-dione (S7958, CAS 1217341-48-4, were completed for the purpose of assessing their safety for use in food and beverage applications. S6821 undergoes oxidative metabolism in vitro, and in rat pharmacokinetic studies both S6821 and S7958 are rapidly converted to the corresponding O-sulfate and O-glucuronide conjugates. S6821 was not found to be mutagenic or clastogenic in vitro, and did not induce micronuclei in bone marrow polychromatic erythrocytes in vivo. S7958, a close structural analog of S6821, was also found to be non-mutagenic in vitro. In short term and subchronic oral toxicity studies in rats, the no-observed-adverse-effect-level (NOAEL for both S7958 and S6821 was 100 mg/kg bw/day (highest dose tested when administered as a food ad-mix for either 28 or 90 consecutive days, respectively. Furthermore, S6821 demonstrated a lack of maternal toxicity, as well as adverse effects on fetal morphology at the highest dose tested, providing a NOAEL of 1000 mg/kg bw/day for both maternal toxicity and embryo/fetal development when administered orally during gestation to pregnant rats. Keywords: S6821, S7958, FEMA GRAS, Subchronic toxicological evaluation, Genetic toxicological evaluation

A mini-library of TBA analogues containing 3'-3' and 5'-5' inversion of polarity sites.

Science.gov (United States)

Esposito, V; Galeone, A; Mayol, L; Randazzo, A; Virgilio, A; Virno, A

2007-01-01

Several researches have been devoted to structure-activity relationship and to post-SELEX modifications of the thrombin binding aptamer (TBA), one of the first aptamers discovered by the SELEX methodology. However, no studies on TBA dealing with the effects of introduction of inversion of polarity sites have been reported yet. In this frame, we have undertaken the synthesis and the study of a mini-library composed of several TBA analogues containing a 3'-3' or a 5'-5' inversion of polarity site at different positions into the sequence. Particularly, in this article, we present preliminary results about their structural and biological properties.

N,N',N"-Tris[(5-methoxy-1H-indol-3-ylethyl]benzene-1,3,5-tricarboxamide

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Ute Schmidt

2015-03-01

Full Text Available The title indole-based compound that enforces tripodal topology and is potential applicable for the use as artificial receptor, was prepared by a simple reaction of 1,3,5-benzenetricarbonyl trichloride with 5-methoxytryptamine. The compound was characterized by elemental analysis, 1H-NMR, 13C-NMR and mass spectrometry.

Measurement of free thyroxine or free 3,5,3'-triiodothyronine in a liquid sample

International Nuclear Information System (INIS)

Hertl, W.; Ward, F.B.; Weetall, H.H.

1982-01-01

An immunoassay method is described for the direct measurement of free thyroxine or 3,5,3'-triiodothyronine in a liquid sample in which the thyroxine or 3,5,3'-triiodothyronine is present in both free and combined states. The sample is combined with a labelled thyroxine- or 3,5,3'-triiodothyronine-horseradish peroxidase conjugate which does not significantly interact with thyroxine-binding globulin, thyroxine-binding prealbumin and immobilised antibody which is specific for thyroxine or 3,5,3'-triiodothyronine. After incubation, the solid phase is separated from the liquid phase and the amount of labelled thyroxine- or 3,5,3'-triiodothyronine-horseradish peroxidase conjugate present in either phase is measured by determining the activity of the label. (author)

Lysophosphatidic acid receptor-5 negatively regulates cellular responses in mouse fibroblast 3T3 cells

Energy Technology Data Exchange (ETDEWEB)

Dong, Yan; Hirane, Miku; Araki, Mutsumi [Division of Cancer Biology and Bioinformatics, Department of Life Science, Faculty of Science and Engineering, Kinki University, 3-4-1, Kowakae, Higashiosaka, Osaka 577-8502 (Japan); Fukushima, Nobuyuki [Division of Molecular Neurobiology, Department of Life Science, Faculty of Science and Engineering, Kinki University, 3-4-1, Kowakae, Higashiosaka, Osaka 577-8502 (Japan); Tsujiuchi, Toshifumi, E-mail: ttujiuch@life.kindai.ac.jp [Division of Cancer Biology and Bioinformatics, Department of Life Science, Faculty of Science and Engineering, Kinki University, 3-4-1, Kowakae, Higashiosaka, Osaka 577-8502 (Japan)

2014-04-04

Highlights: • LPA{sub 5} inhibits the cell growth and motile activities of 3T3 cells. • LPA{sub 5} suppresses the cell motile activities stimulated by hydrogen peroxide in 3T3 cells. • Enhancement of LPA{sub 5} on the cell motile activities inhibited by LPA{sub 1} in 3T3 cells. • The expression and activation of Mmp-9 were inhibited by LPA{sub 5} in 3T3 cells. • LPA signaling via LPA{sub 5} acts as a negative regulator of cellular responses in 3T3 cells. - Abstract: Lysophosphatidic acid (LPA) signaling via G protein-coupled LPA receptors (LPA{sub 1}–LPA{sub 6}) mediates a variety of biological functions, including cell migration. Recently, we have reported that LPA{sub 1} inhibited the cell motile activities of mouse fibroblast 3T3 cells. In the present study, to evaluate a role of LPA{sub 5} in cellular responses, Lpar5 knockdown (3T3-L5) cells were generated from 3T3 cells. In cell proliferation assays, LPA markedly stimulated the cell proliferation activities of 3T3-L5 cells, compared with control cells. In cell motility assays with Cell Culture Inserts, the cell motile activities of 3T3-L5 cells were significantly higher than those of control cells. The activity levels of matrix metalloproteinases (MMPs) were measured by gelatin zymography. 3T3-L5 cells stimulated the activation of Mmp-2, correlating with the expression levels of Mmp-2 gene. Moreover, to assess the co-effects of LPA{sub 1} and LPA{sub 5} on cell motile activities, Lpar5 knockdown (3T3a1-L5) cells were also established from Lpar1 over-expressing (3T3a1) cells. 3T3a1-L5 cells increased the cell motile activities of 3T3a1 cells, while the cell motile activities of 3T3a1 cells were significantly lower than those of control cells. These results suggest that LPA{sub 5} may act as a negative regulator of cellular responses in mouse fibroblast 3T3 cells, similar to the case for LPA{sub 1}.

Lysophosphatidic acid receptor-5 negatively regulates cellular responses in mouse fibroblast 3T3 cells

International Nuclear Information System (INIS)

Dong, Yan; Hirane, Miku; Araki, Mutsumi; Fukushima, Nobuyuki; Tsujiuchi, Toshifumi

2014-01-01

Highlights: • LPA 5 inhibits the cell growth and motile activities of 3T3 cells. • LPA 5 suppresses the cell motile activities stimulated by hydrogen peroxide in 3T3 cells. • Enhancement of LPA 5 on the cell motile activities inhibited by LPA 1 in 3T3 cells. • The expression and activation of Mmp-9 were inhibited by LPA 5 in 3T3 cells. • LPA signaling via LPA 5 acts as a negative regulator of cellular responses in 3T3 cells. - Abstract: Lysophosphatidic acid (LPA) signaling via G protein-coupled LPA receptors (LPA 1 –LPA 6 ) mediates a variety of biological functions, including cell migration. Recently, we have reported that LPA 1 inhibited the cell motile activities of mouse fibroblast 3T3 cells. In the present study, to evaluate a role of LPA 5 in cellular responses, Lpar5 knockdown (3T3-L5) cells were generated from 3T3 cells. In cell proliferation assays, LPA markedly stimulated the cell proliferation activities of 3T3-L5 cells, compared with control cells. In cell motility assays with Cell Culture Inserts, the cell motile activities of 3T3-L5 cells were significantly higher than those of control cells. The activity levels of matrix metalloproteinases (MMPs) were measured by gelatin zymography. 3T3-L5 cells stimulated the activation of Mmp-2, correlating with the expression levels of Mmp-2 gene. Moreover, to assess the co-effects of LPA 1 and LPA 5 on cell motile activities, Lpar5 knockdown (3T3a1-L5) cells were also established from Lpar1 over-expressing (3T3a1) cells. 3T3a1-L5 cells increased the cell motile activities of 3T3a1 cells, while the cell motile activities of 3T3a1 cells were significantly lower than those of control cells. These results suggest that LPA 5 may act as a negative regulator of cellular responses in mouse fibroblast 3T3 cells, similar to the case for LPA 1

Crystal structure and optical absorption spectra of Ga0.5Fe0.5InS3 and Ga0.5Fe0.25In1.25S3 crystals

International Nuclear Information System (INIS)

Gusejnov, G.G.; Musaeva, N.N.; Kyazumov, M.G.; Asadova, I.B.; Aliev, O.M.

2003-01-01

Single crystals of Ga 0.5 Fe 0.5 InS 3 are grown by the method of chemical gas-transport reactions and those of Ga 0.5 Fe 0.25 In 1.25 S 3 - by Bridgman method. X-ray diffraction studies reveal that they crystallize in trigonal and rhombohedral systems with lattice parameters of a = 3.796 x 2 A, c = 12.210 A, P3m1; a = 3.786 x 2 A, c = 36.606 A, R3m, respectively. An optical absorption edge in a wide range of photon energy and an energy gap width are determined: E g = 1.885 eV for Ga 0.5 Fe 0.5 InS 3 and E g 1.843 eV for Ga 0.5 Fe 0.25 In 1.25 S 3 [ru

Effect of sintering condition on the microstructure and electrical properties of lead-free (Na0.5K0.5NbO3 - Bi0.5(Na0.83K0.170.5TiO3 ceramics

Directory of Open Access Journals (Sweden)

Wang Chun Huy

2017-01-01

Full Text Available In this work, the piezoelectric ceramic system of the (1-x(Na0.5K0.5NbO3 - xBi(Na0.83K0.17TiO3 with composition close to the morphotropic phase boundary is studied. (Na0.5K0.5NbO3 with 0∼5 mole% Bi(Na0.83K0.17TiO3 has been prepared following the conventional mixed oxide process. The effect of sintering time on the properties of 0.97(Na0.5K0.5NbO3-0.03Bi(Na0.83K0.17TiO3 ceramics is discussed. For 0.97(Na0.5K0.5NbO3-0.03Bi(Na0.83K0.17TiO3 ceramics, the electromechanical coupling coefficients of the thickness mode kt and the piezoelectric constant d33 reach 0.46 and 155 p/CN, respectively, at the sintering of 1100 °C for 3 h. Dielectric and piezoelectric properties have maximum values at the sintering temperature of 1100 °C for 5 h. For 0.97(Na0.5K0.5NbO3 -0.03Bi(Na0.83K0.17TiO3 ceramics, the electromechanical coupling coefficients of the thickness mode kt and the piezoelectric constant d33 reach 0.56 and 190, respectively, at the sintering of 1100 °C for 5 h. The effect of prolonging the sintering time to the 0.97(Na0.5K0.5NbO3-0.03Bi(Na0.83K0.17TiO3 system is a helpful method on ceramic processing to improve densification and properties.

Ethylbenzene dehydrogenation over Mg3Fe0.5−xCoxAl0.5 catalysts derived from hydrotalcites: Comparison with Mg3Fe0.5−yNiyAl0.5 catalysts

KAUST Repository

Atanda, Luqman A.

2011-04-01

A series of Mg3Fe0.5-xCoxAl0.5 (x = 0-0.5) catalysts were prepared from hydrotalcite precursors and their activities in the dehydrogenation of ethylbenzene were compared with those of a series of Mg3Fe0.5-yNiyAl0.5 (y = 0-0.5) catalysts also derived from hydrotalcite. The hydrotalcites prepared by co-precipitation were calcined at 550 °C to the mixed oxides with a high surface area of 150-240m2gcat-1; they were composed of Mg(Fe,Me,Al)O periclase and Mg(Me)(Fe,Al)2O4 spinel (Me = Co or Ni). Bimetallic Fe3+-Co2+ system showed a synergy, i.e., an increase in the activity, whereas Fe3+-Ni2+ bimetallic system showed no synergy. The high styrene yield was obtained on Mg 3Fe0.1Co0.4Al0.5; however, a large substitution of Fe3+ with Co2+ caused a decrease in styrene selectivity along with coking on the catalysts, due to an isolation of CoOx on the catalyst surface. The highest yield as well as the highest selectivity for styrene production was obtained at x = 0.25 at time on stream of 30 min. The coprecipitation at pH = 10.0 and the composition of Mg3Fe0.25Co0.25Al0.5 were the best for preparing the active catalyst. This is partly due to the formation of a good hydrotalcite structure. On this catalyst, the active Fe3+ species was reduced at a low temperature by the Fe3+-Co2+ bimetal formation, leading to a high activity. Simultaneously, the amount of reducible Fe3+ was the smallest, resulting in a high stability of the active Fe3+ species. It is likely that the dehydrogenation was catalyzed by the reduction-oxidation between Fe3+ and Fe2+ and that Co2+ assisted the reduction-oxidation by forming Fe 3+-Co2+ (1/1) bimetallic active species. © 2011 Elsevier B.V. All rights reserved.

Electrosynthesis of Ti5Si3, Ti5Si3/TiC, and Ti5Si3/Ti3SiC2 from Ti-Bearing Blast Furnace Slag in Molten CaCl2

Science.gov (United States)

Li, Shangshu; Zou, Xingli; Zheng, Kai; Lu, Xionggang; Chen, Chaoyi; Li, Xin; Xu, Qian; Zhou, Zhongfu

2018-04-01

Ti5Si3, Ti5Si3/TiC, and Ti5Si3/Ti3SiC2 have been electrochemically synthesized from the Ti-bearing blast furnace slag/TiO2 and/or C mixture precursors at a cell voltage of 3.8 V and 1223 K to 1273 K (950 °C to 1000 °C) in molten CaCl2. The pressed porous mixture pellets were used as the cathode, and a solid oxide oxygen-ion-conducting membrane (SOM)-based anode was used as the anode. The phase composition and morphologies of the cathodic products were systematically characterized. The final products possess a porous nodular microstructure due to the interconnection of particles. The variations of impurity elements, i.e., Ca, Mg, and Al, have been analyzed, and the result shows that Ca and Mg can be almost completely removed; however, Al cannot be easily removed from the pellet due to the formation of Ti-Al alloys during the electroreduction process. The electroreduction process has also been investigated by the layer-depended phase composition analysis of the dipped/partially reduced pellets to understand the detailed reaction process. The results indicate that the electroreduction process of the Ti-bearing blast furnace slag/TiO2 and/or C mixture precursors can be typically divided into four periods, i.e., (i) the decomposition of initial Ca(Mg,Al)(Si,Al)2O6, (ii) the reduction of Ti/Si-containing intermediate phases, (iii) the removal of impurity elements, and (iv) the formation of Ti5Si3, TiC, and Ti3SiC2. It is suggested that the SOM-based anode process has great potential to be used for the direct and facile preparation of Ti alloys and composites from cheap Ti-containing ores.

2,2,3,3,5,5,6,6-Octa-p-tolyl-1,4-dioxa-2,3,5,6-tetragermacyclohexane dichloromethane disolvate

Directory of Open Access Journals (Sweden)

Monika L. Amadoruge

2009-09-01

Full Text Available The title compound, C56H56Ge4O2·2CH2Cl2 or Tol8Ge4O2·2CH2Cl2 (Tol = p-CH3C6H4, was obtained serendipitously during the attempted synthesis of a branched oligogermane from Tol3GeNMe2 and PhGeH3. The molecule contains an inversion center in the middle of the Ge4O2 ring which is in a chair conformation. The Ge—Ge bond distance is 2.4418 (5 Å and the Ge—O bond distances are 1.790 (2 and 1.785 (2 Å. The torsion angles within the Ge4O2 ring are −56.7 (1 and 56.1 (1° for the Ge—Ge—O—Ge angles and −43.9 (1° for the O—Ge—Ge—O angle.

Hyperfine structure in 5s4d 3D-5snf transitions of 87Sr

International Nuclear Information System (INIS)

Bushaw, B.A.; Kluge, H.J.; Lantzsch, J.; Schwalbach, R.; Stenner, J.; Stevens, H.; Wendt, K.; Zimmer, K.

1993-01-01

The hyperfine spectra of the 5s4d 3 D 1 -5s20f, 5s4d 3 D 2 -5s23f, and 5s4d 3 D 3 -5s32f transitions of 87 Sr (I=9/2) have been measured by collinear fast beam laser spectroscopy. The structure in the upper configurations is highly perturbed by fine structure splitting that is of comparable size to the hyperfine interaction energy. These perturbations can be adequately treated with conventional matrix diagonalization methods, using the 5s-electron magnetic dipole interaction term a 5s and the unperturbed fine structure splittings as input parameters. Additionally, hyperfine constants for the lower 5s4d 3 D configurations, including the A- and B-factors and a separation of the individual s- and d-electron contributions to these factors, are derived. (orig.)

Study on mechanism controlling {sup 5}D{sub 3}/{sup 5}D{sub 4}emissions of Tb{sup 3+} in glasses

Energy Technology Data Exchange (ETDEWEB)

Wang, Yang; Liu, Siyuan; Mao, Jiayi; Li, Xinxi; Li, Lei; Zeng, Huidan; Chen, Guorong, E-mail: grchen@ecust.edu.cn

2017-05-15

Tb{sup 3+} doped SiO{sub 2}-ZnO-BaO glasses are prepared by melting quenching method and their unique photoluminescent properties for the UV excitation are studied by using emission/excitation spectra and decay curves. Glasses in the composition (mol%) of 60SiO{sub 2}-xZnO-(40-x)BaO-0.2Tb{sup 3+}(x=30, 20, 10) show the strongest emission peaking at 436 nm which is different from majority of other reported work. Lower content of the free OH groups mainly contribute to this phenomenon due to the decreased probability of the multi-phonon aided non-radiative relaxation process from {sup 5}D{sub 3} to {sup 5}D{sub 4} energy levels of Tb{sup 3+} ions. The Tb{sup 3+} concentration also affects the {sup 5}D{sub 3}/{sup 5}D{sub 4} emissions as a result of the cross-relaxation effect on two nearby Tb{sup 3+} ions ({sup 5}D{sub 3}-{sup 5}D{sub 4}⇒{sup 7}F{sub 6}-{sup 7}F{sub 0}). Moreover, by adjusting Tb{sup 3+} concentration and/or ZnO/BaO concentration ratio of the host glass we obtained the adjustable emission with the required CIE chromaticity from blue to green, suggesting that the present Tb{sup 3+}-doped SiO{sub 2}-ZnO-BaO glasses are potential as blue/green dual-color luminescent materials for different applications.

Thermodynamic study of 1,2,3-triphenylbenzene and 1,3,5-triphenylbenzene

International Nuclear Information System (INIS)

Ribeiro da Silva, Manuel A.V.; Santos, Luis M.N.B.F.; Lima, Luis M. Spencer S.

2010-01-01

The energetic study of 1,2,3-triphenylbenzene (1,2,3-TPhB) and 1,3,5-triphenylbenzene (1,3,5-TPhB) isomers was carried out by making use of the mini-bomb combustion calorimetry and Knudsen mass-loss effusion techniques. The mini-bomb combustion calorimetry technique was used to derive the standard (p o = 0.1 MPa) molar enthalpies of formation in the crystalline state from the measured standard molar energies of combustion for both isomers. The Knudsen mass-loss effusion technique was used to measure the dependence with the temperature of the vapour pressure of crystalline 1,2,3-TPhB, which allowed the derivation of the standard molar enthalpy of sublimation, by application of the Clausius-Clapeyron equation. The sublimation study of 1,3,5-TPhB had been performed previously. From the combination of data obtained by both techniques, the standard molar enthalpies of formation in the gaseous state, for both isomers, at T = 298.15 K, were calculated. The results indicate a higher stability of the 1,3,5-TPhB isomer relative to 1,2,3-TPhB, similarly to the terphenyls. Nevertheless, the 1,2,3-TPhB isomer is not as energetically destabilized as one might expect, supporting the existence of a π-π displacive stacking interaction between both pairs of outer phenyl rings. The volatility difference between the two isomers is ruled by the enthalpy of sublimation. The volatility of the 1,2,3-TPhB is two orders of magnitude higher than the 1,3,5-TPhB isomer, at T = 298.15 K.

Effects of hexahydro-1,3,5-trinitro-1,3,5-triazine (RDX) metabolites on cricket (Acheta domesticus) survival and reproductive success

Energy Technology Data Exchange (ETDEWEB)

Zhang Baohong [Institute of Environmental and Human Health (TIEHH), and Department of Environmental Toxicology, Texas Tech University, Box 41163, Lubbock, TX 79409-1163 (United States); Freitag, Christina M. [Institute of Environmental and Human Health (TIEHH), and Department of Environmental Toxicology, Texas Tech University, Box 41163, Lubbock, TX 79409-1163 (United States); Canas, Jaclyn E. [Institute of Environmental and Human Health (TIEHH), and Department of Environmental Toxicology, Texas Tech University, Box 41163, Lubbock, TX 79409-1163 (United States); Cheng Qiuqiong [Institute of Environmental and Human Health (TIEHH), and Department of Environmental Toxicology, Texas Tech University, Box 41163, Lubbock, TX 79409-1163 (United States); Anderson, Todd A. [Institute of Environmental and Human Health (TIEHH), and Department of Environmental Toxicology, Texas Tech University, Box 41163, Lubbock, TX 79409-1163 (United States)]. E-mail: todd.anderson@tiehh.ttu.edu

2006-11-15

The effect of two major hexahydro-1,3,5-trinitro-1,3,5-triazine (RDX) metabolites, hexahydro-1-nitroso-3,5-dinitro-1,3,5-triazine (MNX) and hexahydro-1,3,5-trinitroso-1,3,5-triazine (TNX), on cricket (Acheta domesticus) survival and reproduction was studied. RDX metabolites did not have adverse effects on cricket survival, growth, and egg production. However, MNX and TNX did affect egg hatching. MNX and TNX were more toxic in spiked-sand than in topical tests. TNX was more toxic to egg than MNX. Developmental stage and exposure time affected hatching. After 30 days exposure to MNX or TNX, the EC{sub 2}, EC{sub 5}, and EC{sub 95} were 47, 128, and 247 {mu}g/g for TNX, and 65, 140, and 253 {mu}g/g for MNX in topical tests. The ECs for 20, 50, and 95 were 21, 52, and 99 {mu}g/g for MNX, and 12, 48, and 97 {mu}g/g for TNX in sand. No gross abnormalities in cricket nypmhs were observed in all experiments indicating that neither TNX or MNX is teratogenic in this assay. - RDX metabolites did not have adverse effects on cricket survival, growth, and egg production, but adversely affected egg hatching.

Effects of hexahydro-1,3,5-trinitro-1,3,5-triazine (RDX) metabolites on cricket (Acheta domesticus) survival and reproductive success

International Nuclear Information System (INIS)

Zhang Baohong; Freitag, Christina M.; Canas, Jaclyn E.; Cheng Qiuqiong; Anderson, Todd A.

2006-01-01

The effect of two major hexahydro-1,3,5-trinitro-1,3,5-triazine (RDX) metabolites, hexahydro-1-nitroso-3,5-dinitro-1,3,5-triazine (MNX) and hexahydro-1,3,5-trinitroso-1,3,5-triazine (TNX), on cricket (Acheta domesticus) survival and reproduction was studied. RDX metabolites did not have adverse effects on cricket survival, growth, and egg production. However, MNX and TNX did affect egg hatching. MNX and TNX were more toxic in spiked-sand than in topical tests. TNX was more toxic to egg than MNX. Developmental stage and exposure time affected hatching. After 30 days exposure to MNX or TNX, the EC 2 , EC 5 , and EC 95 were 47, 128, and 247 μg/g for TNX, and 65, 140, and 253 μg/g for MNX in topical tests. The ECs for 20, 50, and 95 were 21, 52, and 99 μg/g for MNX, and 12, 48, and 97 μg/g for TNX in sand. No gross abnormalities in cricket nypmhs were observed in all experiments indicating that neither TNX or MNX is teratogenic in this assay. - RDX metabolites did not have adverse effects on cricket survival, growth, and egg production, but adversely affected egg hatching

Thermal expansion and elastic moduli of the silicide based intermetallic alloys Ti5Si3(X) and Nb5Si3

International Nuclear Information System (INIS)

Zhang, L.; Wu, J.

1997-01-01

Silicides are among those potential candidates for high temperature application because of their high melting temperature, low density and good oxidation resistance. Recent interest is focused on molybdenum silicides and titanium silicides. Extensive investigation has been carried out on MoSi 2 , yet comparatively less work was performed on titanium silicides such as Ti 5 Si 3 and Ti 3 and TiSi 2 which are of lower density than MoSi 2 . Fundamental understanding of the titanium silicides' properties for further evaluation their potential for practical application are thus needed. The thermal expansion coefficients and elastic moduli of intermetallic compounds are two properties important for evaluation as a first step. The thermal expansion determines the possible stress that might arise during cooling for these high melting point compounds, which is crucial to the preparation of defect free specimens; and the elastic moduli are usually reflections of the cohesion in crystal. In Frommeyer's work and some works afterwards, the coefficients of thermal expansion were measured on both polycrystalline and single crystal Ti 5 Si 3 . The elastic modulus of polycrystalline Ti 5 Si 3 was measured by Frommeyer and Rosenkranz. However, in the above works, the referred Ti 5 Si 3 was the binary one, no alloying effect has been reported on this matter. Moreover, the above parameters (coefficient of thermal expansion and elastic modulus) of Nb 5 Si 3 remain unreported so far. In this paper, the authors try to extend the knowledge of alloyed Ti 5 Si 3 compounds with Nb and Cr additions. Results on the coefficients of thermal expansion and elastic moduli of Ti 5 Si 3 compounds and Nb 5 Si 3 are presented and the discussion is focused on the alloying effect

18 CFR 3b.5 - Legal guardians.

Science.gov (United States)

2010-04-01

... 18 Conservation of Power and Water Resources 1 2010-04-01 2010-04-01 false Legal guardians. 3b.5... INFORMATION General § 3b.5 Legal guardians. For the purposes of this part, the parent of any minor, or the legal guardian of any individual who has been declared to be incompetent due to physical or mental...

Enhancement in electrical and magnetic properties with Ti-doping in Bi0.5La0.5Fe0.5Mn0.5O3

Science.gov (United States)

Singh, Rahul; Gupta, Prince Kumar; Kumar, Shiv; Joshi, Amish G.; Ghosh, A. K.; Patil, S.; Chatterjee, Sandip

2017-04-01

In this investigation, we have synthesized Bi0.5La0.5Fe0.5Mn0.5-xTixO3 (where x = 0 and 0.05) samples. The Rietveld refinement of X-ray diffraction (XRD) patterns shows that the systems crystallize in the orthorhombic phase with the Pnma space group. The observed Raman modes support the XRD results. The appearance of prominent A1-3 and weak E-2 modes in Bi0.5La0.5Fe0.5Mn0.45Ti0.05O3 indicates the presence of chemically more active Bi-O covalent bonds. Ferromagnetism of Bi0.5La0.5Fe0.5Mn0.5O3 is enhanced by Ti doping at the Mn-site, indicating that these particular samples might be interesting for device applications.

Chromates (3) and chromates (5) of rare earths

International Nuclear Information System (INIS)

Suponitskij, Yu.L.

1986-01-01

Data on preparation methods, structure and properties of chromates (3, 5) and mixed chromates (3) of rare earths, scandium and yttrium are generalized. Phase diagrams of systems Ln 2 O 3 -Cr 2 O 3 (Ln - rare earths, Sc, Y), chemical and thermodynamic properties of chromates (3, 5), their crystal structure and character of thermal decomposition are considered. Application fields of the compounds mentioned are suggested

Synthesis of the water soluble ligands dmPTA and dmoPTA and the complex [RuClCp(HdmoPTA)(PPh(3))](OSO(2)CF(3)) (dmPTA = N,N'-Dimethyl-1,3,5-triaza-7-phosphaadamantane, dmoPTA = 3,7-Dimethyl-1,3,7-triaza-5-phosphabicyclo[3.3.1]nonane, HdmoPTA = 3,7-H-3,7-Dimethyl-1,3,7-triaza-5-phosphabicyclo[3.3.1]nonane).

Science.gov (United States)

Mena-Cruz, Adrian; Lorenzo-Luis, Pablo; Romerosa, Antonio; Saoud, Mustapha; Serrano-Ruiz, Manuel

2007-07-23

The new water-soluble ligand dmPTA(OSO(2)CF(3))(2) (1) (dmPTA = N,N'-dimethyl-1,3,5-triaza-7-phosphaadamantane) has been synthesized by reaction of PTA with MeOSO(2)CF(3) in acetone (PTA = 1,3,5-triaza-7-phosphatricycle[3.3.1.1(3,7)]decane). The reaction of 1 with KOH gave rise to the new water-soluble ligand dmoPTA (3) (dmoPTA = 3,7-dimethyl-1,3,7-triaza-5-phosphabicyclo[3.3.1]nonane) by elimination of the -CH(2)- group located between both NCH(3) units. Compound dmPTA(BF(4))(2) (2) and complex [RuClCp(HdmoPTA)(PPh(3))](OSO(2)CF(3)) (4) have also been synthesized, while compounds HdmoPTA(BF(4)) (3a) and [RuClCp(dmPTA)(PPh(3))](OSO(2)CF(3)) (5) were characterized but not isolated. The new ligands and the complex have been fully characterized by NMR, IR, elemental analysis, and X-ray crystal structure determination (ligand 1 and complex 4). The synthetic processes for 3 and 4 were studied.

SYNTHESIS, SPECTRAL AND THEORETICAL CHARACTERIZATION OF 5,6-DICHLORO/DIMETHYL-2-(2´,3´/2´,4´/2´,5´/3´,4´/3´,5´-DIMETHOXYPHENYL-1H-BENZIMIDAZOLES

Directory of Open Access Journals (Sweden)

Demet Gürbüz

2016-12-01

Full Text Available 5,6-Dichloro/dimethyl-2-(2´,3´/2´,4´/2´,5´/3´,4´/3´,5´-dimethoxyphenyl-1H-benzimidazoles were synthesized and characterized by using analytical data, FT-IR, FT-Raman, NMR, ESI-MS and fl uorescence spectroscopy. The optimized molecular geometry, zero point energy, dipole moment, ESE, band gap and charge distributions were calculated by Gaussian 09 using Density Functional Theory (DFT, RB3LYP with 6-31++G(d,p basis set. According to the calculations, the molecules have structures with various torsion angles between the benzimidazole and benzene rings from 9.7º to 47.8º. The calculated energy values with ZPE correction and DFT show that the methyl derivatives are more stable than the chloro forms. 3´,4´-Dimethoxy derivatives have higher decomposition points in comparison with the other compounds in series. The chlorine atoms of 5,6-dichloro-2- (2´,3´/2´,4´/2´,5´/3´,4´/3´,5´-dimethoxyphenyl-1H-benzimidazoles are positively charged whereas the C5 and C6 carbon atoms are negatively charged due to the attached chlorine atoms, in virtue of the electron withdrawing characteristic of the imidazole part of the benzimidazole ring. Also, some calculated prominent bond lengths and bond angles were discussed.

Estructura cristalina del N-isopropil-2-ciano-3(5'-nitrofurilacrilamida Crystal structure of N-isopropyl-2-cyano-3(5'-nitrofurylacrylamide

Directory of Open Access Journals (Sweden)

Ramón Pomés Hernandéz

1997-12-01

Full Text Available C11H11N3O4 , Mr = 249.23, triclinic, , a = 5.453(1, b = 22.873(5, c = 4.893(1 Å, a = 94.47(3, b = 96.36(3, g = 86.27(3º, V = 603.7(8ų,Z = 2, Dx = 1.371 Mg/m-3,l(Cu Ka1 = 1.54178Å, m = 0.86mm-1, room temperature. The crystal structure of N-isopropyl-2-cyano-3(5'-nitrofuryl - acrylamide has been determined by Direct Methods and refined to R = 0.086 for 797 observed reflections. The molecules in the crystal are packed at normal van der Waals forces and by an hydrogen bond between N1-H1...02i (N1...02i: 2.910(1Å, with i=x,y,z+1.

Measurement properties of the EQ-5D-5L compared to the EQ-5D-3L across eight patient groups

DEFF Research Database (Denmark)

Janssen, M F; Pickard, A Simon; Golicki, Dominik

2012-01-01

PURPOSE: The aim of this study was to assess the measurement properties of the 5-level classification system of the EQ-5D (5L), in comparison with the 3-level EQ-5D (3L). METHODS: Participants (n = 3,919) from six countries, including eight patient groups with chronic conditions (cardiovascular...... of the 3-level system which improves upon the measurement properties, reducing the ceiling while improving discriminatory power and establishing convergent and known-groups validity.......), redistribution properties, ceiling, discriminatory power, convergent validity, and known-groups validity. RESULTS: Missing values were on average 0.8 % for 5L and 1.3 % for 3L. In total, 2.9 % of responses were inconsistent between 5L and 3L. Redistribution from 3L to 5L using EQ dimension-specific rating scales...

Atomic-scale microstructures of Zr2Al3C4 and Zr3Al3C5 ceramics

International Nuclear Information System (INIS)

Lin, Z.J.; Zhuo, M.J.; He, L.F.; Zhou, Y.C.; Li, M.S.; Wang, J.Y.

2006-01-01

The microstructures of bulk Zr 2 Al 3 C 4 and Zr 3 Al 3 C 5 ceramics have been investigated using transmission electron microscopy and scanning transmission electron microscopy. These two carbides were determined to have a point group 6/mmm and a space group P6 3 /mmc using selected-area electron diffraction and convergent beam electron diffraction. The atomic-scale microstructures of Zr 2 Al 3 C 4 and Zr 3 Al 3 C 5 were investigated through high-resolution imaging and Z-contrast imaging. Furthermore, intergrowth between Zr 2 Al 3 C 4 and Zr 3 Al 3 C 5 was identified. Stacking faults in Zr 3 Al 3 C 5 were found to result from the insertion of an additional Zr-C layer. Cubic ZrC was occasionally identified to be incorporated in elongated Zr 3 Al 3 C 5 grains. In addition, Al may induce a twinned ZrC structure and lead to the formation of ternary zirconium aluminum carbides

Synthesis of 14C-labelled polychlorobiphenyls derived from the labelled 4-chloro-, 2,5-dichloro-, 3,4-dichloro-, 2,3-dichloro-2,4,5-trichloro- and 2,3,6-trichloroanilines

International Nuclear Information System (INIS)

Bergman, A.; Bamford, I.; Wachtmeister, C.A.

1981-01-01

[ 14 C]Aniline hydrogen sulphate was acetylated, and the acetanilide obtained was chlorinated with N-chlorosuccinimide to 2-chloro, 4-chloro- and 2,4-dichloroacet[ 14 C]anilide. The labelled 2- and 4-chloroacet[ 14 C]anilides were hydrolyzed and treated with aluminium chloride, hydrogen chloride and chlorine in dry dichloromethane to give the major products 2,5-dichloro-and 3,4-dichloro[ 14 C]aniline. The labelled 2,3-dichloro- and 2,3,6-trichloroanilines were obtained as minor products from the chlorination of 2-chloro[ 14 C]aniline, likewise 2,4,5-trichloroaniline was obtained from 4-chloro[ 14 C]aniline. The [ 14 C]anilines prepared were coupled with benzene, 1,4-dichloro-, 1,2-dichloro- or 1,3-dichlorobenzene to give 4-chloro-, 2,3',4',5-tetrachloro-, 2,3,3',4'-tetrachloro-, 3,3',4,4'-tetrachloro-, 2,2',5,5'-tetrachloro-, 2,2',3,3'-tetrachloro-, 2,2',3,5',6-pentachloro-, 2,2',4,4',5-pentachloro- and 2,3',4,5,5'-pentachloro[ 14 C]biphenyl. 3,4-Dichloro[ 14 C]aniline and biphenyls prepared from this aniline were found to be contaminated by bromoanalogues. The origin of these have been studied. (author)

High dynamic range emission measurements of shocked energetic materials: Octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazocine (HMX)

Science.gov (United States)

Bassett, Will P.; Dlott, Dana D.

2016-06-01

A new emission apparatus with high time resolution and high dynamic range was used to study shock-induced ignition of octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazocine in the form of ultrafine powder (4 ± 3 μm particle size), over a range of impact velocities (0.8-4.3 km s-1) and impact durations (2.5-16 ns). A graybody model was used to extract graybody emissivities and time-dependent temperatures from a few ns to 100 μs. The emission transients consisted of three parts: a 6700 K nanosecond burst during the shocks, a 4000-4500 K temperature spike near 0.3 μs followed by a ˜3300 K tail extending out to ˜100 μs. These temperatures varied remarkably little with impact velocity and duration, while the emission intensities and emissivities changed by over an order of magnitude. The emissivity changes were interpreted with a hot spot model, where hot spot temperatures reached a maximum of 6700 K and the hot spot volume fractions increased from 5% to 100% as impact velocity increased from 1 to 3 km s-1. Changing shock durations in the 2.5-16 ns range had noticeable effects on the microsecond emission. The 0.3 μs temperature spike was much smaller or absent with 2.5 ns shocks, but prominent with longer durations. An explanation for these effects was put forth that invoked the formation of carbon-rich clusters during the shock. In this view, cluster formation was minimal with 2.5 ns shocks, but longer-duration shocks produced increasingly larger clusters, and the 0.3 μs temperature spikes represented cluster ignition.

Doping with lead of single crystals of solid solutions of Sbsub(1,5)Bisub(0,5)Tlsub(3)-Bisub(2)Sesub(3)

International Nuclear Information System (INIS)

Abrikosov, N.Kh.; Ivanova, L.D.; Polikarpova, N.V.; Galechyan, M.G.

1984-01-01

By the Czochralski method with liquid phase additional feeding single crystals of solid solutions of the Sbsub(1.5)Bisub(0.5)Tesub(3)-Bisub(2)Sesub(3) system with 0, 10 and 15 mol.% of Bi 2 Se 3 content doped with lead up to 1.37 at/cm 3 are grown. Lead content in crystals and alloys is determined by the atom-abmethod using the scale of standard solutions. It has been found that the effective coefficient of lead distribution in investigated solutions is approximately 0.5. It is shown that lead addition leads to increase of electric conductivity and heat conductivity and decrease of thermoelectric coeffcient at the expense of current carriers concentration growth, the lead in crystals of solid solutions of the Sbsub(1.5)Bisub(0.5)Tesub(3)-Bisub(2)Sesub(3) system being a single charge acceptor

Measurement properties of the EQ-5D-5L compared to the EQ-5D-3L in psoriasis patients.

Science.gov (United States)

Poór, Adrienn Katalin; Rencz, Fanni; Brodszky, Valentin; Gulácsi, László; Beretzky, Zsuzsanna; Hidvégi, Bernadett; Holló, Péter; Kárpáti, Sarolta; Péntek, Márta

2017-12-01

The purpose of this study is to assess the measurement properties of EQ-5D-5L compared to EQ-5D-3L in psoriasis patients. A cross-sectional survey was carried out at an academic dermatology clinic in Hungary. Psoriasis patients completed the EQ-5D-3L, EQ-5D-5L and Dermatology Life Quality Index (DLQI) questionnaires, and Psoriasis Area and Severity Index (PASI) was assessed. The UK value sets were used to calculate the 3L and 5L index scores. We tested the feasibility, ceiling effect, redistribution properties, the level of inconsistency and informativity (Shannon and Shannon Evenness indices). Spearman's rank-order correlations were performed between EQ-5D, EQ VAS, DLQI and PASI scores. Known-groups validity was evaluated by comparing age groups, clinical subtypes and treatment groups. Mean age of the 238 patients was 47 years, and 36.6% of them received biological therapy. Mean EQ-5D index score was 0.77 (SD: 0.26) with the 3L and 0.84 (SD: 0.19) with the 5L. The overall ceiling effect decreased from 37.1 (3L) to 32.9% (5L). Shannon index improved significantly for most dimensions, but Shannon Evenness index improved only in three dimensions. Compared to the 3L, the 5L version confirmed a better convergent validity with PASI, but not with the DLQI. Known-groups validity was equally demonstrated both for the 5L and 3L. The EQ-5D-5L seems to improve measurement properties by reducing ceiling effects, strengthening correlations with PASI and improving informativity. Follow-up studies are needed to test responsiveness and reliability in psoriasis.

One-pot oxidation and bromination of 3,4-diaryl-2,5-dihydrothiophenes using Br2: synthesis and application of 3,4-diaryl-2,5-dibromothiophenes.

Science.gov (United States)

Dang, Yizhe; Chen, Yi

2007-08-31

A class of 3,4-diaryl-2,5-dibromothiophenes (1b-5b) was synthesized by a one-pot reaction of 3,4-diaryl-2,5-dihydrothiophenes with Br2 reagent in excellent yield (83-92%). It was found that Br2 performed a double function (oxidation and bromination) during the conversion of 3,4-diaryl-2,5-dihydrothiophenes to 3,4-diaryl-2,5-dibromothiophenes. The application of 3,4-diaryl-2,5-dibromothiophenes used as building blocks was also investigated. Employing 3,4-diphenyl-2,5-dibromothiophene (1b) as a template, a class of 2,3,4,5-tetraarylthiophenes was prepared by the Suzuki coupling reaction. This provided a new and simple approach to the preparation of 2,3,4,5-tetraarylthiophenes.

X-ray crystal and molecular structure of (eta/sup 5/C/sub 5/H/sub 5/)UCl/sub 3/. 2PPh/sub 3/O thf: trichloro (eta/sup 5/cyclopentadienyl)bis(triphenylphosphine oxide) uranium(IV). thf

Energy Technology Data Exchange (ETDEWEB)

Bombieri, G; De Paoli, G [Consiglio Nazionale delle Ricerche, Padua (Italy). Lab. di Chimica e Tecnologia dei Radioelementi; Del Pra, A; Bagnall, K W

1978-01-01

Following reports of the preparation of (eta/sup 5/C/sub 5/H/sub 5/)UCl/sub 3/.xL (x = 1, L = dimethoxyethane and x = 2, L = tetrahydrofuran (thf), a series of analogous oxygen-donor complexes were isolated. This paper describes the crystal and molecular structure of one of them, ((eta/sup 5/C/sub 5/H/sub 5/)UCl/sub 3/.2PPh/sub 3/O)thf.

Comparing the UK EQ-5D-3L and English EQ-5D-5L Value Sets.

Science.gov (United States)

Mulhern, Brendan; Feng, Yan; Shah, Koonal; Janssen, Mathieu F; Herdman, Michael; van Hout, Ben; Devlin, Nancy

2018-06-01

Three EQ-5D value sets (EQ-5D-3L, crosswalk, and EQ-5D-5L) are now available for cost-utility analysis in the UK and/or England. The value sets' characteristics differ, and it is important to assess the implications of these differences. The aim of this paper is to compare the three value sets. We carried out analysis comparing the predicted values from each value set, and investigated how differences in health on the descriptive system is reflected in the utility score by assessing the value of adjacent states. We also assessed differences in values using data from patients who completed both EQ-5D-3L and EQ-5D-5L. The distribution of the value sets systematically differed. EQ-5D-5L values were higher than EQ-5D-3L/crosswalk values. The overall range and difference between adjacent states was smaller. In the patient data, the EQ-5D-5L produced higher values across all conditions and there was some evidence that the value sets rank different health conditions in a similar severity order. There are important differences between the value sets. Due to the smaller range of EQ-5D-5L values, the possible change in quality-adjusted life years (QALYs) might be reduced, but they will apply to both control and intervention groups, and will depend on whether the gain is in quality of life, survival, or both. The increased sensitivity of EQ-5D-5L may also favour QALY gains even if the changes in utility are smaller. Further work should assess the impact of the different value sets on cost effectiveness by repeating the analysis on clinical trial data.

HTML5 games creating fun with HTML5, CSS3, and WebGL

CERN Document Server

Seidelin, Jacob

2011-01-01

Discover new opportunities for building 2D and 3D games with HTML5 The newest iteration of HTML, HTML5 can be used with JavaScript, CSS3, and WebGL to create beautiful, unique, engaging games that can be played on the web or mobile devices like the iPad or Android phones. Gone are the days where games were only possible with plugin technologies such as Flash and this cutting-edge book shows you how to utilize the latest open web technologies to create a game from scratch using Canvas, HTML5 Audio, WebGL, and WebSockets. You'll discover how to build a framework on which you will create your HTML5 game. Then each successive chapter covers a new aspect of the game, including user input, sound, multiplayer functionality, 2D and 3D graphics, and more. Aims directly at a new way to develop games for the web through the use of HTML5 Demonstrates how to make iOS and Android web apps Explains how to capture player input; create 3D graphics; and incorporate textures, lighting, and sound Guides you through the proce...

6-Butyl-5-(4-methoxyphenoxy-3-phenyl-3H-1,2,3-triazolo[4,5-d]pyrimidin-7(6H-one

Directory of Open Access Journals (Sweden)

Hong-Mei Wang

2009-12-01

Full Text Available The asymmetric unit of the title compound, C21H21N5O3, consists of two geometrically similar molecules. The fused rings of the triazolo[4,5-d]pyrimidine system are nearly coplanar, making dihedral angels of 1.48 (18 and 1.34 (16°, and the phenyl rings are twisted by 12.3 (1 and 8.7 (1° with respect to the triazolopyrimidine plane. The ethyl groups of the n-butyl side chains are disordered over two sites in each of the independent molecules, the ratios of occupancies being 0.60:0.40 and 0.61:0.39.

Effects of 5,5'-diphenylhydantoin on thyroxine and 3,5,3'-triiodothyronine concentrations in several tissues of the rat

Energy Technology Data Exchange (ETDEWEB)

Schroeder-van der Elst, J.Pv.; van der Heide, D. (University Hospital, Leiden (Netherlands))

1990-01-01

We studied the effect of 5,5'-diphenylhydantoin (phenytoin, DPH) on the metabolism of thyroid hormones, the intracellular concentration of T4, and the source and concentration of T3. Two groups of six male Wistar rats received a continuous infusion of 10 ml saline/rat. day. One group received DPH in their food (50 mg/kg BW) for 20 days. For both groups (125I)T4 and (131I)T3 were added to the infusion fluid for the last 10 and 7 days, respectively. At isotopic equilibrium the rats were bled and perfused. Compared to the controls, plasma T4 and T3 in the DPH group were reduced (22% and 31%, respectively); TSH did not change. The rate of production of T4 and the plasma appearance rate for T3 were decreased. Thyroidal T3 production was markedly reduced. From the increased (125I)T3/(125I)T4 ratio for plasma, it follows that total body conversion was enhanced. The tissue T4 concentrations decreased in parallel with the plasma T4 level. Total T3 was reduced in all organs. In tissues in which local conversion does not occur, i.e. heart and muscle, the decrease reflected the decrease in plasma T3. In the liver both plasma-derived T3 and locally produced T3 were diminished. In cerebellum and brain the plasma-derived T3 pool was even smaller than was expected from the decrease in plasma T3. This was partly compensated by an increase in local conversion. Only for these two organs was the decrease in the tissue/plasma ratio for (131I)T3 significant. Our results suggest tissue hypothyroidism, caused by a decrease in the production of T4 and T3, which is partly compensated by increased conversion in several organs. The transport of T3 into cerebellum and brain is disturbed, which can be attributed to the mode of action of DPH.

Structural and Moessbauer Effect Studies of 0.7Bi0.95Dy0.05FeO3-0.3Pb(Fe0.5Nb0.5)O3 Multiferroic

International Nuclear Information System (INIS)

Stoch, A.; Kulawik, J.; Stoch, P.; Maurin, J.; Zachariasz, P.

2011-01-01

0.7Bi 0.95 Dy 0.05 FeO 3 -0.3Pb(Fe 0.5 Nb 0.5 )O 3 is a multiferroic material which exhibits ferroelectric and antiferromagnetic ordering. In this paper the way of the synthesis of 0.7Bi 0.95 Dy 0.05 FeO 3 -0.3Pb(Fe 0.5 Nb 0.5 )O 3 is presented. The detailed X-ray and Moessbauer effect studies were done and crystal and hyperfine interaction parameters were obtained. (authors)

Luminescence of Eu:Y3Al5O12, Eu:Lu3Al5O12, and Eu:GdAlO3 Nanocrystals Synthesized by Solution Combustion

Science.gov (United States)

Vilejshikova, E. V.; Khort, A. A.; Podbolotov, K. B.; Loiko, P. A.; Shimanski, V. I.; Shashkov, S. N.; Yumashev, K. V.

2017-11-01

Nanocrystals of rare-earth garnets Y3Al5O12 and Lu3Al5O12 and perovskite GdAlO3 highly doped (10-20 at%) with Eu3+ are synthesized by the solution combustion technique and subsequent annealing in air at 800 and 1300oC. Their structure, morphology, and phase composition are studied. These materials exhibit intense red luminescence under UV excitation. Eu:GdAlO3 luminescence has CIE 1931 color coordinates (0.632, 0.368); dominant wavelength, 599.6 nm; and color purity, >99%. Judd-Ofelt parameters, luminescence branching ratios, and lifetimes of the Eu3+ 5D0 state are determined. The luminescence quantum yield for Eu:GdAlO3 (10 at%) reaches 74% with a lifetime of 1.4 ms for the 5D0 state. The synthesized materials are promising for red ceramic phosphors.

4-[(3-Phenyl-4,5-dihydroisoxazol-5-ylmethyl]-2H-benzo[b][1,4]thiazin-3(4H-one

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Nada Kheira Sebbar

2016-06-01

Full Text Available In the title compound, C18H16N2O2S, the 5-dihydroisoxazol-5-yl ring and its phenyl substituent are nearly coplanar, with the largest deviation from the mean plane being 0.0184 (16 Å. The thiomorpholin-3-one ring adopts a screw-boat conformation and the attached benzene ring makes a dihedral angle of 42.26 (7° with the mean plane through the 3-phenyl-4,5-dihydroisoxazol-5-yl ring system. In the crystal, molecules are linked by pairs of C—H...N hydrogen bonds, forming inversion dimers. These dimers are linked via C—H...O hydrogen bonds, generating a three-dimensional network.

5-(4-Bromophenyl-2-(3,4-methylenedioxyphenyl-3-methylsulfanyl-1-benzofuran

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Hong Dae Choi

2009-10-01

Full Text Available The title compound, C22H15BrO3S, crystallizes with four molecules in the asymmetric unit. The 4-bromophenyl rings are rotated out of the benzofuran planes, with dihedral angles for the four molecules of 20.8 (2, 17.8 (2, 23.5 (4 and 23.9 (4°. The dihedral angles between the 3,4-methylenedioxyphenyl ring and the benzofuran plane are 13.5 (2, 7.1 (2, 18.6 (3 and 14.2 (3° in the four molecules. The crystal structure is stabilized by weak nonclassical intermolecular C—H...O hydrogen bonds. The crystal structure also exhibits intermolecular aromatic π–π interactions between the benzene and furan rings and between the 4-bromophenyl and 3,4-methylenedioxyphenyl rings from molecules of the same type; the centroid–centroid distances are 3.92 (1 and 3.79 (1, 3.91 (1, 3.77 (1 and 3.77 (1, and 3.79 (1 and 3.75 (1Å in the four molecules.

Isoxazolium N-ylides and 1-oxa-5-azahexa-1,3,5-trienes on the way from isoxazoles to 2H-1,3-oxazines

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Alexander F. Khlebnikov

2014-08-01

Full Text Available Theoretical and experimental studies of the reaction of isoxazoles with diazo compounds show that the formation of 2H-1,3-oxazines proceeds via the formation of (3Z-1-oxa-5-azahexa-1,3,5-trienes which undergo a 6π-cyclization. The stationary points corresponding to the probable reaction intermediates, isoxazolium N-ylides, were located by DFT calculations at the B3LYP/6-31G(d level only for derivatives without a substituent in position 3 of the isoxazole ring. These isoxazolium N-ylides are thermodynamically and kinetically very unstable. According to the calculations and experimental results 2H-1,3-oxazines are usually more thermodynamically stable than the corresponding open-chain isomers, (3Z-1-oxa-5-azahexa-1,3,5-trienes. The exception are oxaazahexatrienes derived from 5-alkoxyisoxazoles, which are thermodynamically more stable than the corresponding 2H-1,3-oxazines. Therefore, the reaction of diazo esters with 5-alkoxyisoxazoles is a good approach to 1,4-di(alkoxycarbonyl-2-azabuta-1,3-dienes. The reaction conditions for the preparation of aryl- and halogen-substituted 2H-1,3-oxazines and 1,4-di(alkoxycarbonyl-2-azabuta-1,3-dienes from isoxazoles were investigated.

Crossrelaxations and non-radiative energy transfer from (4G5/2) Sm3+ → (5D0) Eu3+: B2O3–ZnO glasses

International Nuclear Information System (INIS)

Naresh, V.; Rudramadevi, B.H.; Buddhudu, S.

2015-01-01

Graphical abstract: The energy transfer process occurring from Sm 3+ to Eu 3+ in B 2 O 3 –ZnO (BZn) glasses is analyzed. Based on the Foster–Dexter theory, the possibility of energy transfer between Sm 3+ and Eu 3+ has been demonstrated from the spectral overlap of Eu 3+ absorption and Sm 3+ emission, photoluminescence spectra, energy level diagram and lifetime measurements. The energy transfer mechanism in (Sm 3+ + Eu 3+ ) co-doped glass is governed by dipole–dipole interaction. - Highlights: • Spectroscopic properties of individually doped Sm 3+ , Eu 3+ & co-doped (Sm 3+ + Eu 3+ ) in BZn glasses were studied separately. • The effect of Eu 3+ concentration on luminescence properties is explained from cross-relaxations. • Energy transfer from Sm 3+ ( 4 G 5/2 ) to Eu 3+ ( 5 D 0 ) has been explained from Foster–Dexter theory. • Dipole–dipole mechanism governs the energy transfer from Sm 3+ to Eu 3+ . - Abstract: The present paper reports on the results concerning to photoluminescence features of Eu 3+ , Sm 3+ ions and energy transfer process occurring from Sm 3+ to Eu 3+ doped in 45 B 2 O 3 –55 ZnO (BZn) glasses prepared by melt quenching technique. Luminescence quenching as a function of Eu 3+ concentration in BZn glasses has been discussed. Among the studied concentrations, 0.5 mol% of Eu 3+ is optimized because it has exhibited red emission transition 5 D 0 → 7 F 2 . With regard to Sm 3+ glasses, orange emission at 602 nm ( 4 G 5/2 → 6 H 7/2 ) has been noticed on exciting with λ exci = 403 nm. Based on the Foster–Dexter theory, the possibility of energy transfer between Sm 3+ and Eu 3+ has been explained from the spectral overlap of Eu 3+ absorption and Sm 3+ emission. The optimized concentration 0.5 mol% of Eu 3+ is co-doped with Sm 3+ in various concentrations ranging from 0.1 to 1.5 mol% inorder to study the sensitization effect of Sm 3+ on Eu 3+ luminescence. The results have revealed that with the addition of Sm 3+ to Eu 3+ : BZn

1-[3-(2-Methyl-4-phenylquinolin-3-yl-5-phenyl-4,5-dihydro-1H-pyrazol-1-yl]-propane-1-one

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Allaoua Kedjadja

2015-06-01

Full Text Available A novel compound, 1-[3-(2-methyl-4-phenylquinolin-3-yl-5-phenyl-4,5-dihydro-1H-pyrazol-1-yl]-propane-1-one (3 has been synthesized by cyclocondensation of (E-1-(2-methyl-4-phenylquinolin-3-yl-3-phenylprop-2-en-1-one (2 and hydrazine hydrate in propionic acid. The structure of this compound was established by elemental analysis, IR, 1H-NMR, 13C-NMR and MS data.

Synthesis and Spectral Analysis of 3,4,5-trichloro-6-(dibenzo[d,f][1,3]diazepin-5-yl-[1,2]-benzoquinones

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Mohsen A. M. Gomaa

2011-01-01

Full Text Available Reaction of N1,N2-di-(4-methoxyphenyl- or N1,N2-di-(4-hydroxyphenyl -amidines (1a-d with 3,4,5,6-tetrachloro-1,2-benzoquinone (2 in ethyl acetate at room temperature led to formation of new 3,4,5-trichloro-6-(2-hydroxy-6-methyldibenzo[d,f][1,3]diazepin-5-yl[1,2]-benzoquinones (3a-d in addition to N-aryl-N'-(6,7,8,9-tetrachloro-4-hydroxydibenzo-[1,4]dioxin-2-ylacetamidines (4a,b. The rational of formation of products 3a-d and 4a,b was discussed and structures were confirmed on the basis of elemental analysis and spectral data.

Beginning HTML5 and CSS3 for dummies

CERN Document Server

Tittel, Ed

2013-01-01

Your full-color, friendly guide to getting started with HTML5 and CSS3! HTML and CSS are essential tools for creating dynamic websites and help make your websites even more effective and unique. This friendly-but-straightforward guide gets you started with the basics of the latest versions of HTML and CSS: HTML5 and CSS3. Introducing you to the syntax and structure of the languages, this helpful guide shows you how to create and view a web page, explains ideal usage of HTML5 and CSS3, walks you through the CSS3 rules and style sheets, addresses common mistakes and explains how to fix them, an

5 CFR 2411.3 - Delegation of authority.

Science.gov (United States)

2010-01-01

... 5 Administrative Personnel 3 2010-01-01 2010-01-01 false Delegation of authority. 2411.3 Section 2411.3 Administrative Personnel FEDERAL LABOR RELATIONS AUTHORITY, GENERAL COUNSEL OF THE FEDERAL LABOR... INFORMATION § 2411.3 Delegation of authority. (a) Chief FOIA Officer. The Chairman of the Federal Labor...

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

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V. Maisonneuve

2008-04-01

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

The down-conversion and up-conversion photoluminescence properties of Na0.5Bi0.5TiO3:Yb3+/Pr3+ ceramics

International Nuclear Information System (INIS)

Huang, Yinpeng; Luo, Laihui; Wang, Jia; Zuo, Qianghui; Yao, Yongjie; Li, Weiping

2015-01-01

Na 0.5 Bi 0.5−x−y Yb x Pr y TiO 3 (NBT:xYb/yPr) ceramics with different Yb and Pr contents are prepared. Both the down-conversion (DC) and up-conversion (UC) photoluminescence (PL) of the ceramics via 453 and 980 nm excitation, respectively, are investigated. The effect of Yb 3+ and Pr 3+ doping contents on the DC and UC PL is significantly different from each other. Furthermore, the UC PL of the ceramics as a function of temperatures is measured to investigate the UC process in detail. Based on energy level diagram of Pr 3+ and Yb 3+ ions and the DC and UC PL spectra, the DC and UC PL mechanisms of Pr 3+ and Yb 3+ ions are discussed. Especially, the UC PL mechanism is clarified, which is different from the previously reported literature. Also, the temperature sensing properties of the ceramics are studied based on the photoluminescence ratio technique, using the thermal coupling energy levels of Pr 3+

Application of 1-ethyl-3-(2,5-dihydro-4-(3,5-dimethyl-1H-pyrazol-4-yl) -5-oxo-1H-pyrazol-3-yl)thiourea as sensing material for construction of Tm3+-PVC membrane sensor

International Nuclear Information System (INIS)

Zamani, Hassan Ali; Feizyzadeh, Babak; Faridbod, Farnoush; Ganjali, Mohammad Reza

2011-01-01

A thulium(III) membrane sensor was made using 2% sodium tetraphenyl borate (NaTPB), 65% dibutylphthalate (DBP), 30% poly(vinyl chloride) (PVC) and 3% 1-ethyl-3-(2,5-dihydro-4-(3,5-dimethyl-1H-pyrazol-4-yl) -5-oxo-1H-pyrazol-3-yl)thiourea (ET) as an ionophore. Conductometric study shows selectivity of the Et toward Tm 3+ ions. Nernstian response of 19.6 ± 0.4 mV per decade of thulium concentration was observed, and the electrode worked well in concentration range of 1.0 x 10 -6 to 1.0 x 10 -2 mol L -1 with a lower detection limit (LDL) of 7.2 x 10 -7 mol L -1 , in a pH range of 4.3-10.4. The selectivity of the sensor over alkaline, alkaline earth, transition and heavy metal ions was also found to be in a satisfactory range. To check the analytical applicability of the proposed Tm 3+ sensor, it was successfully used as an indicator electrode in analysis of thulium in certified reference materials. - Research highlights: → This work reports development of polymeric membrane sensor for Tm3+ determination in certified reference materials. → The novelty of this work is based on the high affinity of the ionophore toward the Tm3+ ions which causes the high selectivity of the sensor. → The newly developed sensor is superior to the formerly reported Tm3+ sensors in terms of selectivity and detection limit.

4-Phenethylthio-2-phenylpyrazolo[1,5-a][1,3,5]triazin-7(6H-one

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Sergey A. Smolnikov

2017-12-01

Full Text Available Exploring the pharmacologically important pyrazolo[1,5-a][1,3,5]triazin-7(6H-one scaffold for the construction of new bioactive compounds, we developed a synthesis of 4-phenethylthio-2-phenylpyrazolo[1,5-a][1,3,5]triazin-7(6H-one (4 via S-alkylation of 2-phenyl-4-thioxopyrazolo[1,5-a][1,3,5]triazine-7(6H-one (3, prepared by the double ring closure of pyrazole and triazine rings upon the treatment of 1-cyanoacetyl-4-benzoylthiosemicarbazide (2 with alkali. The antiproliferative activity of 4 against human lung cancer (A549 and human breast cancer (MDA-MB231 cell lines was investigated. Compound 4 was found to be more active against lung cancer cells than breast cancer cells.

Photoluminescence and scintillation of LGS (La.sub.3./sub.Ga.sub.5./sub.SiO.sub.14./sub.), LNGA (La.sub.3./sub.Nb.sub.0.5./sub.Ga.sub.5.3./sub.Al.sub.0.2./sub.O.sub.14./sub.) and LTGA (La.sub.3./sub.Tb.sub.0.5./sub.Ga.sub.5.3./sub.Al.sub.0.2./sub.O.sub.14./sub.) single crystals

Czech Academy of Sciences Publication Activity Database

Futami, Y.; Yanagida, T.; Fujimoto, Y.; Jarý, Vítězslav; Pejchal, Jan; Yokota, Y.; Kikuchi, M.; Nikl, Martin; Yoshikawa, A.

2012-01-01

Roč. 34, č. 9 (2012), s. 1513-1516 ISSN 0925-3467 Grant - others:AV ČR(CZ) M100100910 Institutional research plan: CEZ:AV0Z10100521 Keywords : La 3 Ga 5 SiO 14 * La 3 Nb 0.5 Ga 5.3 Al 0.2 O 14 * La 3 Tb 0.5 Ga 5.3 Al 0.2 O 14 * α-ray * photoluminescence * scintillation Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 1.918, year: 2012

Water quality criteria for hexahydro-1,3,5-trinitro-1,3,5-triazine (RDX)

Energy Technology Data Exchange (ETDEWEB)

Etnier, E.L.

1989-04-01

The occurrence of the munitions compound hexahydro-1,3,5-trinitro-1,3,5-triazine (RDX) in groundwater surrounding Army ammunition plants may result in contamination of local drinking water supplies. RDX exerts its primary toxic effect in humans on the central nervous system, but also involves gastrointestinal and renal effects. Symptomatic effects following acute exposure include hyperirritability, nausea, vomiting, generalized epileptiform seizures, and prolonged postictal confusion and amnesia. Health effects data were analyzed for RDX, and although no controlled human studies exist concerning the acute or chronic toxic effects of exposure to RDX, sufficient animal toxicity data are available to derive an ambient water quality criterion for the protection of human health. This paper summarizes the available literature on metabolism of RDX and human and animal toxicity. Based on noncarcinogenic mammalian toxicity data, and following the methodologies of the U.S. Environmental Protection Agency, an ambient water quality criterion for the protection of human health of 103 micrograms/liter is proposed for ingestion of drinking water and aquatic foodstuffs. A criterion of 105 micrograms/liter is proposed for ingestion of drinking water alone.54 references.

Reactions of vanadium(5) with aluminium(3) in weakly acid aqueous solutions; Vzaimodejstvie mezhdu vanadiem(5) i alyhminiem(3) v slabokislykh vodnykh rastvorakh

Energy Technology Data Exchange (ETDEWEB)

Ditrikh, I V; Makhno, A Ya [Donetskij Gosudarstvennyj Univ., Donetsk (Ukraine)

1997-12-31

Conditions of vanadium(5) heteropolycompounds formation in aqueous solutions containing aluminium(3) have been studied. By the methods of potentiometry and conductometry in solutions of Al(NO{sub 3}){sub 3}-NaVO{sub 3} salt mixture the formation of complexes with the ratios [Al{sup 3+}]:[V{sup 5+}]=1:3, 1:6 and 1:12 has been ascertained. A salt of gross formula 3NaO {center_dot} (Al{sub 2}){sub 3} {center_dot} 12V{sub 2}O{sub 5} {center_dot} 67H{sub 2}O has been isolated. 3 refs.; 2 figs.

A practical and improved synthesis of (3S,5S)-3-[(tert-butyloxycarbonyl)methyl]- 5-[(methanesulfonyloxy)methyl]-2- pyrrolidinone.

Science.gov (United States)

Yee, Nathan K; Dong, Yong; Kapadia, Suresh R; Song, Jinhua J

2002-11-29

A practical and improved synthesis of (3S,5S)-3-[(tert-butyloxycarbonyl)methyl]-5-[(methanesulfonyloxy)methyl]-2-pyrrolidinone (1) is described. The key transformations involve a highly efficient reaction sequence consisting of ethoxycarbonylation, alkylation, hydrolysis, and decarboxylation to produce compound 10. The process described herein is practical, robust, and cost-effective, and it has been successfully implemented in a pilot plant to produce a multikilogram quantity of mesylate 1.

FABRICATION AND MECHANICAL PROPERTIES OF Na0.5Bi0.5TiO3–BaTiO3 LEAD-FREE PIEZOELECTRIC CERAMICS

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PAN YUSONG

2014-03-01

Full Text Available Piezoelectric ceramics with 0.94Na0.5Bi0.5TO3–0.06BaTiO3 compositions were fabricated by solid state mixed oxide method and sintered at different temperatures varying from 1050°C to 1150°C to obtain dense ceramics. Phase analysis using X-ray diffraction showed tetragonal perovskite structure of Na0.5Bi0.5TO3 with no BaTiO3 peak detected. The SEM observation revealed that the crystal grain size of the piezoelectric ceramics is on the nano-size dimensions under all the sintering temperature. The study on the compressive mechanical characteristics showed that the compressive strength of the 0.94Na0.5Bi0.5TO3–0.06BaTiO3 piezoelectric ceramics increases with the rise of sintering temperature and sintering time. The change behavior of the compressive strength with the rise of cold pressure presents increasing firstly and then decreases.

Thermo-physical characterization of the Fe_6_7Mo_6Ni_3_._5Cr_3_._5P_1_2C_5_._5B_2_._5 bulk metallic glass forming alloy

International Nuclear Information System (INIS)

Bochtler, Benedikt; Gross, Oliver; Gallino, Isabella; Busch, Ralf

2016-01-01

The iron-phosphorus based bulk metallic glass forming alloy Fe_6_7Mo_6Ni_3_._5Cr_3_._5P_1_2C_5_._5B_2_._5 is characterized with respect to its thermophysical properties, crystallization and relaxation behavior, as well as its viscosity. The alloy provides a high critical casting thickness of 13 mm, thus allowing for the casting of amorphous parts with a considerable size. Calorimetric measurements reveal the characteristic transformation temperatures, transformation enthalpies, and the specific heat capacity. The analyses show that no stable supercooled liquid region exists upon heating. The specific heat capacity data are used to calculate the enthalpy, entropy, and Gibbs free energy differences between the crystalline and the supercooled liquid state. The crystallization behavior of amorphous samples upon heating is analyzed by differential scanning calorimetry and X-ray diffraction, and a time-temperature-transformation diagram is constructed. Dilatometry is used to determine the thermal expansion behavior. The equilibrium viscosity below the glass transition as well as volume relaxation behavior are measured by three-point beam bending and dilatometry, respectively, to assess the kinetic fragility. With a kinetic fragility parameter of D* = 21.3, the alloy displays a rather strong liquid behavior. Viscosity above the melting point is determined using electromagnetic levitation in microgravity on a reduced gravity aircraft in cooperation with the German Aerospace Center (DLR). These high-temperature viscosity data are compared with the low-temperature three-point beam bending measurements. The alloy displays a strong liquid behavior at low temperatures and a fragile behavior at high temperatures. These results are analogous to the ones observed in several Zr-based bulk metallic glass forming liquids, indicating a strong to fragile liquid-liquid transition in the undercooled liquid, which is obscured by crystallization.

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

Directory of Open Access Journals (Sweden)

V. Sangeetha

2013-06-01

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

NQR and X-ray crystal structure studies of cadmium halide complexes: [C(NH2)3]CdI3 and [4-ClC6H5NH3]3CdBr5

International Nuclear Information System (INIS)

Gesing, Thorsten M.; Lork, Enno; Terao, Hiromitsu; Ishihara, Hideta

2016-01-01

The crystal structures of [C(NH 2 ) 3 ]CdI 3 (1) and [4-ClC 6 H 5 NH 3 ] 3 CdBr 5 (2) have been determined at 100 K: monoclinic, Cc, a = 828.75(3) pm, b = 1615.31(5) pm, c = 810.64(3) pm, and β = 106.5820(10) for 1; monoclinic, P2 1 /c, a = 1486.93(5) pm, b = 794.31(3) pm, c = 2290.59(7) pm, and β = 99.6830(10) for 2. The structure of 1 has an infinite chain of anions consisting of [CdI 4 ] tetrahedra sharing two corners. The structure of 2 has an infinite chain of anions consisting of [CdBr 6 ] octahedra sharing two corners in cis positions. In both structures, isolated cations are connected to the anion chains through weak hydrogen bonds Cd-X..H to result in three-dimensional network structures. In accordance with the crystal structures, three 127 I (m = ±1/2 <-> m = ±3/2), five 81 Br, and three 35 Cl nuclear quadrupole resonance (NQR) lines were observed for 1 and 2. The NQR spectra reflect the anion chain structures and their weak hydrogen bonds. The MO calculations of the models [Cd 5 I 16 ] 6- for 1 and [Cd 3 Br 16 ] 10- for 2 estimate only about half the values for the NQR frequencies but give accurate electric field gradient directions.

Determination of kinetic parameters in the systems Li0.5La0.5TiO3 and Li0.5La0.5TiO3/PANI by GITT (Galvanostatic intermittent titration technique)

International Nuclear Information System (INIS)

Pérez Cappe, Eduardo; Mosqueda Laffita, Yodalgis; Milian Pila, Carlos R.

2008-01-01

Full text: Oxides belonging to the family Li 3x La 2/3-x TiO 3 have been reported as materials of a high Ionic conductivity and a poor electronic conductivity at room temperature. The combination of these materials with other polymer in nature, such as polyaniline (PANI), of proven electronic properties, allows to obtain potentially applicable material in rechargeable Li. In this context the study of diffusive phenomena are of vital importance. A technical electrochemistry of intermittent rating (GITT), which combines state transient measurements and stationary, for the calculation of kinetic parameters in the Li 0.5 La 0.5 TiO 3 system and a composite comprising this oxide and PANI (Li 0.5 La 0.5 TiO 3 /PANI) in its conductive phase (emeraldine) is used in this work. Interesting considerations concerning shows the calculation of the numbers of ionic and electronic transport, necessary for the determination of coefficients of electronic dissemination. (author)

Giant strain with ultra-low hysteresis and high temperature stability in grain oriented lead-free K0.5Bi0.5TiO3-BaTiO3-Na0.5Bi0.5TiO3 piezoelectric materials.

Science.gov (United States)

Maurya, Deepam; Zhou, Yuan; Wang, Yaojin; Yan, Yongke; Li, Jiefang; Viehland, Dwight; Priya, Shashank

2015-02-26

We synthesized grain-oriented lead-free piezoelectric materials in (K0.5Bi0.5TiO3-BaTiO3-xNa0.5Bi0.5TiO3 (KBT-BT-NBT) system with high degree of texturing along the [001]c (c-cubic) crystallographic orientation. We demonstrate giant field induced strain (~0.48%) with an ultra-low hysteresis along with enhanced piezoelectric response (d33 ~ 190pC/N) and high temperature stability (~160°C). Transmission electron microscopy (TEM) and piezoresponse force microscopy (PFM) results demonstrate smaller size highly ordered domain structure in grain-oriented specimen relative to the conventional polycrystalline ceramics. The grain oriented specimens exhibited a high degree of non-180° domain switching, in comparison to the randomly axed ones. These results indicate the effective solution to the lead-free piezoelectric materials.

Genetics Home Reference: 5q31.3 microdeletion syndrome

Science.gov (United States)

... up of a patient with 5q31.3 microdeletion syndrome and the smallest de novo 5q31.2q31.3 deletion involving PURA. Mol Cytogenet. 2015 Nov 14;8:89. doi: 10.1186/s13039-015-0193-9. eCollection 2015. ... 5q31.3 Microdeletion syndrome: clinical and molecular characterization of two further cases. ...

Synthesis, magnetization and photocatalytic activity of LaFeO{sub 3} and LaFe{sub 0.5}Mn{sub 0.5-x}O{sub 3-{delta}}

Energy Technology Data Exchange (ETDEWEB)

Wei, Zhi-Xian, E-mail: zx_wei@126.com [Beijing Institute of Protective Materials and Technology, Beijing 100081 (China); School of Materials Science and Engineering, Beijing Institute of Technology, Beijing 100081 (China); Department of Chemistry, Science Institute, North University of China, Taiyuan, Shanxi 030051 (China); Wang, Yan [Department of Chemistry, Chengde Teachers College for Nationalities, Chengde, Hebei 067000 (China); Liu, Ji-Ping, E-mail: liujp@bit.edu.cn [Beijing Institute of Protective Materials and Technology, Beijing 100081 (China); School of Materials Science and Engineering, Beijing Institute of Technology, Beijing 100081 (China); Xiao, Cai-Mei; Zeng, Wei-Wei [Department of Chemistry, Science Institute, North University of China, Taiyuan, Shanxi 030051 (China)

2012-10-15

Perovskite LaFe{sub 0.5}Mn{sub 0.5}O{sub 3-{delta}} and LaFeO{sub 3} were synthesized by stearic acid solution combustion method. The obtained powders were characterized by X-ray powder diffraction (XRD), Scanning electron microscopy (SEM), Fourier transform infrared (FT-IR), Vibrating sample magnetometer (VSM), XPS techniques and UV-vis absorption spectra techniques. The magnetic properties of the LaFeO{sub 3} and LaFe{sub 0.5}Mn{sub 0.5}O{sub 3-{delta}} were measured, and they were also evaluated for their photocatalytic activity towards the degradation of methyl orange (MO) under the sunlight irradiation. The experimental results show that the catalytic activities of the LaFe{sub 0.5}Mn{sub 0.5}O{sub 3-{delta}} were much higher than those of LaFeO{sub 3} due to its higher oxygen vacancies, variable valency Mn ions and the strong absorption in visible light. The optimum conditions for photocatalytic degradation MO using LaFe{sub 0.5}Mn{sub 0.5}O{sub 3-{delta}} were achieved. The ferromagnetism of the LaFe{sub 0.5}Mn{sub 0.5}O{sub 3-{delta}} could be caused by the Mn{sup 3+}/Fe{sup 3+} and Mn{sup 3+}/Mn{sup 4+}double exchange interaction, Mn{sup 3+}/Mn{sup 3+} superexchange interactions as well as the defective state in LaFe{sub 0.5}Mn{sub 0.5}O{sub 3-{delta}}. The LaFe{sub 0.5}Mn{sub 0.5}O{sub 3-{delta}} is applicable to the magnetic separation process for its lower coercivity (Hc) and remanent magnetization (Mr), and it can be reusable and maintain relatively high activity. -- Highlights: Black-Right-Pointing-Pointer The LaFe{sub 0.5}Mn{sub 0.5}O{sub 3-{delta}} is a bifunctional photocatalyst. Black-Right-Pointing-Pointer The origin of the ferromagnetism of the LaFe{sub 0.5}Mn{sub 0.5}O{sub 3-{delta}} is discussed. Black-Right-Pointing-Pointer LaFe{sub 0.5}Mn{sub 0.5}O{sub 3-{delta}} shows much higher photocatalytic activity than that of LaFeO{sub 3.} Black-Right-Pointing-Pointer LaFe{sub 0.5}Mn{sub 0.5}O{sub 3-{delta}} can be recycled by an external magnetic

Electron-impact excitation cross sections of the higher argon 3p5np (n=5,6,7) levels

International Nuclear Information System (INIS)

Weber, Tobin; Boffard, John B.; Lin, Chun C.

2003-01-01

We have measured the electron-impact excitation cross sections for argon into the ten levels of 3p 5 5p configuration, as well as numerous levels of the 3p 5 6p and 3p 5 7p configurations. Fluorescence from the decay of the excited atoms to the levels of 3p 5 4s configuration was used to determine the optical-emission cross sections. These results were combined with transition probabilities to find apparent cross sections into the 3p 5 5p and 3p 5 6p levels. These new cross sections of the Ar(3p 5 np) levels along with the available Ne(2p 5 3p), Kr(4p 5 5p), and Xe(5p 5 6p) data help provide a global view of the excitation behaviors of the np 5 n ' p levels of the rare-gas series

Luminescent characteristics of UV excited Sr{sub 0.5}Ca{sub 0.5}TiO{sub 3}: Pr{sup 3+} reddish-orange phosphor

Energy Technology Data Exchange (ETDEWEB)

Vidyadharan, Viji; Mohan P, Remya; Joseph, Cyriac; Unnikrishnan, N.V.; Biju, P.R., E-mail: prb.mgu@gmail.com

2016-02-15

Pr{sup 3+} doped Sr{sub 0.5}Ca{sub 0.5}TiO{sub 3} phosphors were synthesised by solid state reaction process. The structure, surface morphology and photoluminescence of the prepared phosphors were analysed using XRD, SEM and photoluminescence spectroscopy respectively. The XRD pattern confirmed orthorhombic perovskite structure of the Sr{sub 0.5}Ca{sub 0.5}TiO{sub 3}: x Pr{sup 3+} phosphor. Agglomeration of particles with irregular shapes is observed from the SEM images. The emission spectra of Sr{sub 0.5}Ca{sub 0.5}TiO{sub 3}: x Pr{sup 3+} phosphor shows the samples can be effectively excited with UV light at 336 nm and exhibit a strong reddish-orange emission at 611 nm. Concentration dependence of emission intensity shows concentration quenching effect on increasing Pr{sup 3+} concentration after x = 0.1 because of dipole–dipole interaction. Using Blasse's formula, critical distance for energy transfer was calculated. The CIE co-ordinates, CCT, colour purity and luminescence decay of the prepared phosphors were also calculated. These results offer the prepared phosphor as a suitable candidate for various photonic applications. - Highlights: • Sr{sub 0.5}Ca{sub 0.5}TiO{sub 3}: x Pr{sup 3+} perovskite structured phosphors were synthesized. • Under UV excitation, the PL spectra show strong reddish-orange emission. • The emission from {sup 3}P{sub J} levels of Pr{sup 3+} were absent due to the presence of IVCT band. • Concentration quenching due to dipole–dipole interaction was observed. • For x = 0.1, sample shows a maximum emission intensity with 91.7% colour purity.

GENE EXPRESSION CHANGES IN ARABIDOPSIS THALIANA SEEDLING ROOTS EXPOSED TO THE MUNITION HEXAHYDRO-1,3,5-TRINITRO-1,3,5-TRIAZINE

Science.gov (United States)

Arabidopsis thaliana root transcriptome responses to the munition, hexahydro-1,3,5-trinitro-1,3,5-triazine (RDX), were assessed using serial analysis of gene expression (SAGE). Comparison of the transcriptional profile for the RDX response to a profile previously described for Ar...

Visualization of RELAP5-3D best estimate code

International Nuclear Information System (INIS)

Mesina, G.L.

2004-01-01

The Idaho National Engineering Laboratory has developed a number of nuclear plant analysis codes such as RELAP5-3D, SCDAP/RELAP5-3D, and FLUENT/RELAP5-3D that have multi-dimensional modeling capability. The output of these codes is very difficult to analyze without the aid of visualization tools. The RELAP5-3D Graphical User Interface (RGUI) displays these calculations on plant images, functional diagrams, graphs, and by other means. These representations of the data enhance the analysts' ability to recognize plant behavior visually and reduce the difficulty of analyzing complex three-dimensional models. This paper describes the Graphical User Interface system for the RELAP5-3D suite of Best Estimate codes. The uses of the Graphical User Interface are illustrated. Examples of user problems solved by use of this interface are given. (author)

Trinuclear Lanthanoid Complexes of 1,3,5-Triamino-1,3,5-trideoxy-cis-inositol with a Unique, Sandwich-Type Cage Structure(1).

Science.gov (United States)

Hedinger, Roman; Ghisletta, Michele; Hegetschweiler, Kaspar; Tóth, Eva; Merbach, André E.; Sessoli, Roberta; Gatteschi, Dante; Gramlich, Volker

1998-12-28

A variety of trinuclear complexes [M(3)(H(-)(3)L)(2)](3+) [M = Y, La, Eu, Gd, Dy; L = 1,3,5-triamino-1,3,5-trideoxy-cis-inositol (taci) and 1,3,5-trideoxy-1,3,5-tris(dimethylamino)-cis-inositol (tdci)] was prepared as solid materials of the composition M(3)(H(-)(3)L)(2)X(3).pH(2)O.qEtOH (X = Cl, NO(3); 2.5 3)(H(-)(3)taci)(2)(H(2)O)(4)Cl]Cl(2).3H(2)O and [Gd(3)(H(-)(3)taci)(2)(H(2)O)(6)]Cl(3).3H(2)O were elucidated by single-crystal X-ray diffraction studies. The La complex crystallizes in the orthorhombic space group Pbca, a = 17.10(2) Å, b = 16.20(4) Å, c = 20.25(4) Å, Z = 8 for C(12)Cl(3)H(38)La(3)N(6)O(13). The Gd complex crystallizes in the monoclinic space group P2(1)/n, a = 10.294(3) Å, b = 15.494(5) Å, c = 19.994(6) Å, beta = 95.36(2) degrees, Z = 4 for C(12)Cl(3)Gd(3)H(42)N(6)O(15). The two complexes exhibited a unique, sandwich-type cage structure, where the two triply deprotonated taci ligands encapsulate an equilateral triangle of the three metal centers. The metal cations are coordinated to the equatorial, terminal amino groups and are bridged by the axial &mgr;(2)-alkoxo groups. The coordination spheres are completed by additional peripheral ligands such as H(2)O or Cl(-) counterions. The coordination number of the metal cations is 8. Magnetic susceptibility measurements of the Gd complex revealed very weak antiferromagnetic coupling interactions between the three Gd centers. Complex formation and species distribution in aqueous solution was investigated by potentiometry and pD-dependent NMR spectroscopy. An exclusive formation of the [Eu(3)(H(-)(3)taci)(2)](3+) unit in solution was found in the range 7

Pyridinium 5-[(1,3-diethyl-6-hydroxy-4-oxo-2-thioxo-1,2,3,4-tetrahydropyrimidin-5-yl(2-methoxyphenylmethyl]-1,3-diethyl-4,6-dioxo-2-thioxopyrimidin-5-ide

Directory of Open Access Journals (Sweden)

Abdullah Mohamed Asiri

2009-08-01

Full Text Available 1,3-Diethyl-2-thiobarbituric acid reacts with 2-anisaldehyde to form the Michael addition product 2-anisylbis(1,3-diethyl-2-thiobarbitur-5-ylmethanate, which crystallizes as the title pyridinium salt, C5H6N+·C24H29N4O5S2−, when it reacts with the pyridine used to catalyse the reaction. There are two independent ion pairs in the crystal structure. The anion features a methine C atom connected to three six-membered rings; one of the rings carries a hydroxy group, which engages in hydrogen bonding with the carbonyl group belonging to another ring. The monoclinic unit cell emulates an orthorhombic unit cell, and is a twin with a minor twin component of 35%.

5-(4-Cyano-5-dicyanomethylene-2,2-dimethyl-2,5-dihydro-3-furyl-3-(1-methyl-1,4-dihydropyridin-4-ylidenepent-4-enyl 3,5-bis(benzyloxybenzoate acetonitrile 0.25-solvate: a synchrotron radiation study

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Andrew J. Kay

2009-12-01

Full Text Available The title compound, C42H36N4O5·0.25CH3CN, crystallizes with a partial twofold disordered (1/4 acetonitrile solvent of crystallization. The linking atoms to the 3,5-bis(benzyloxybenzoic acid are disordered between two conformations in the ratio 0.780 (6:0.220 (6. In the crystal, the molecules pack using mainly C—H...N(cyano interactions coupled with weak C—H...O(ether interactions and C—H...π interactions. A brief comparison is made between a conventional and this synchrotron data collection.

Crystal and molecular structure of the coordination compounds of Er3+ with 1-(methoxydiphenylphosphoryl)-2-diphenylphosphorylbenzene [ErL21(NO3)2]2[Er(NO3)2(H2O)5]0.333(NO3)2.333 · 2.833H2O and its ethyl substituted derivative [ErL22(NO3)2][Er(NO3)5]0.5 · 0.5H2O

International Nuclear Information System (INIS)

Polyakova, I. N.; Baulin, V. E.; Ivanova, I. S.; Pyatova, E. N.; Sergienko, V. S.; Tsivadze, A. Yu.

2015-01-01

The coordination compounds of Er 3+ with 1-(methoxydiphenylphosphoryl)-2-diphenylphosphorylbenzene [ErL 2 1 (NO 3 ) 2 ] 2 [Er(NO 3 ) 2 (H 2 O) 5 ] 0.333 (NO 3 ) 2.333 · 2.833H 2 O (I) and its ethyl substituted derivative [ErL 2 2 (NO 3 ) 2 ][Er(NO 3 ) 5 ] 0.5 · 0.5H 2 O (II) are synthesized and their crystal structures are studied. I and II contain [ErL 2 (NO 3 ) 2 ] + complex cations of identical composition and close structure. The eight-vertex polyhedron of the Er atom in the shape of a distorted octahedron with two split trans vertices is formed by the O atoms of the phosphoryl groups of L ligands and nitrate anions. L ligands close nine-membered metallocycles. The structures contain spacious channels which are populated differently, namely, by disordered [Er(NO 3 ) 2 (H 2 O) 5 ] + complex cations, NO 3 − anions, and crystallization water molecules in I and disordered [Er(NO 3 ) 5 ] 2− complex anions and crystallization water molecules in II. The IR spectra of I and II are studied

39 CFR 3.5 - Delegation of authority by Board.

Science.gov (United States)

2010-07-01

... 39 Postal Service 1 2010-07-01 2010-07-01 false Delegation of authority by Board. 3.5 Section 3.5 Postal Service UNITED STATES POSTAL SERVICE THE BOARD OF GOVERNORS OF THE U.S. POSTAL SERVICE BOARD OF GOVERNORS (ARTICLE III) § 3.5 Delegation of authority by Board. As authorized by 39 U.S.C. 402, these bylaws...

Novel Reaction of N,N'-Bisarylmethanediamines with Formaldehyde. Synthesis of Some New 1,3,5-Triaryl-1,3,5-hexahydrotriazines

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Abolfazl Olyaei

2006-07-01

Full Text Available The acid-catalyzed cyclocondensation of N,N'-bisaryl (aryl = 2-pyrimidinyl, 2- pyrazinyl and 4-nitrophenyl methanediamines 5a-c with aqueous formaldehyde in refluxing acetonitrile leads to the formation of the corresponding 1,3,5-triaryl-1,3,5-hexa- hydrotriazines 6a-c. The stoichiometric reactions of 2-aminopyrimidine and 2-amino- pyrazine with aqueous formaldehyde in acetonitrile under reflux conditions also afforded 6a and 6b, respectively. Treatment of 2-aminopyrimidine with aqueous formaldehyde in a 3:2 ratio yielded N,N',N"-tris(2-pyrimidinyldimethylenetriamine (7a as a sole product, which upon subsequent reaction with formaldehyde also afforded 6a. The reaction of N,N'-biphenylmethanediamine with formaldehyde was also investigated.

Synthesis of 1-(4-methylsulfone-phenyl)-5-(4-fluoro-phenyl)-5-[14C]-1,2,3- triazole and 1-(4-sulfonamide-phenyl)-5-(4-fluoro-phenyl)-5-[14C]-1,2,3- triazole as novel carbon-14 anticonvulsant

International Nuclear Information System (INIS)

Saemian, N.; Shirvani, G.; Matloubi, H.

2006-01-01

Two 1,2,3-triazole anticonvulsants, 1-(4-methylsulfone-phenyl)-5-(4-fluoro-phenyl)-5-[ 14 C]-1,2,3-triazole and 1-(4-sulfonamide-phenyl)-5-(4- fluoro-phenyl)-5-[ 14 C]-1,2,3-triazole, both labeled with carbon-14 in the 5-position were prepared from para-fluoro-benzonitrile-[cyano- 14 C]. (author)

Bi∼3.785Cd∼3.575Cu∼1.5(PO4)3.5O5.5, a new arrangement of double (n=2) and triple (n=3) [M4Bi2n-2O2n]x+ polycationic ribbons in the bismuth-transition metal oxy-phosphate series

International Nuclear Information System (INIS)

Colmont, Marie; Huve, Marielle; Abraham, Francis; Mentre, Olivier

2004-01-01

This work is dedicated to investigation of new disordered bismuth-containing oxy-phosphates compounds with an original structure type. As previously observed in this series, they are formed of [M 4 Bi 2n-2 O 2n ] x+ polycationic ribbons of width n O(Bi,M) 4 tetrahedra, surrounded by PO 4 groups. In the new crystal structure type, double (=D), triple (=T) and tunnels (=t) alternate along a common axis obeying the TtDtTtDt/TTtTTt sequence in respect to a nomenclature previously described and recalled in this work. The existence this new polymorph has first been detected by electron diffraction in a multi-phased sample. Then, the crystal structure type, i.e., the TtDtTtDt/TTtTTt sequence, has been deduced from HREM images help to a contrast-interpreting code available for these series of polycations-formed compounds. The subsequent compounds formulation leads to a number of new materials that verify the general formula: [Bi 2 (Bi,M) 4 O 4 ] 2 [Bi 4 (Bi,M) 4 O 6 ] 6 (PO 4 ) 28 M x , with x= 2+ , Cd 2+ cations. Single crystals of the nominal [O6Bi 4.57 Cd 3.43 ] 4 +8.57 [O 6 Bi 4 Cd 4 ] 2 +8 [O 4 Bi 2 Cd 3.56 Cu 0.44 ] 2 +6 (PO 4 ) 28 Cu 10.86 have been prepared in a further stage and confirms the predicted crystal structure, Bi ∼3.785 Cd ∼3.575 Cu ∼1.5 (PO 4 ) 3.5 O 5.5 , a=11.506(8)A, b=5.416(4)A, c=53.94 (4)A, β=90.10(1) o , RF=0.0835, RwF=0.0993, SG=A2/m, Z=8. As already observed for other elements of this family such as Bi ∼1.2 M ∼1.2 O 1.5 (PO 4 ), Bi ∼6.2 Cu ∼6.2 O 8 (PO 4 ) 5 or Bi ∼3 Cd ∼3.72 M ∼1.28 O 5 (PO 4 ) 3 (M=Cu, Co, Zn), this compound shows an additional example of PO 4 disorder due to the presence of mixed Bi 3+ /M 2+ sites at the edges of ribbons. The origin and consequence of this so-called disorder mostly occurring on PO 4 configurations is intensively discussed and has been characterized by infrared spectroscopy and by neutron diffraction on similar compounds. It is noticeable that the great number of antagonist PO 4

Crystal and magnetic study of the disordered perovskites Ca(Mn{sub 0.5}Sb{sub 0.5})O{sub 3} and Ca(Fe{sub 0.5}Sb{sub 0.5})O{sub 3}

Energy Technology Data Exchange (ETDEWEB)

Retuerto, M., E-mail: mretuerto@icmm.csic.es [Instituto de Ciencia de Materiales de Madrid, CSIC, Energia, Medio Ambiente y Tecnologias Sostenibles, Sor Juana Ines de la Cruz 3, Cantoblanco, E-28049 Madrid (Spain); Martinez-Lope, M.J.; Garcia-Hernandez, M. [Instituto de Ciencia de Materiales de Madrid, CSIC, Energia, Medio Ambiente y Tecnologias Sostenibles, Sor Juana Ines de la Cruz 3, Cantoblanco, E-28049 Madrid (Spain); Munoz, A. [Departamento de Fisica Aplicada, EPS, Universidad Carlos III, Avda. Universidad 30, E-28911 Leganes-Madrid (Spain); Fernandez-Diaz, M.T. [Institut Max Von Laue Paul Langevin, F-38042 Grenoble (France); Alonso, J.A. [Instituto de Ciencia de Materiales de Madrid, CSIC, Energia, Medio Ambiente y Tecnologias Sostenibles, Sor Juana Ines de la Cruz 3, Cantoblanco, E-28049 Madrid (Spain)

2010-10-15

We have investigated the double perovskites Ca{sub 2}MSbO{sub 6} (M = Mn, Fe) that have been prepared by solid-state reaction (M = Fe) and wet chemistry procedures (M = Mn). The crystal and magnetic structures have been studied from X-ray (XRD) and neutron powder diffraction (NPD) data. Rietveld refinements show that the crystal structures are orthorhombic (space group Pbnm) with complete disorder of M and Sb cations, so the formula should be rewritten as Ca(M{sub 0.5}Sb{sub 0.5})O{sub 3}. Due to this disorder no evidences of Jahn-Teller distortion can be observed in the MnO{sub 6} octahedra of Ca(Mn{sub 0.5}Sb{sub 0.5})O{sub 3}, in contrast with the ordered double perovskite Sr{sub 2}MnSbO{sub 6}. Ca(Fe{sub 0.5}Sb{sub 0.5})O{sub 3} behaves as an antiferromagnet with an ordered magnetic moment for Fe{sup 3+} of 1.53(4){mu}{sub B} and a propagation vector k = 0, as investigated by low-temperature NPD. The antiferromagnetic ordering is a result of the high degree of Fe/Sb anti-site disorder of the sample, which originates the spontaneous formation of Fe-rich islands, characterized by the presence of strong Fe-O-Fe antiferromagnetic couplings with enough long-range coherence to produce a magnetic contribution perceptible by NPD. By contrast, the magnetic structure of Ca(Mn{sub 0.5}Sb{sub 0.5})O{sub 3} cannot be observed by low-temperature NPD because the magnitude of the ordered magnetic moments is below the detection threshold for neutrons.

Oxygen vacancy as fatigue evidence of La0.5Sr0.5CoO3/PbZr0.4Ti0.6O3/La0.5Sr0.5CoO3 capacitors

Science.gov (United States)

Liu, B. T.; Chen, J. E.; Sun, J.; Wei, D. Y.; Chen, J. H.; Li, X. H.; Bian, F.; Zhou, Y.; Guo, J. X.; Zhao, Q. X.; Guan, L.; Wang, Y. L.; Guo, Q. L.; Ma, L. X.

2010-09-01

La0.5Sr0.5CoO3 (LSCO) films grown on SrTiO3 substrates, cooled at reduced oxygen pressures, ranging from 8×104 to 1×10-4 Pa, from the depostion temperature, are used as the bottom electrodes of PbZr0.4Ti0.6O3 (PZT) capacitors to study the impact of oxygen stoichiometry of the LSCO bottom electrodes on the structural and physical properties of LSCO/PZT/LSCO capacitors. It is found that the tetragonality, polarization and fatigue-resistance of PZT films decrease with the decrease of the cooling oxygen pressure. Almost 60% polarization degradation occurs for the PZT capacitor with the LSCO bottom electrode cooled in 1×10-4 Pa oxygen up to 1010 switching cycles, indicating that the oxygen vacancy of the bottom electrode can result in fatigue of the LSCO/PZT/LSCO capacitor.

Upconversion luminescence of Er3+/Yb3+ doped Sr5(PO4)3OH phosphor powders

Science.gov (United States)

Mokoena, P. P.; Swart, H. C.; Ntwaeaborwa, O. M.

2018-04-01

Sr5(PO4)3OH co-doped with Er3+and Yb3+ powder phosphors were synthesized by urea combustion method. The crystal structure was analyzed using X-ray diffraction (XRD). Particle morphology was analyzed using a Jeol JSM 7800F thermal field emission scanning electron microscope (FE-SEM) and the chemical composition analysis was carried out using an Oxford Instruments AzTEC energy dispersive spectrometer (EDS) attached to the FE-SEM. Upconversion emission was measured by using a FLS980 Spectrometer equipped with a 980 nm NIR laser as the excitation source, and a photomultiplier (PMT) detector. The XRD data of the Sr5(PO4)3OH powder exhibited characteristic diffraction patterns of the hexagonal structure referenced in the standard JCPDS card number 00-033-1348. The sharp peaks revealed the formation of crystalline Sr5(PO4)3OH. The powders were made up of hexagonal nanospheres. The enhanced red emission due to the 4F9/2 → 4I15/2 transitions of Er3+ was observed and was attributed to up conversion (UC) energy transfer from Yb3+. The upconversion energy transfer mechanism from Yb3+ to Er3+ is discussed.

1-[3-(2-Benzyloxy-6-hydroxy-4-methylphenyl-5-[3,5-bis(trifluoromethylphenyl]-4,5-dihydro-1H-pyrazol-1-yl]propane-1-one

Directory of Open Access Journals (Sweden)

U. H. Patel

2013-06-01

Full Text Available In the title compound, C28H24F6N2O3, the mean plane of the central pyrazoline ring forms dihedral angles of 2.08 (9 and 69.02 (16° with the 2-benzyloxy-6-hydroxy-4-methylphenyl and 3,5-bis(trifluoromethylphenyl rings, respectively. The dihedral angle between the mean planes of the pyrazoline and 3,5-bis(trifluoromethylphenyl rings is 68.97 (9°. An intramolecular O—H...N hydrogen bond is observed, which forms an S(6 graph-set motif. In the crystal, pairs of weak C—H...F halogen interactions link the molecules into inversion dimers while molecular chains along [100] are formed by C—H...O contacts.

Crystal structure and optical absorption spectra of Ga{sub 0.5}Fe{sub 0.5}InS{sub 3} and Ga{sub 0.5}Fe{sub 0.25}In{sub 1.25}S{sub 3} crystals; Struktura i opticheskoe pogloshchenie kristallov Ga{sub 0.5}Fe{sub 0.5}InS{sub 3} i Ga{sub 0.5}Fe{sub 0.25}In{sub 1.25}S{sub 3}

Energy Technology Data Exchange (ETDEWEB)

Gusejnov, G G; Musaeva, N N; Kyazumov, M G [NAN Azerbajdzhana, Inst. Fiziki, Baku (Azerbaijan); Asadova, I B; Aliev, O M [NAN Azerbajdzhana, Inst. Neorganicheskoj i Fizicheskoj Khimii, Baku (Azerbaijan)

2003-09-01

Single crystals of Ga{sub 0.5}Fe{sub 0.5}InS{sub 3} are grown by the method of chemical gas-transport reactions and those of Ga{sub 0.5}Fe{sub 0.25}In{sub 1.25}S{sub 3} - by Bridgman method. X-ray diffraction studies reveal that they crystallize in trigonal and rhombohedral systems with lattice parameters of a = 3.796 x 2 A, c = 12.210 A, P3m1; a = 3.786 x 2 A, c = 36.606 A, R3m, respectively. An optical absorption edge in a wide range of photon energy and an energy gap width are determined: E{sub g} = 1.885 eV for Ga{sub 0.5}Fe{sub 0.5}InS{sub 3} and E{sub g} 1.843 eV for Ga{sub 0.5}Fe{sub 0.25}In{sub 1.25}S{sub 3}.

Physicochemical Properties of α-Form Hydrated Crystalline Phase of 3-(10-Carboxydecyl)-1,1,1,3,5,5,5-heptamethyl Trisiloxane/Higher alcohol/Polyoxyethylene (5 mol) Glyceryl monostearate/Water System.

Science.gov (United States)

Uyama, Makoto; Araki, Hidefumi; Fukuhara, Tadao; Watanabe, Kei

2018-06-07

The α-form hydrated crystalline phase (often called as an α-gel) is one of the hydrated crystalline phases which can be exhibited by surfactants and lipids. In this study, a novel system of an α-form hydrated crystal was developed, composed of 3-(10-carboxydecyl)-1,1,1,3,5,5,5-heptamethyl trisiloxane (CDTS), polyoxyethylene (5 mol) glyceryl monostearate (GMS-5), higher alcohol. This is the first report to indicate that a silicone surfactant can form an α-form hydrated crystal. The physicochemical properties of this system were characterized by small and wide angle X-ray scattering (SWAXS), differential scanning calorimetry (DSC), and diffusion-ordered NMR spectroscopy (DOSY) experiments. SWAXS and DSC measurements revealed that a plurality of crystalline phases coexist in the CDTS/higher alcohol/water ternary system. By adding GMS-5 to the ternary system, however, a wide region of a single α-form hydrated crystalline phase was obtained. The self-diffusion coefficients (D sel ) from the NMR measurements suggested that all of the CDTS, GMS-5, and higher alcohol molecules were incorporated into the same α-form hydrated crystals.

The Role of Biotransformation and Oxidative Stress in 3,5-Dichloroaniline (3,5-DCA) Induced Nephrotoxicity in Isolated Renal Cortical Cells from Male Fischer 344 Rats

Science.gov (United States)

Racine, Christopher R.; Ferguson, Travis; Preston, Debbie; Ward, Dakota; Ball, John; Anestis, Dianne; Valentovic, Monica; Rankin, Gary O.

2016-01-01

Among the mono- and dichloroanilines, 3,5-Dichloroaniline (3,5-DCA) is the most potent nephrotoxicant in vivo and in vitro. However, the role of renal biotransformation in 3,5-DCA induced nephrotoxicity is unknown. The current study was designed to determine the in vitro nephrotoxic potential of 3,5-DCA in isolated renal cortical cells (IRCC) obtained from male Fischer 344 rats, and the role of renal bioactivation and oxidative stress in 3,5-DCA nephrotoxicity. IRCC (~4 million cells/ml) from male rats were exposed to 3,5-DCA (0-1.0 mM) for up to 120 min. In IRCC, 3,5-DCA was cytotoxic at 1.0 mM by 60 min as evidenced by the increased release of lactate dehydrogenase (LDH), but 120 min was required for 3,5-DCA 0.5 mM to increase LDH release. In subsequent studies, IRCC were exposed to a pretreatment (antioxidant or enzyme inhibitor) prior to exposure to 3,5-DCA (1.0 mM) for 90 min. Cytotoxicity induced by 3,5-DCA was attenuated by pretreatment with inhibitors of flavin-containing monooxygenase (FMO; methimazole, N-octylamine), cytochrome P450 (CYP; piperonyl butoxide, metyrapone), or peroxidase (indomethacin, mercaptosuccinate) enzymes. Use of more selective CYP inhibitors suggested that the CYP 2C family contributed to 3,5-DCA bioactivation. Antioxidants (glutathione, N-acetyl-L-cysteine, α-tocopherol, ascorbate, pyruvate) also attenuated 3,5-DCA nephrotoxicity, but oxidized glutathione levels and the oxidized/reduced glutathione ratios were not increased. These results indicate that 3,5-DCA may be activated via several renal enzyme systems to toxic metabolites, and that free radicals, but not oxidative stress, contribute to 3,5-DCA induced nephrotoxicity in vitro. PMID:26808022

P - aminobenzoic - 3,5 - T acid

International Nuclear Information System (INIS)

Mihaila, V.; Corol, Delia

1999-01-01

The p-aminobenzoic acid (PABA) is used in the treatment of rheumatoid arthritis and dermatological diseases. The tritium labelling of PABA leads to the elucidation of essential biomedical aspects concerning the collagen behavior. The process of tritium introduction into the PABA molecule consists of two steps: 1. Bromination of PABA with elemental bromine in 3 and 5 positions; 2. Replacement of bromine with tritium by a substitution catalytic reaction.. PABA - 3,5 - T is purified by thin layer preparative chromatography and is characterized radiochemically by radioactivity measurements carried out by liquid scintillators. The chemical concentration is determined by UV spectrophotometry. The quenching is estimated using a calibration curve of the pure product. The specific activities (about 50-60 Ci/mM) allow very sensitive biomedical studies to be performed. (authors)

4-Diethylamino-3,5-diisopropylbenzaldehyde

Directory of Open Access Journals (Sweden)

Christoph Wink

2011-12-01

Full Text Available The title benzaldehyde, C17H27NO, was prepared via lithiation of bromoaniline and reaction with DMF. In the crystal, the molecule adopts a C2-symmetrical conformation; nevertheless, two modes of disorder are present: the orientation of the aldehyde group (occupancy ratio 0.5:0.5 and of symmetry-equivalent ethyl groups [occupancy ratio 0.595 (7:0.405 (7]. The phenylene ring and the carbonyl group are essentially coplanar [C—C—C—O torsion angle = −179.0 (4°] but the dihedral angle between the mean planes of the phenylene ring and the amino group = 67.5 (2°. This and the long [1.414 (3 Å] aniline C—N bond indicate electronic decoupling between the carbonyl and amino groups. The angle sum of 359.9 (2° around the N atom results from steric compression-induced rehybridization.

3',5'-diiodothyronine in health and disease: studies by a radioimmunoassay

International Nuclear Information System (INIS)

Chopra, I.J.; Geola, F.; Solomon, D.H.; Maciel, R.M.B.

1978-01-01

An RIA has been developed for 3'5'-diiiodothyronine (3',5'-T 2 ) in unextracted serum. Interference in binding of radioactive 3',5'-T 2 to anti-3',5'-T 2 was minimized by using phosphate buffer and merthiolate. The detection threshold of the RIA was 2.5 ng/dl. Recovery of nonradioactive 3',5'-T 2 averaged 99%. T 4 , T 3 , and rT 3 cross-reacted with anti-3',5'-T 2 antibody 0.0025, 2 concentrations in ng/dl were 2.4 in 53 normal subjects, 4.2 in 7 hypothyroid patients, 14.9 in 34 hyperthyroid patients, 13.5 in 25 patients with hepatic cirrhosis, and 14.3 in 31 newborns' cord blood serum. The values for the latter four groups were significantly different from normal. The serum 3',5'-T 2 concentration of 7.7 ng/dl in eight subjects in the third trimester of pregnancy did not differ from normal when serum T 4 and T 3 were elevated. Oral administration of 300 μg rT 3 to 9 normal subjects led to an increase in serum 3'5'-T 2 concentration of 45% at 1h. Total fasting in 3 obese subjects was associated with an increase in serum 3',5'-T 2 from 8.6 to 16.3 ng/dl at 6 to 8 days; rT 3 increased similarly, while T 3 decreased and T 4 did not change. Administration of dexamethasone to 4 hyperthyroid patients was associated with nearly parallel increases in serum 3',5'-T 2 and rT 3 and a decrease in T 3 . The 3',5'-T 2 concentrations in amniotic fluids were 15.2 ng/dl at 15 to 20 weeks gestation and 5.8 ng/dl at 33 to 40 weeks. Pronase hydrolysates of 9 normal thyroid glands contained 350 μgT 4 and 0.24 μg 3',5'-T 2 /g wet wt. It was estimated that thyroidal secretion contributes 2 in serum of normal man. The data suggest that 3',5'-T 2 is a normal component of human serum and almost all 3',5'-T 2 in serum derives from extrathyroidal sources

Synthesis and Antitumor Activity of 3-Methyl-4-oxo-3,4-dihydroimidazo [5,1-d][1,2,3,5]tetrazine-8-carboxylates and -carboxamides

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Lin-Xiang Zhao

2010-12-01

Full Text Available Seventeen novel 3-methyl-4-oxo-3,4-dihydroimidazo[5,1-d][1,2,3,5]tetrazine-8-carboxylate and -carboxamide derivatives were synthesized and evaluated for their growth inhibition in seven human solid tumor and a human leukemia HL-60 cell lines. Compound IVa showed more activity than the other compounds and the positive control temozolomide. In the presence of 40 mg/mL of IVa, the survival rate of all tested tumor cells was less than 10%. Esters displayed more potent antitumour activity than amides and temozolomide against HL-60 cells. These compounds also exhibited considerably enhanced water-solubility.

Biosynthesis of tert-butyl (3R,5S)-6-chloro-3,5-dihydroxyhexanoate by carbonyl reductase from Rhodosporidium toruloides in mono and biphasic media.

Science.gov (United States)

Liu, Zhi-Qiang; Wu, Lin; Zheng, Ling; Wang, Wen-Zhong; Zhang, Xiao-Jian; Jin, Li-Qun; Zheng, Yu-Guo

2018-02-01

tert-Butyl (3R,5S)-6-chloro-3,5-dihydroxyhexanoate ((3R,5S)-CDHH) is the key intermediate for synthesis of atorvastatin and rosuvastatin. Carbonyl reductase exhibits excellent activity toward tert-butyl (S)-6-chloro-5-hydroxy-3-oxohexanoate ((S)-CHOH) to synthesize (3R,5S)-CDHH. In this study, a whole cell biosynthesis reaction system to produce (3R,5S)-CDHH was constructed in organic solvents. A solution of 10% (v/v) Tween-80 was introduced to the reaction system as a co-solvent, which greatly enhanced biotransformation process, giving 98.9% yield, >99% ee and 1.8-fold higher space time yield in 5 h bioconversion of 1 M (S)-CHOH, compared with 98.7% yield and >99% ee in 9 h bioconversion of a purely aqueous reaction system. Moreover, a water-octanol biphasic reaction system was built and 20% of octanol was added as reservoir of substrate resulting in 98% yield, >99% ee and 4.08 mmol L -1  h -1  g -1 (wet cell weight) space time yield. This study paved a way for the whole cell biosynthesis of (3R,5S)-CDHH in mono and biphasic media. Copyright © 2017 Elsevier Ltd. All rights reserved.

Application of 1-ethyl-3-(2,5-dihydro-4-(3,5-dimethyl-1H-pyrazol-4-yl) -5-oxo-1H-pyrazol-3-yl)thiourea as sensing material for construction of Tm{sup 3+}-PVC membrane sensor

Energy Technology Data Exchange (ETDEWEB)

Zamani, Hassan Ali, E-mail: haszamani@yahoo.com [Department of Applied Chemistry, Quchan branch, Islamic Azad University, Quchan (Iran, Islamic Republic of); Feizyzadeh, Babak [Department of Applied Chemistry, Quchan branch, Islamic Azad University, Quchan (Iran, Islamic Republic of); Faridbod, Farnoush; Ganjali, Mohammad Reza [Center of Excellence in Electrochemistry, Faculty of Chemistry, University of Tehran, Tehran (Iran, Islamic Republic of)

2011-10-10

A thulium(III) membrane sensor was made using 2% sodium tetraphenyl borate (NaTPB), 65% dibutylphthalate (DBP), 30% poly(vinyl chloride) (PVC) and 3% 1-ethyl-3-(2,5-dihydro-4-(3,5-dimethyl-1H-pyrazol-4-yl) -5-oxo-1H-pyrazol-3-yl)thiourea (ET) as an ionophore. Conductometric study shows selectivity of the Et toward Tm{sup 3+} ions. Nernstian response of 19.6 {+-} 0.4 mV per decade of thulium concentration was observed, and the electrode worked well in concentration range of 1.0 x 10{sup -6} to 1.0 x 10{sup -2} mol L{sup -1} with a lower detection limit (LDL) of 7.2 x 10{sup -7} mol L{sup -1}, in a pH range of 4.3-10.4. The selectivity of the sensor over alkaline, alkaline earth, transition and heavy metal ions was also found to be in a satisfactory range. To check the analytical applicability of the proposed Tm{sup 3+} sensor, it was successfully used as an indicator electrode in analysis of thulium in certified reference materials. - Research highlights: {yields} This work reports development of polymeric membrane sensor for Tm3+ determination in certified reference materials. {yields} The novelty of this work is based on the high affinity of the ionophore toward the Tm3+ ions which causes the high selectivity of the sensor. {yields} The newly developed sensor is superior to the formerly reported Tm3+ sensors in terms of selectivity and detection limit.

Candida Rugosa Lipase-catalyzed Kinetic Resolution of 3-(Isobutyryloxy)methyl 4-[2-(Difluoromethoxy)phenyl]-2-methyl-5,5-dioxo-1,4-dihydrobenzothieno[3,2-b]pyridine-3-carboxylate

NARCIS (Netherlands)

Sobolev, A.; Zhalubovskis, R.; Franssen, M.C.R.; Vigante, B.; Chekavichus, B.; Duburs, G.; Groot, de Æ.

2004-01-01

The lipase-catalyzed kinetic resolution of 3-(isobutyryloxy)methyl 4-[2-(difluoromethoxy)phenyl]-2-methyl-5,5-dioxo-1,4-dihydrobenzothieno[3,2-b]pyridine-3-carboxylate has been performed. The most enantioselective reaction (E = 28) was transesterification with n-butanol in water-saturated toluene at

Conventional kinesin KIF5B mediates adiponectin secretion in 3T3-L1 adipocytes

Energy Technology Data Exchange (ETDEWEB)

Cui, Ju, E-mail: juzi.cui@gmail.com [The Key Laboratory of Geriatrics, Beijing Hospital and Beijing Institute of Geriatrics, Beijing (China); Pang, Jing; Lin, Ya-Jun; Jiang, Ping; Gong, Huan [The Key Laboratory of Geriatrics, Beijing Hospital and Beijing Institute of Geriatrics, Beijing (China); Wang, Zai [Institute of Clinical Medical Sciences, China-Japan Friendship Hospital, Beijing (China); Li, Jian; Cai, Jian-Ping [The Key Laboratory of Geriatrics, Beijing Hospital and Beijing Institute of Geriatrics, Beijing (China); Huang, Jian-Dong, E-mail: jdhuang@hku.hk [School of Biomedical Sciences and Shenzhen Institute of Research and Innovation, The University of Hong Kong, Pokfulam (Hong Kong); The Centre for Synthetic Biology Engineering Research, Shenzhen Institutes of Advanced Technology, Shenzhen (China); Zhang, Tie-Mei, E-mail: tmzhang126@126.com [The Key Laboratory of Geriatrics, Beijing Hospital and Beijing Institute of Geriatrics, Beijing (China)

2016-08-05

Insulin stimulates adiponectin secretion and glucose transporter type 4 (GLUT4) translocation in adipocyte to regulate metabolism homeostasis. Similar to GLUT4 translocation, intracellular trafficking and release of adiponectin in adipocytes relies on the trans-Golgi network and endosomal system. Recent studies show that the heavy chain of conventional kinesin (KIF5B) mediates GLUT4 translocation in murine 3T3-L1 adipocytes, however, the motor machinery involved in mediating intracellular trafficking and release of adiponectin is unknown. Here, we examined the role of KIF5B in the regulation of adiponectin secretion. The KIF5B level was up-regulated during 3T3-L1 adipogenesis. This increase in cytosolic KIF5B was synchronized with the induction of adiponectin. Endogenous KIF5B and adiponectin were partially colocalized at the peri-nuclear and cytosolic regions. In addition, adiponectin-containing vesicles were co-immunoprecipitated with KIF5B. Knockdown of KIF5B resulted in a marked inhibition of adiponectin secretion and overexpression of KIF5B enhanced adiponectin release, whereas leptin secretion was not affected by changes in KIF5B expression. These data suggest that the secretion of adiponectin, but not leptin, is dependent on functional KIF5B. - Highlights: • The KIF5B level was up regulated during 3T3-L1 adipogenesis. • Endogenous KIF5B and adiponectin were partially colicalized. • Adiponectin-containing vesicles were co-immunoprecipitated with KIF5B. • The secretion of adiponectin, but not leptin, is dependent on functional KIF5B.

Conventional kinesin KIF5B mediates adiponectin secretion in 3T3-L1 adipocytes

International Nuclear Information System (INIS)

Cui, Ju; Pang, Jing; Lin, Ya-Jun; Jiang, Ping; Gong, Huan; Wang, Zai; Li, Jian; Cai, Jian-Ping; Huang, Jian-Dong; Zhang, Tie-Mei

2016-01-01

Insulin stimulates adiponectin secretion and glucose transporter type 4 (GLUT4) translocation in adipocyte to regulate metabolism homeostasis. Similar to GLUT4 translocation, intracellular trafficking and release of adiponectin in adipocytes relies on the trans-Golgi network and endosomal system. Recent studies show that the heavy chain of conventional kinesin (KIF5B) mediates GLUT4 translocation in murine 3T3-L1 adipocytes, however, the motor machinery involved in mediating intracellular trafficking and release of adiponectin is unknown. Here, we examined the role of KIF5B in the regulation of adiponectin secretion. The KIF5B level was up-regulated during 3T3-L1 adipogenesis. This increase in cytosolic KIF5B was synchronized with the induction of adiponectin. Endogenous KIF5B and adiponectin were partially colocalized at the peri-nuclear and cytosolic regions. In addition, adiponectin-containing vesicles were co-immunoprecipitated with KIF5B. Knockdown of KIF5B resulted in a marked inhibition of adiponectin secretion and overexpression of KIF5B enhanced adiponectin release, whereas leptin secretion was not affected by changes in KIF5B expression. These data suggest that the secretion of adiponectin, but not leptin, is dependent on functional KIF5B. - Highlights: • The KIF5B level was up regulated during 3T3-L1 adipogenesis. • Endogenous KIF5B and adiponectin were partially colicalized. • Adiponectin-containing vesicles were co-immunoprecipitated with KIF5B. • The secretion of adiponectin, but not leptin, is dependent on functional KIF5B.

RELAP5/MOD3 AP600 problems

International Nuclear Information System (INIS)

Riemke, R.A.

1993-01-01

RELAP5/MOD3 is a reactor systems analysis code that has been developed jointly by the US Nuclear Regulatory Commission (USNRC) and a consortium consisting of several of the countries and domestic organizations that were members of the International Code Assessment and Applications Program (ICAP). The code is currently being used to simulate transients for the next generation of advanced light water reactors (ALWR's). One particular reactor design is the Westinghouse AP600 pressurized water reactor (PWR), which consists of two hot legs and four cold legs as well as passive emergency core cooling (ECC) systems. Initial calculations with RELAP5/MOD3 indicated that the code was not as robust as RELAP5/MOD2.5 with regard to AP600 calculations. Recent modifications in the areas of condensation wall heat transfer, interfacial heat transfer in the presence of noncondensibles, bubbly flow interfacial heat transfer, and time smoothing of both interfacial drag and interfacial heat transfer have improved the robustness, although more reliability is needed

Microwave dielectric properties of La{sub (1-2x/3)}Ba{sub x}(Mg{sub 0.5}Sn{sub 0.5})O{sub 3} ceramics

Energy Technology Data Exchange (ETDEWEB)

Chen, Yih-Chien; Chen, Kuei-Chien; Hsu, Wei-Yu [Department of Electrical Engineering, Lunghwa University of Science and Technology, Gueishan Shiang, Taoyuan County (China)

2010-11-15

This study examined the potential applications of microwave dielectric properties of La{sub (1-2x/3)}Ba{sub x}(Mg{sub 0.5}Sn{sub 0.5})O{sub 3} ceramics in rectenna. The La{sub (1-2x/3)}Ba{sub x}(Mg{sub 0.5}Sn{sub 0.5})O{sub 3} ceramics were prepared by the conventional solid-state method with various sintering temperatures. An apparent density of 6.62 g/cm{sup 3}, a dielectric constant of 20.3, a quality factor of 51,700 GHz, and a temperature coefficient of resonant frequency of -78.2 ppm/K were obtained for La{sub 2.98/3}Ba{sub 0.01}(Mg{sub 0.5}Sn{sub 0.5})O{sub 3} ceramics that were sintered at 1550 C for 4 h. (copyright 2010 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim) (orig.)

Trimethyl 3,3′,3′′-(benzene-1,3,5-triyltripropynoate

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Felix Katzsch

2016-04-01

Full Text Available In the title compound, C18H12O6, the alkyne bonds are distorted, featuring bond angles around the C—C[triple-bond]C—C group of 173.6 (1/179.0 (1, 178.1 (1/178.4 (1 and 174.9 (1/175.9 (1°, and the ester groups make angles of 3.5 (1, 13.8 (1 and 14.5 (1° with the central benzene ring. In the crystal, molecules are connected in layers parallel to (131 by weak C—H...O hydrogen bonds, giving rise to a system of hydrogen-bonded ring motifs with graph sets R22(14 and R44(22. The layers are linked by C—H...O and C—H...π contacts.

Synthesis of carbon-14 analogue of 1,5 diaryl-5-[14C]-1,2,3-triazoles

International Nuclear Information System (INIS)

Matloubi, Hojatollah; Shafiee, Abbas; Saemian, Nader; Shirvani, Gholamhossein; Daha, Fariba Johari

2004-01-01

Two 1,2,3-triazole anticonvulsants, 1-(4-methylsulfone-phenyl)-5-(4-methyl-phenyl)-1,2,3-triazole and 1-(4-methylsulfone-phenyl)-5-phenyl-1,2,3-triazole, both labeled with carbon-14 in the 5-position were prepared from para-tolunitrile-[cyano- 14 C] and benzonitrile-[cyano- 14 C], respectively

Satellite line mapping in Eu3+–Ce3+ and Pr3+–Ce3+ codoped Y2SiO5

International Nuclear Information System (INIS)

Serrano, D.; Karlsson, J.; Zheng, L.; Dong, Y.; Ferrier, A.; Goldner, P.; Walther, A.; Rippe, L.; Kröll, S.

2016-01-01

In this work we perform a high-resolution spectroscopic investigation of Eu 3+ –Ce 3+ and Pr 3+ –Ce 3+ codoped Y 2 SiO 5 crystals. Satellite line spectra were recorded at low temperatures around the Eu 3+ : 7 F 0 → 5 D 0 and the Pr 3+ : 3 H 4 → 1 D 2 transitions. It is observed that the incorporation of Ce 3+ as a codopant notably changes the Eu 3+ and Pr 3+ satellite line patterns. Satellite lines measured in singly doped Eu 3+ :Y 2 SiO 5 were found at the same spectral positions in Eu 3+ –Ce 3+ codoped crystals. These coincident lines were concluded to be due to pairs of Eu 3+ ions. Extra satellite lines appeared in the codoped crystals, which were assigned to Ce 3+ related structures such as Ce 3+ –Eu 3+ pairs. The analysis of the Pr 3+ satellite line spectra presents further challenges. Satellite lines associated to Pr 3+ pairs show weaker intensity, presumably due to the efficient quenching of the Pr 3+1 D 2 emission through cross-relaxation paths ( 1 D 2 → 1 G 4 ; 3 H 4 → 3 F 4 ). The investigation of the Eu 3+ and Pr 3+ satellite line patterns in Y 2 SiO 5 is particularly interesting for their exploitation in rare-earth based quantum computation schemes. - Highlights: • We recorded Eu and Pr satellite lines in Y 2 SiO 5 with and without Ce as a codopant. • The presence of Ce leads to the appearance of extra satellite lines in the spectra. • The satellite lines are associated to minor crystal sites such as ion pairs. • Less than 100 ion pairs were detected per satellite line. • The exploitation of the satellite line structure is proposed for quantum computing.

5 CFR 1312.3 - Classification requirements.

Science.gov (United States)

2010-01-01

..., DOWNGRADING, DECLASSIFICATION AND SAFEGUARDING OF NATIONAL SECURITY INFORMATION Classification and Declassification of National Security Information § 1312.3 Classification requirements. United States citizens must...; (5) Scientific, technological, or economic matters relating to the national security; (6) United...

A comparative structural and electrochemical study of monoclinic Li3V2(PO4)3/C and rhombohedral Li2.5Na0.5V(2−2x/3)Nix(PO4)3/C

International Nuclear Information System (INIS)

Wang, Wenhui; Chen, Zhenyu; Zhang, Jiaolong; Dai, Changsong; Li, Jiajie; Ji, Dalong

2013-01-01

In order to synthesize pure derivative of rhombohedral Li 3 V 2 (PO 4 ) 3 (LVP), lithium-ion batteries materials Li 2.5 Na 0.5 V (2−2x/3) Ni x (PO 4 ) 3 /C (x = 0.03, 0.06, 0.09) and its control, monoclinic Li 3 V 2 (PO 4 ) 3 /C (LVP/C), were prepared by sol–gel method. The samples were investigated by X-ray photoelectron spectroscopy (XPS), X-ray diffraction (XRD) spectroscopy, scanning electron microscopy (SEM), Raman spectroscopy, and electrochemical methods. The XRD patterns of Li 2.5 Na 0.5 V (2−2x/3) Ni x (PO 4 ) 3 /C are in good agreement with that of rhombohedral LVP, which indicates that the Na + –Ni 2+ composite doping can change the structure of monoclinic LVP. All the composite doping samples displayed a single flat plateau at 3.7 V in the charge/discharge voltage profile, which is caused by transformation of multi-phase mechanism to single-phase mechanism. For Li 2.5 Na 0.5 V 1.98 Ni 0.03 (PO 4 ) 3 /C, a specific discharge capacity of 108 mAh g −1 was achieved at a 0.5 C charge rate and a 1 C discharge rate, and a 99.0% retention rate of the initial capacity was obtained after 50 cycles

Microstructure and electrical properties of (1−x)[0.8Bi_0_._5Na_0_._5TiO_3-0.2Bi_0_._5K_0_._5TiO_3]-xBiCoO_3 lead-free ceramics

International Nuclear Information System (INIS)

Wang, Ting; Chen, Xiao-ming; Qiu, Yan-zi; Lian, Han-li; Chen, Wei-ting

2017-01-01

The (1−x)[0.8Bi_0_._5Na_0_._5TiO_3-0.2Bi_0_._5K_0_._5TiO_3]-xBiCoO_3 (x = 0, 0.02, 0.05, abbreviated as BNKT, BNKT-002Co, BNKT-005Co, respectively) lead-free ferroelectric ceramics were prepared via the solid state reaction method. The phase structure, microstructure, dielectric, ferroelectric, pyroelectric, and piezoelectric properties of the ceramics were investigated comparatively by using a combination of characterization techniques. All the samples exhibit typical X-ray diffraction peaks of ABO_3 perovskite structure. The doping of BiCoO_3 causes a decrease in lattice parameters and an increase in grain size of the ceramics. The Raman spectroscopy results suggest a lattice distortion due to the doping. It is found that BNKT-002Co and BNKT-005Co have higher depolarization temperatures compared with BNKT. The Curie-Weiss law and modified Curie-Weiss law explored a diffuse phase transition character for all the samples. The results of ultraviolet–visible diffuse reflectance suggests that BiCoO_3-doped ceramics possess higher defect concentration. The impedance analysis shows a temperature dependent relaxation behavior, and the activation energy for the electrical responses varies with the change of BiCoO_3 amount. The ferroelectric and piezoelectric properties of the ceramics decrease due to the doping of BiCoO_3. Based on the results of the Rayleigh analysis, it was suggested that the differences in the electrical properties among the ceramics are closely related to the change in oxygen vacancy concentration. - Highlights: • BNKT-xCo ceramics were prepared by solid-state reaction method. • Electrical properties of BNKT ceramics are changed by the doping of BiCoO_3. • The doping causes a decrease in lattice parameters and an increase in grain size. • T_d of the ceramics increases with increasing x. • Oxygen vacancies play key role in determining electrical properties of the ceramics.

Radioimmunoassay method for determination of 3, 3', 5'-triiodothyronine (reverse - T3)

International Nuclear Information System (INIS)

Kosowicz, J.

1979-01-01

To introduce radioimmunoassay, 3, 3', 5'-triiodothyronine (reverse-T 3 ) was coupled to bovine serum albumin by the carbodiimide technique and rabbits were immunized with the conjugates obtained. The immunizations were performed by multiple site intradermal injections at places in which cornynebacterium parvum was previously injected to enhance immunologic reaction. After 3 months the rabbits raised antisera to reverse-T 3 of a high titer and specificity. To obtain labelled 125 I-reverse T 3 , 3,3'-diiodothyronine was used. Iodination was performed by the chloramine T technique and the iodination mixture was subjected to gel filtration on Sephadex G-25 (fine) column. The purified monolabelled 125 I-reverse T 3 had a specific activity of 3,000 milli Curie/mg. The reverse T 3 radioimmunoassay of a high sensitivity (ca 2 pg/tube) was introduced in the clinical studies and facilitated direct determination of reverse T 3 in sera without the need of plasma extractions. The interference of serum proteins (TBG) was avoided by adding 8-anilino-1-naphtalene sulfonic acid to serum samples. Separation of free from antibody bound antigens was achieved by polyethylene glycol precipitation or immunoprecipitation. (author)

Elastic, piezoelectric and dielectric properties of La3Ga5.5Nb0.5O14 crystals

International Nuclear Information System (INIS)

Sil'vestrova, I.M.; Pisarevskij, Yu.V.; Kaminskij, A.A.; Mill', B.V.

1987-01-01

The results of investigation into piezoelectric, electric, acoustic and dielectric properties of monocrystals of niobium lanthanum gallate La 3 Ga 5.5 Nb 0.5 O 14 at room temperature are presented. It is concluded that niobium lanthanum gallate belongs to moderate strong piezoelectrics with a comparatively low level of acoustic losses up to hypersound frequencies

Synthesis and Antibacterial Activities of Novel 2,5-Diphenylindolo[2,3-e] Pyrazolo[1',5':3",4"]pyrimido[2",1"-c] [1,2,4]triazines

Directory of Open Access Journals (Sweden)

Mohamed G. Marei

2011-12-01

Full Text Available The formation of (E-3-{2-(2,5-diphenylpyrazolo[1,5-c]pyrimidin-7-ylhydrazono}indolin-2-ones 3 has been achieved by condensation of equimolar amounts of 7-hydrazino-2,5-diphenylpyrazolo[1,5-c]pyrimidine (1 and isatin (or isatin derivatives 2 at room temperature. The (E-products could be isomerized into corresponding the (Z-3 isomers. Reactions of the latter fused heterocyclic hydrazones towards different electro-philic reagents yielded the corresponding 3-substituted derivatives 4–7. Dehydrative cyclisation of the hydrazones 3 using phosphorus oxychloride afforded the 2,5-diphenyl- indolo[2,3-e]pyrazolo[1',5':3",4"]pyrimido[2",1"-c][1,2,4] triazines 13. The polyfused heterocyclic ring system 13 underwent electrophilic substitution reactions at position 4 rather than at position 3. The 3-bromo isomer of 17 was prepared by a sequence of reactions starting from 2,5-diphenylpyrazolo[1,5-c]pyrimidine-7(6H-thione (11. The orientation of the electrophilic attack was supported by spectroscopic and chemical evidence. Some of the synthesized compounds were found to possess slight to moderate activity against the microorganisms Bacillus subtilis, Micrococcus luteus, Staphylococcus aureus, Escherichia coli and Pseudomonas aeruginosa.

Observation of microstructure of hydrated Ca3SiO5

International Nuclear Information System (INIS)

Mori, Kazuhiro; Sato, Takashi; Fukunaga, Toshiharu; Oishi, Koji; Kimura, Katsuhiko; Iwase, Kenji; Sugiyama, Masaaki; Itoh, Keiji; Shikanai, Fumihito; Wuernisha, Tuerxun; Yonemura, Masao; Sulistyanintyas, Dyah; Tsukushi, Itaru; Takata, Shinich; Otomo, Toshiya; Kamiyma, Takashi; Kawai, Masayoshi

2006-01-01

Quasi-elastic neutron scattering experiments were carried out to evaluate the hydration rate of tricalcium silicate (Ca 3 SiO 5 ). Furthermore, in the early hydration period, a variation in surface roughness of Ca 3 SiO 5 was observed in nano-scale by the small-angle neutron scattering. From these results, it was found that the hydration rate of Ca 3 SiO 5 is suppressed when the surface of Ca 3 SiO 5 becomes rough through the creation of hydration products C-S-H gel and Ca(OH) 2 , and this roughness is associated with changes in the Ca 3 SiO 5 hydration rate

Synthesis, Antifungal and Antitumor Activity of Novel (Z-5-Hetarylmethylidene-1,3-thiazol-4-ones and (Z-5-Ethylidene-1,3-thiazol-4-ones

Directory of Open Access Journals (Sweden)

Susana A. Zacchino

2013-05-01

Full Text Available New hetaryl- and alkylidenerhodanine derivatives 3a–d, 3e, and 4a–d were prepared from heterocyclic aldehydes 1a–d or acetaldehyde 1e. The treatment of several rhodanine derivatives 3a–d and 3e with piperidine or morpholine in THF under reflux, afforded (Z-5-(hetarylmethylidene-2-(piperidin-1-ylthiazol-4(5H-ones and 2-morpholinothiazol-4(5H-ones 5a–d, 6a–d, and (Z-5-ethylidene-2-morpholinothiazol-4(5H-one (5e, respectively, in good yields. Structures of all compounds were determined by IR, 1D and 2D NMR and mass spectrometry. Several of these compounds were screened by the U.S. National Cancer Institute (NCI to assess their antitumor activity against 60 different human tumor cell lines. Compound 3c showed high activity against HOP-92 (Non-Small Cell Lung Cancer, which was the most sensitive cell line, with GI50 = 0.62 μM and LC50 > 100 μM from the in vitro assays. In vitro antifungal activity of these compounds was also determined against 10 fungal strains. Compound 3e showed activity against all fungal strains tested, but showed high activity against Saccharomyces cerevisiae (MIC 3.9 μg/mL.

Investigation on magnetoelectric behavior of (80Bi0.5Na0.5TiO3-20Bi0.5K0.5TiO3)-CoFe2O4 particulate composites

Science.gov (United States)

Liu, Sheng; Yan, Shuoqing; Yao, Lingling; He, Jun; He, Longhui; Hu, Zhaowen; Huang, Shengxiang; Deng, Lianwen

2017-12-01

Particulate magnetoelectric (ME) ceramics constituted by (1-x)(80Bi0.5Na0.5TiO3-20Bi0.5K0.5TiO3)-xCoFe2O4 [(1-x)BNKT-xCFO] (x = 0, 0.1, 0.2, 0.3, 0.4 and 1.0) were synthesized by an powder-in-sol precursor hybrid processing method and their structure, magnetic, ferroelectric, magnetodielectric (MD) and ME properties have been investigated. Results showed that the ceramics consisted of only two chemically separated phases and had homogeneous microstructure. The introduction of CFO into BNKT matrix led to the weakening of ferroelectric and dielectric properties whereas the strengthening magnetic and MD properties. The observation of the MD effect revealed the evidence of the strain-induced ME coupling and the MD value is well scaled with M2. A maximum value of ME output of 25.07 mV/cm·Oe was achieved for the 0.7BNKT-0.3CFO composite. The improved ME response together with the linear MD effect makes the ceramics promise for use in magnetic field controllable devices or magneto-electric transducers.

Structural studies on 3-acetyl-1,5-diaryl and 3-cyano-1,5-diaryl formazan chelates with cerium(III), thorium(IV) and uranium(VI)

International Nuclear Information System (INIS)

Sherif, O.E.; Issa, Y.M.; Hassouna, M.E.M.; Abass, S.M.

1993-01-01

Solid complexes of 3-acetyl-1,5-diaryl and 3-cyano-1,5-diaryl formazans were prepared and characterized by elemental analysis, IR, NMR, TGA and DTA analyses. Based on these studies, the suggested general formula for the complexes is M(HL) m (OH - ) n or (NO 3 - or Cl - ) x *(H 2 O) y or (C 2 H 5 OH or DMSO) z , where HL=formazan M=Ce 3+ , Th 4+ , and UO 2 2+ , m=1-2, n=0-3, x=0-3, y=0-4 and z=0-3. The metal ions are expected to have coordination numbers 6-8

Vinclozolin: 3-(3,5-dichlorophenyl-5-ethenyl-5-methyl-1,3-oxazolidine-2,4-dione

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Seonghwa Cho

2014-07-01

Full Text Available In the title compound, C12H9Cl2NO3, which is the fungicide vinclozolin, the dihedral angle between the oxazolidine ring mean plane [r.m.s. deviation = 0.029 Å] and the benzene ring is 77.55 (8°. In the crystal, molecules are linked via C—H...O hydrogen bonds, forming chains along [010]. The chains are linked by short Cl...Cl contacts [3.4439 (3 and 3.5798 (3 Å], resulting in a three-dimensional architecture.

Synthesis and Antidepressant Activity of Some New 5-(1H-Indol-3-yl-3-(substituted aryl-4,5-dihydroisoxazoline Derivatives

Directory of Open Access Journals (Sweden)

Pravin O. Patil

2013-01-01

Full Text Available The present study refers to the synthesis of new antidepressant candidates using the indole scaffold. In an attempt to identify potential lead antidepressant agents, a number of indole molecules, incorporating isoxazoline, were synthesized by microwave-assisted synthesis. The antidepressant activity of the synthesized compounds (3a–3n was evaluated by forced swim test in mice and their locomotor activity was assessed using actophotometry. The present paper showed significant antidepressant activity for all compounds of the series and no significant change in locomotor activity of mice. Compounds 3d and 3j were found to be potent molecules of this series, when compared with the reference drugs imipramine and fluoxetine. It clearly demonstrated that replacement of aromatic core by appropriate heterocycles such as pyridine and pyrrole on the 5-(1H-Indol-3-yl-3-(Phenyl-4,5-dihydroisoxazoline (3a would generate more potent derivatives. Thus, these compounds can serve as potential leads for further antidepressant studies.

) m /SrVO3 ( m = 5, 6) Superlattices

KAUST Repository

Dai, Qingqing; Lü ders, Ulrike; Fré sard, Raymond; Eckern, Ulrich; Schwingenschlö gl, Udo

2018-01-01

The (LaV3+O3)m/SrV4+O3 (m = 5, 6) superlattices are investigated by first principles calculations. While bulk LaVO3 is a C‐type antiferromagnetic semiconductor and bulk SrVO3 is a paramagnetic metal, semiconducting A‐type antiferromagnetic states

Laser ignition of DAAF, DHT and DAATO{sub 3.5}

Energy Technology Data Exchange (ETDEWEB)

Ali, Arif N.; Sandstrom, Mary M.; Oschwald, David M.; Moore, Kevin M.; Son, Steven F. [Los Alamos National Laboratory, Los Alamos, NM 87544 (United States)

2005-10-01

CO{sub 2} laser ignition experimental results are reported for the high-nitrogen materials 3,6-dihydrazino-1,2,4,5-tetrazine (DHT), 3,3'-diamino-4,4'-azoxyfurazan (DAAF), and mixed N-oxides of 3,3'-azo-bis(6-amino-1,2,4,5-tetrazine) (DAATO{sub 3.5}, where the ''3.5'' indicates the average oxide content) at a maximum irradiance level of approximately 140 W/cm{sup 2}. Diagnostics include a photodiode, indium antimonide (InSb) IR detector, high speed (HS) video and a CO{sub 2} photodetector. ''First light'' is measured for DAATO{sub 3.5} and DAAF, however, due to the low visible light emission of the gas phase, thermal runaway, as measured by the InSb, is used as the ignition criterion for DHT. Ignition in the gas phase is captured by the high speed camera. It is observed that an increase in laser irradiance results in an increase in ignition and flame stand-off distance for DAATO{sub 3.5}. The high-nitrogen material laser ignition results are compared to the common nitramine explosive, octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazocine (HMX). Laser ignition delays for the different high-nitrogen materials are also compared in the context of Differential Scanning Calorimetry (DSC) data. It is determined that DSC onset temperature, while a rough indicator of ignition delay trends, is not the equivalent of a direct measure of ignition temperature. (Abstract Copyright [2005], Wiley Periodicals, Inc.)

Hyperfine structure in 5s4d [sup 3]D-5snf transitions of [sup 87]Sr

Energy Technology Data Exchange (ETDEWEB)

Bushaw, B.A. (Pacific Northwest Lab., Richland, WA (United States)); Kluge, H.J. (Mainz Univ. (Germany). Inst. fuer Physik); Lantzsch, J. (Mainz Univ. (Germany). Inst. fuer Physik); Schwalbach, R. (Mainz Univ. (Germany). Inst. fuer Physik); Stenner, J. (Mainz Univ. (Germany). Inst. fuer Physik); Stevens, H. (Mainz Univ. (Germany). Inst. fuer Physik); Wendt, K. (Mainz Univ. (Germany). Inst. fuer Physik); Zimmer, K. (Mainz Univ. (Germany). Inst. fuer Physik)

1993-12-01

The hyperfine spectra of the 5s4d[sup 3]D[sub 1]-5s20f, 5s4d[sup 3]D[sub 2]-5s23f, and 5s4d[sup 3]D[sub 3]-5s32f transitions of [sup 87]Sr (I=9/2) have been measured by collinear fast beam laser spectroscopy. The structure in the upper configurations is highly perturbed by fine structure splitting that is of comparable size to the hyperfine interaction energy. These perturbations can be adequately treated with conventional matrix diagonalization methods, using the 5s-electron magnetic dipole interaction term a[sub 5s] and the unperturbed fine structure splittings as input parameters. Additionally, hyperfine constants for the lower 5s4d[sup 3]D configurations, including the A- and B-factors and a separation of the individual s- and d-electron contributions to these factors, are derived. (orig.)

Stable Ferroelectric Behavior of Nb-Modified Bi0.5K0.5TiO3-Bi(Mg0.5Ti0.5)O3 Lead-Free Relaxor Ferroelectric Ceramics

Science.gov (United States)

Zaman, Arif; Malik, Rizwan Ahmed; Maqbool, Adnan; Hussain, Ali; Ahmed, Tanveer; Song, Tae Kwon; Kim, Won-Jeong; Kim, Myong-Ho

2018-03-01

Crystal structure, dielectric, ferroelectric, piezoelectric, and electric field-induced strain properties of lead-free Nb-modified 0.96Bi0.5K0.5TiO3-0.04Bi(Mg0.5Ti0.5)O3 (BKT-BMT) piezoelectric ceramics were investigated. Crystal structure analysis showed a gradual phase transition from tetragonal to pseudocubic phase with increasing Nb content. The optimal piezoelectric property of small-signal d 33 was enhanced up to ˜ 68 pC/N with a lower coercive field ( E c) of ˜ 22 kV/cm and an improved remnant polarization ( P r) of ˜ 13 μC/cm2 for x = 0.020. A relaxor-like behavior with a frequency-dependent Curie temperature T m was observed, and a high T m around 320°C was obtained in the investigated system. This study suggests that the ferroelectric properties of BKT-BMT was significantly improved by means of Nb substitution. The possible shift of depolarization temperature T d toward high temperature T m may have triggered the spontaneous relaxor to ferroelectric phase transition with long-range ferroelectric order without any traces of a nonergodic relaxor state in contradiction with Bi0.5Na0.5TiO3-based systems. The possible enhancement in ferroelectric and piezoelectric properties near the critical composition x = 0.020 may be attributed to the increased anharmonicity of lattice vibrations which may facilitate the observed phase transition from a low-symmetry tetragonal to a high-symmetry cubic phase with a decrease in the lattice anisotropy of an undoped sample. This highly flexible (at a unit cell level) narrow compositional range triggers the enhancement of d 33 and P r values.

Conformations of 1,3,3,5,7,7-Hexamethyl-1,5-diazacyclooctane and Its Bis-BH(3) Adduct. Mono- and Bis-BH(3) Adducts of Di-Tertiary Amines.

Science.gov (United States)

Livant, P.; Majors, A. W.; Webb, T. R.

1996-05-03

A variable-temperature (1)H- and (13)C-NMR study revealed a conformational equilibrium for 1,3,3,5,7,7-hexamethyl-1,5-diazacyclooctane (4) having DeltaG() = 8.8 +/- 0.6 kcal/mol at 184 K. This activation barrier connects a major and a minor form of 4. Molecular mechanics calculations on 4 led to the conclusion that the major form is a set of twist-chair-chairs interconverting rapidly via the chair-chair and that the minor form is most likely a set of twist-boat-boats interconverting rapidly via the boat-boat. The proximity of the two nitrogen lone pairs in the major form of 4 made plausible the expectation that 4, as well as a related diamine with apposed nitrogens, 3,7-dimethyl-3,7-diazabicyclo[3.3.1]nonane (3), might bind a Lewis acid, namely BH(3), using both lone pairs simultaneously and equally. This proved not to be the case: for 3 only the bis-BH(3) adduct was found and for 4 the mono-BH(3) adduct utilized only one nitrogen lone pair. The structure of the bis-BH(3) adduct of 4 (12) was determined by X-ray crystallography to be a twist-boat-boat with BH(3)s cis. Molecular mechanics calculations on 12 were consistent with the solid state conformation found.

Pb chains on ordered Si(3 3 5) surface

International Nuclear Information System (INIS)

Kisiel, M.; Skrobas, K.; Zdyb, R.; Mazurek, P.; Jalochowski, M.

2007-01-01

The electronic band structure of the Si(3 3 5)-Au surface decorated with Pb atoms was studied with angle resolved photoelectron spectroscopy (ARPES) in ultra high vacuum (UHV) conditions. The photoemission spectra were measured in two perpendicular directions, along and across the steps. In the direction parallel to the step edges the ARPES spectra show strongly dispersive electron energy band while in the perpendicular direction there is no electronic dispersion at all. This confirms one-dimensional character of the system. The theoretical band dispersion calculated within a tight-binding model was fitted to that obtained from the experiment

Plans and status of RELAP5/MOD3

International Nuclear Information System (INIS)

Weaver, W.L.

1989-01-01

RELAP5/MOD3 is a pressurized water reactor (PWR) system analysis code being developed jointly by the US Nuclear Regulatory Commission (USNRC) and consisting of several of the countries that are members of the International Code Assessment and Applications Program (ICAP). This code development program is called the ICAP Code Improvement Program. The mission of the RELAP5/MOD3 code improvement program is to develop a code version suitable for the analysis of all transients and postulated accidents in PER systems including both large and small break loss of coolant accidents (LOCA's) as well as the full range of operational transients. The emphasis of the RELAP5/MOD3 development will be on large break LOCA since previous versions of RELAP5 were developed for and assessed against small break LOCA and operation transient test data. The paper discusses the various code models to be improved and presents the results of work completed to date

Novel One-Pot Access to 3,3-bis(3-hydroxy-5-substituted-1H-pyrazol-4-yl) indolin-2-ones

International Nuclear Information System (INIS)

Lin, Y.; Fu, Z.; Song, Q.; Shen, T.

2016-01-01

Sodium bicarbonate was applied as catalyst for the synthesis of 3,3-bis(3-hydroxy-5-substituted-1H-pyrazol-4-yl)indolin-2-ones via the reaction of isatins, hydrazine hydrate and ethyl acetoacetate or ethyl benzoylacetate. This reaction was performed in ethanol at 78 degree C, giving 3,3-bis(3-hydroxy-5-substituted-1H-pyrazol-4-yl)indolin-2-one derivatives in good to excellent yields. The structure of 5-bromo-3,3-bis(3-hydroxy-5-methyl-1H-pyrazol-4-yl) indolin-2-one was unambiguously confirmed by X-ray single crystal structure analysis and a plausible reaction mechanism is also proposed. (author)

Reactions UF{sub 4} - ClF, UF{sub 4} - ClF{sub 3}, UF{sub 5} - ClF, UF{sub 5} - ClF{sub 3}; Reactions UF{sub 4} - ClF, UF{sub 4} - ClF{sub 3}, UF{sub 5} - ClF, UF{sub 5} - ClF{sub 3}

Energy Technology Data Exchange (ETDEWEB)

Luce, M; Benoit, R; Hartmanshenn, O [Commissariat a l' Energie Atomique, Saclay (France). Centre d' Etudes Nucleaires

1968-07-01

The reaction between ClF{sub 3} and UF{sub 4} is partially explained by the study of the reactions of the three systems: UF{sub 4}-ClF, UF{sub 5}-ClF and UF{sub 5}-ClF{sub 3}. The analytical techniques used are: the micro-sublimation, the infra-red spectroscopy and the thermogravimetry. The origin of the by-products is indicated. (authors) [French] La reaction entre ClF{sub 3} et UF{sub 4} est partiellement expliquee grace a l'etude des reactions des trois systemes UF{sub 4}-ClF, UF{sub 5}-ClF et UF{sub 5}-ClF{sub 3}. Les techniques analytiques utilisees sont: la micro-sublimation, la spectroscopie infrarouge et la thermogravimetrie. L'origine des sous-produits est indiquee. (auteurs)

Dielectric properties of (K0.5Na0.5)NbO3-(Bi0.5Li0.5)ZrO3 lead-free ceramics as high-temperature ceramic capacitors

Science.gov (United States)

Yan, Tianxiang; Han, Feifei; Ren, Shaokai; Ma, Xing; Fang, Liang; Liu, Laijun; Kuang, Xiaojun; Elouadi, Brahim

2018-04-01

(1 - x)K0.5Na0.5NbO3- x(Bi0.5Li0.5)ZrO3 (labeled as (1 - x)KNN- xBLZ) lead-free ceramics were fabricated by a solid-state reaction method. A research was conducted on the effects of BLZ content on structure, dielectric properties and relaxation behavior of KNN ceramics. By combining the X-ray diffraction patterns with the temperature dependence of dielectric properties, an orthorhombic-tetragonal phase coexistence was identified for x = 0.03, a tetragonal phase was determined for x = 0.05, and a single rhombohedral structure occurred at x = 0.08. The 0.92KNN-0.08BLZ ceramic exhibits a high and stable permittivity ( 1317, ± 15% variation) from 55 to 445 °C and low dielectric loss (≤ 6%) from 120 to 400 °C, which is hugely attractive for high-temperature capacitors. Activation energies of both high-temperature dielectric relaxation and dc conductivity first increase and then decline with the increase of BLZ, which might be attributed to the lattice distortion and concentration of oxygen vacancies.

Dielectric and AC-conductivity studies of Dy2O3 doped (K0.5Na0.5NbO3 ceramics

Directory of Open Access Journals (Sweden)

Mahesh Peddigari

2014-08-01

Full Text Available (K0.5Na0.5NbO3 + x wt.% Dy2O3 (x = 0–1.5 ferroelectric ceramics were prepared by conventional solid state reaction method. XRD patterns revealed that orthorhombic symmetry has transformed into psuedocubic symmetry with increasing the substitution of Dy3+ in the Na+ site. Temperature and frequency dependences of relative dielectric permittivity maximum conforms the transformation from normal ferroelectric to relaxor ferroelectric behaviour. Frequency dependence of the relative dielectric permittivity maximum temperature observed for the samples with x ≥ 1.0 and satisfied the Vogel–Fulcher law. The diffuseness exponent γ (1.27–1.95 estimated from the high temperature slopes of the diffused dielectric permittivity data reveals that the degree of relaxor behavior increases with increasing the amount of Dy2O3. The temperature dependence of AC-conductivity σAC (T analysis in the range 310 K < T < 470 K reveals the existence of variable range hopping of charge carriers with average hopping length RH and hopping energy EH are in the range 8.5–27 Å and 48–153 meV, respectively. Voltage dependent dielectric constant measurements confirm the ferroelectric nature of KNN+ x wt% Dy2O3 ceramics.

Rare earth ruthenium gallides with the ideal composition Ln_2Ru_3Ga_5 (Ln = La-Nd, Sm) crystallizing with U_2Mn_3Si_5 (Sc_2Fe_3Si_5) type structure

International Nuclear Information System (INIS)

Jeitschko, Wolfgang; Schlueter, Martin

2010-01-01

The rare earth ruthenium gallides Ln_2Ru_3Ga_5 (Ln = La, Ce, Pr, Nd, Sm) were prepared by arc-melting of cold-pressed pellets of the elemental components. They crystallize with a tetragonal structure (P4/mnc, Z = 4) first reported for U_2Mn_3Si_5. The crystal structures of the cerium and samarium compounds were refined from single-crystal X-ray data, resulting in significant deviations from the ideal compositions: Ce_2Ru_2_._3_1_(_1_)Ga_5_._6_9_(_1_), a = 1135.10(8) pm, c = 580.58(6) pm, R_F = 0.022 for 742 structure factors; Sm_2Ru_2_._7_3_(_2_)Ga_5_._2_7_(_2_), a = 1132.95(9) pm, c = 562.71(6) pm, R_F = 0.026 for 566 structure factors and 32 variable parameters each. The deviations from the ideal compositions 2:3:5 are discussed. A mixed Ru/Ga occupancy occurs only for one atomic site. The displacement parameters are relatively large for atoms with mixed occupancy within their coordination shell and small for atoms with no neighboring sites of mixed occupancy. Chemical bonding is analyzed on the basis of interatomic distances. Ln-Ga bonding is stronger than Ln-Ru bonding. Ru-Ga bonding is strong and Ru-Ru bonding is weak. The Ga-Ga interactions are of similar strength as in elemental gallium. (Abstract Copyright [2010], Wiley Periodicals, Inc.)

[3H]-DOB(4-bromo-2,5-dimethoxyphenylisopropylamine) and [3H] ketanserin label two affinity states of the cloned human 5-hydroxytryptamine2 receptor

International Nuclear Information System (INIS)

Branchek, T.; Adham, N.; Macchi, M.; Kao, H.T.; Hartig, P.R.

1990-01-01

The binding properties of the 5-hydroxytryptamine2 (5-HT2) receptor have been the subject of much interest and debate in recent years. The hallucinogenic amphetamine derivative 4-bromo-2,5-dimethoxyphenylisopropylamine (DOB) has been shown to bind to a small number of binding sites with properties very similar to [3H]ketanserin-labeled 5-HT2 receptors, but with much higher agonist affinities. Some researchers have interpreted this as evidence for the existence of a new subtype of 5-HT2 receptor (termed 5-HT2A), whereas others have interpreted these data as indicative of agonist high affinity and agonist low affinity states for the 5-HT2 receptor. In this investigation, a cDNA clone encoding the serotonin 5-HT2 receptor was transiently transfected into monkey kidney Cos-7 cells and stably transfected into mouse fibroblast L-M(TK-) cells. In both systems, expression of this single serotonin receptor cDNA led to the appearance of both [3H]DOB and [3H]ketanserin binding sites with properties that matched their binding characteristics in mammalian brain homogenates. Addition of guanosine 5'-(beta, gamma-imido) triphosphate [Gpp(NH)p] to this system caused a rightward shift and steepening of agonist competition curves for [3H] ketanserin binding, converting a two-site binding curve to a single low affinity binding state. Gpp(NH)p addition also caused a 50% decrease in the number of high affinity [3H]DOB binding sites, with no change in the dissociation constant of the remaining high affinity states. These data on a single human 5-HT2 receptor cDNA expressed in two different transfection host cells indicate that [3H]DOB and [3H]ketanserin binding reside on the same gene product, apparently interacting with agonist and antagonist conformations of a single human 5-HT2 receptor protein

) m /SrVO3 ( m = 5, 6) Superlattices

KAUST Repository

Dai, Qingqing

2018-05-04

The (LaV3+O3)m/SrV4+O3 (m = 5, 6) superlattices are investigated by first principles calculations. While bulk LaVO3 is a C‐type antiferromagnetic semiconductor and bulk SrVO3 is a paramagnetic metal, semiconducting A‐type antiferromagnetic states for both superlattices are found due to epitaxial strain. At the interfaces, however, the V spins couple antiferromagnetically for m = 5 and ferromagnetically for m = 6 (m‐dependence of the magnetization). Electronic reconstruction in form of charge ordering is predicted to occur with V3+ and V4+ states arranged in a checkerboard pattern on both sides of the SrO layer. As compared to bulk LaVO3, the presence of V4+ ions introduces in‐gap states that strongly reduce the bandgap and influence the orbital occupation and ordering.

Structire ordering effect on dielectric properties of PbInsub(0.5)Nbsub(0.5)Osub(3) crystals

International Nuclear Information System (INIS)

Turik, A.V.; Kupriyanov, M.F.; Zhestkov, B.F.

1985-01-01

Results are presented of dielectric and X-ray diffraction investigations into the PbZnsub(0.5)Nbsub(0.5)Osub(3) monocrystals of PbBsub(0.5)'Bsub(0.5)''Osub(3) series (B'=ScIn, B''=Nb, Ta) annealed during 5 hours at 500 deg C. It is shown that ordering in the B'-cation position in crystals influences the character of alternation of phases and physical properties. The PbInsub(0.5)Nbsub(0.5)Osub(3) crystals may be either in rhombohedral ferro- or zhombic antiferroelectric phases depending on thermal prehistory

Rethinking the biological relationships of the thyroid hormones, l-thyroxine and 3,5,3'-triiodothyronine.

Science.gov (United States)

Maher, Stacey K; Wojnarowicz, Pola; Ichu, Taka-Aki; Veldhoen, Nik; Lu, Linghong; Lesperance, Mary; Propper, Catherine R; Helbing, Caren C

2016-06-01

Thyroid hormones (THs), l-thyroxine (T4) and 3,5,3'-triiodothyronine (T3), are essential for vertebrate growth and development. Classically, T4 is 5'-deiodinated to the active hormone, T3, in target tissues which then binds nuclear TH receptors (TRs) and regulates gene transcription. However, it is possible that T4 acts directly on target tissues. Frog metamorphosis is a powerful TR-dependent model for studying TH action. Premetamorphic Rana (Lithobates) catesbeiana tadpoles were injected with 0.1-50 T3 or 0.5-250T4pmol/gbodyweight to account for their 5-fold difference in biological activity and the mRNA profiles in six tissues from well-characterized TH-responsive genes were evaluated after 48h using quantitative real time polymerase chain reaction. 5'-deiodinase-poor tissues should produce superimposable dose-response curves if T4 does not require conversion to T3. This was the case in lung and tail fin; the latter tissue recapitulating these responses in organ culture. 5'-deiodinase-rich tissues should convert T4 to T3. Because T3 has a higher affinity to TRs, a 5-fold higher T4 dose compared to T3 should produce greater transcript induction. This was observed in the brain and for most intestinal transcripts. However, some gene transcripts in the intestine and all transcripts in the back skin produced superimposable response curves suggesting that a direct mode of T4 action is plausible in these tissues. While the liver showed results consistent with its 5'-deiodinase-poor status, we found evidence of an alternate, non-genomic mechanism for two gene transcripts. Therefore, mechanisms not requiring T4 conversion to T3 may play a far greater role than previously thought. Copyright © 2016 Elsevier Inc. All rights reserved.

Selective labelling of 5-HT7 receptor recognition sites in rat brain using [3H]5-carboxamidotryptamine

International Nuclear Information System (INIS)

Stowe, R.L.; Barnes, N.M.

1998-01-01

The aim of the present study was to establish a radioligand binding assay to selectively label the native 5-HT 7 receptor expressed in rat brain. In rat whole brain (minus cerebellum and striatum) homogenate, (±)-pindolol (10 μM)-insensitive [ 3 H]5-CT ([ 3 H]5-carboxamidotryptamine; 0.5 nM) specific binding (defined by 5-HT, 10 μM) displayed a pharmacological profile similar to the recombinant 5-HT 7 receptor, although the Hill coefficients for competition curves generated by methiothepin, ritanserin, sumatriptan, clozapine and pimozide were significantly less than unity. In homogenates of rat hypothalamus, (±)-pindolol (10 μM)-insensitive [ 3 H]5-CT recognition sites also resembled, pharmacologically, the 5-HT 7 receptor, although pimozide still generated Hill coefficients significantly less than unity. Subsequent studies were performed in the additional presence of WAY100635 (100 nM) to prevent [ 3 H]5-CT binding to residual, possibly, 5-HT 1A sites. Competition for this [ 3 H]5-CT binding indicated the labelling in whole rat brain homogenate of a homogenous population of sites with the pharmacological profile of the 5-HT 7 receptor. Saturation studies also indicated that (±)-pindolol (10 μM)/WAY 100635 (100 nM)-insensitive [ 3 H]5-CT binding to homogenates of whole rat brain was saturable and to an apparently homogenous population of sites which were labelled with nanomolar affinity (B max =33.2±0.7 fmol mg -1 protein, pK d =8.78±0.05, mean±S.E.M., n=3). The development of this 5-HT 7 receptor binding assay will aid investigation of the rat native 5-HT 7 receptor. (Copyright (c) 1998 Elsevier Science B.V., Amsterdam. All rights reserved.)

Simultaneous determination of testosterone, 5α-androstan-17β-ol-3-one, 5α-androstane-3α,17β-diol and 5α-androstane-3β,17β-diol in plasma of adult male rabbits by radioimmunoassay

International Nuclear Information System (INIS)

Schanbacher, B.D.; Ewing, L.L.

1975-01-01

A simultaneous radioimmunoassay procedure for plasma testosterone (T), 5alpha-androstan-17beta-ol-3-one (DHT), 5alpha- androstane-3alpha,17beta-diol (3alphaol), and 5alpha-androstan- 3beta,17beta-diol (3betaol) is described in this report. Peripheral plasma concentrations of T, DHT, 3alphaol, and 3βol were 1.61 +- 0.26, 0.49 +- 0.15, 0.17 +- 0.03, and 0.24 +- 0.04 ng/ml, respectively, in adult male rabbits. In contrast, T, DHT, 3αol, and 3βol peripheral plasma concentrations in dexamethasone-treated castrate rabbits were 0.07 +- 0.001, 0.02 +- 0.01, 0.07 +- 0.01, and 0.05 +- 0.01 ng/ml, respectively. These results represent the first simultaneous measurement of T, DHT, 3αol, and 3βol in peripheral plasma of any male vertebrate. Moreover, we suggest that DHT, 3αol, and 3βol represent the unidentified immunoreactive material found in peripheral plasma of male rabbits by Falvo and Nalbandov. (auth)

Relaxation electron excitations in Al2O3, Y3Al5O12 and YAlO3

International Nuclear Information System (INIS)

Kuznetsov, A.I.; Namozov, B.R.; Myurk, V.V.

1985-01-01

Excitation spectra of short-wave Al 2 O 3 , YAlO 3 and Y 3 Al 5 O 12 crystal luminescence, cathodoluminescence (including time resolution) and lay-temperature thermoluminescence are investigated. Analysis of experimental data permits to distingnish among these objects pairs of bands of supposedly characteristic luminescences: 7.5 and 3.8 eV (Al 2 O 3 ), 5.9 and 4.2 eV (YAlO 3 ), and 4.9 and 4.2 eV (Y 3 Al 5 O 12 ), where recombination luminescence is characteristic for long-wave ones, at that time exciton-like luminescence - for short-wave ones. A hypothesis about strong difference between states of an autolocalized exciton and ''autolocalized hole + electron'' (responsible for short-wave and long-wave bands of characteristic luminescence) is expressed; the difference is based on their genetic origin from different regions of a valent zone (in particular, long-wave bands - from the subzone of heavy holes of a valent zone ceiling, originating from nonbinding 2p-orbitals of oxygen)

Magnetic order of Nd5Pb3 single crystals

Science.gov (United States)

Yan, J.-Q.; Ochi, M.; Cao, H. B.; Saparov, B.; Cheng, J.-G.; Uwatoko, Y.; Arita, R.; Sales, B. C.; Mandrus, D. G.

2018-04-01

We report millimeter-sized Nd5Pb3 single crystals grown out of a Nd-Co flux. We experimentally study the magnetic order of Nd5Pb3 single crystals by measuring the anisotropic magnetic properties, electrical resistivity under high pressure up to 8 GPa, specific heat, and neutron single crystal diffraction. Two successive magnetic orders are observed at T N1  =  44 K and T N2  =  8 K. The magnetic cells can be described with a propagation vector k=(0.5, 0, 0) . Cooling below T N1, Nd1 and Nd3 order forming ferromagnetic stripes along the b-axis, and the ferromagnetic stripes are coupled antiferromagnetically along the a-axis for the k=(0.5, 0, 0) magnetic domain. Cooling below T N2, Nd2 orders antiferromagnetically to nearby Nd3 ions. All ordered moments align along the crystallographic c-axis. The magnetic order at T N1 is accompanied by a quick drop of electrical resistivity upon cooling and a lambda-type anomaly in the temperature dependence of specific heat. At T N2, no anomaly was observed in electrical resistivity but there is a weak feature in specific heat. The resistivity measurements under hydrostatic pressures up to 8 GPa suggest a possible phase transition around 6 GPa. Our first-principles band structure calculations show that Nd5Pb3 has the same electronic structure as does Y5Si3 which has been reported to be a one-dimensional electride with anionic electrons that do not belong to any atom. Our study suggests that R 5Pb3 (R  =  rare earth) can be a materials playground for the study of magnetic electrides. This deserves further study after experimental confirmation of the presence of anionic electrons.

Luminescent properties and energy transfer in the green phosphors LaBSiO5:Tb3+, Ce3+.

Science.gov (United States)

Wang, Zhengliang; Cheng, Ping; He, Pei; Liu, Yong; Zhou, Yayun; Zhou, Qiang

2015-09-01

LaBSiO5 phosphors doped with Ce(3+) and Tb(3+) were synthesized using the conventional solid-state method at 1100 °C. The phase purity and luminescent properties of these phosphors are investigated. LaBSiO5:Tb(3+) phosphors show intense green emission, and LaBSiO5 phosphors doped with Ce(3+) show blue-violet emission under UV light excitation. LaBSiO5 phosphors co-doped with Ce(3+) and Tb(3+) exhibit blue-violet and green emission under excitation by UV light. The blue-violet emission is due to the 5d-4f transition of Ce(3+) and the green emission is ascribed to the (5) D4 → (7) F5 transition of Tb(3+). The spectral overlap between the excitation band of Tb(3+) and the emission band of Ce(3+) supports the occurrence of energy transfer from Ce(3+) to Tb(3+), and the energy transfer process was investigated. Copyright © 2014 John Wiley & Sons, Ltd.

Long-range-corrected Rung 3.5 density functional approximations

Science.gov (United States)

Janesko, Benjamin G.; Proynov, Emil; Scalmani, Giovanni; Frisch, Michael J.

2018-03-01

Rung 3.5 functionals are a new class of approximations for density functional theory. They provide a flexible intermediate between exact (Hartree-Fock, HF) exchange and semilocal approximations for exchange. Existing Rung 3.5 functionals inherit semilocal functionals' limitations in atomic cores and density tails. Here we address those limitations using range-separated admixture of HF exchange. We present three new functionals. LRC-ωΠLDA combines long-range HF exchange with short-range Rung 3.5 ΠLDA exchange. SLC-ΠLDA combines short- and long-range HF exchange with middle-range ΠLDA exchange. LRC-ωΠLDA-AC incorporates a combination of HF, semilocal, and Rung 3.5 exchange in the short range, based on an adiabatic connection. We test these in a new Rung 3.5 implementation including up to analytic fourth derivatives. LRC-ωΠLDA and SLC-ΠLDA improve atomization energies and reaction barriers by a factor of 8 compared to the full-range ΠLDA. LRC-ωΠLDA-AC brings further improvement approaching the accuracy of standard long-range corrected schemes LC-ωPBE and SLC-PBE. The new functionals yield highest occupied orbital energies closer to experimental ionization potentials and describe correctly the weak charge-transfer complex of ethylene and dichlorine and the hole-spin distribution created by an Al defect in quartz. This study provides a framework for more flexible range-separated Rung 3.5 approximations.

Is inositol (1,3,4,5)-tetrakisphosphate a new second messenger?

International Nuclear Information System (INIS)

Hansen, C.A.; Williamson, J.R.

1986-01-01

Hormone-stimulated hydrolysis of inositol (Ins) lipids results in the rapid formation of Ins(1,4,5)P 3 , the second messenger for intracellular Ca 2+ mobilization. Recently, a more polar inositol phosphate, Ins(1,3,4,5)P 4 as well as its probable hydrolysis product Ins(1,3,4)P 3 have been reported to accumulate in carbachol-stimulated brain slices. Vasopressin addition to hepatocytes prelabeled with [ 3 H]-Ins also showed a rapid increase of Ins(1,3,4,5)P 4 , which was similar to that of Ins(1,4,5)P 3 , while the accumulation of Ins(1,3,4)P 3 was slower. In order to examine whether Ins(1,3,4,5)P 4 has any functional effects on Ca 2+ homeostasis, it was synthesized enzymatically from [ 3 H]-Ins(1,4,5)P 3 using a partially purified phosphoinositol kinase activity from rat brain cortex. [ 3 H]-labeled inositol phosphates were separated by anion exchange chromatography and analyzed by HPLC using ammonium formate/phosphoric acid gradient elution. Preliminary experiments indicate that Ins(1,3,4,5)P 4 up to 10 μM does not release Ca 2+ from vesicular pools in saponin-permeabilized hepatocytes. It has a slight inhibitory effect on Ins(1,4,5)P 3 -induced Ca 2+ release. The effect of Ins(1,3,4,5)P 4 on plasma membrane Ca 2+ fluxes are presently being investigated

Polymorphic phase transition dependence of piezoelectric properties in (K0.5Na0.5)NbO3-(Bi0.5K0.5)TiO3 lead-free ceramics

International Nuclear Information System (INIS)

Du Hongliang; Zhou Wancheng; Luo Fa; Zhu Dongmei; Qu Shaobo; Li Ye; Pei Zhibin

2008-01-01

Lead-free ceramics (1 - x)(K 0.5 Na 0.5 )NbO 3 -x(Bi 0.5 K 0.5 )TiO 3 [(1 - x)KNN-xBKT] were synthesized by conventional solid-state sintering. The phase structure, microstructure and electrical properties of (1 - x)KNN-xBKT ceramics were investigated. At room temperature, the polymorphic phase transition (from the orthorhombic to the tetragonal phase) (PPT) was identified at x = 0.02 by the analysis of x-ray diffraction patterns and dielectric spectroscopy. Enhanced electrical properties (d 33 = 251 pC N -1 , k p = 0.49, k t = 0.50, ε 33 T / ε 0 =1260, tan δ = 0.03 and T C = 376 deg. C) were obtained in the ceramics with x = 0.02 owing to the formation of the PPT at 70 deg. C and the selection of an optimum poling temperature. The related mechanisms for high piezoelectric properties in (1 - x)KNN-xBKT (x = 0.02) ceramics were discussed. In addition, the results confirmed that the selection of the optimum poling temperature was an effective way to further improve the piezoelectric properties of KNN-based ceramics. The enhanced properties were comparable to those of hard Pb(Zr, Ti)O 3 ceramics and indicated that the (1 - x)KNN-xBKT (x = 0.02) ceramic was a promising lead-free piezoelectric candidate material for actuator and transducer applications

Tert-butyl 3-oxo-2,3,4,5,6,7-hexahydro-1H-pyrazolo[4,3-c]pyridine-5-carboxylate

Directory of Open Access Journals (Sweden)

Tara Shahani

2010-01-01

Full Text Available In the title compound, C11H17N3O3, the pyrazole ring is approximately planar, with a maximum deviation of 0.005 (2 Å, and forms a dihedral angle of 5.69 (13° with the plane through the six atoms of the piperidine ring. In the crystal, pairs of intermolecular N—H...O hydrogen bonds form dimers with neighbouring molecules, generating R22(8 ring motifs. These dimers are further linked into two-dimensional arrays parallel to the bc plane by intermolecular N—H...O and C—H...O hydrogen bonds.

Valence behavior of Eu-ions in intermetallic compound Ce{sub 0.5}Eu{sub 0.5}Pd{sub 3}B{sub 0.5}

Energy Technology Data Exchange (ETDEWEB)

Pandey, Abhishek, E-mail: apandey@ameslab.gov [Experimental Condensed Matter Physics Division, Saha Institute of Nuclear Physics, 1/AF, Bidhannagar, Kolkata 700064 (India); S.N. Bose National Centre for Basic Sciences, Block-JD, Sector-III, Salt Lake, Kolkata 700098 (India); Mazumdar, Chandan, E-mail: chandan.mazumdar@saha.ac.in [S.N. Bose National Centre for Basic Sciences, Block-JD, Sector-III, Salt Lake, Kolkata 700098 (India); Ranganathan, R. [S.N. Bose National Centre for Basic Sciences, Block-JD, Sector-III, Salt Lake, Kolkata 700098 (India); Raghavendra Reddy, V.; Gupta, Ajay [UGC-DAE Consortium for Scientific Research, University Campus, Khandawa Road, Indore (India)

2011-12-15

We have studied the valence behavior of rare-earth ions, in particular Eu-ions, in a cubic intermetallic compound Ce{sub 0.5}Eu{sub 0.5}Pd{sub 3}B{sub 0.5} which is a homogeneous solid solution of two mixed-valent compounds CePd{sub 3} and EuPd{sub 3}B. Results of {sup 151}Eu Moessbauer spectroscopic measurements show that two different valence states, i.e., divalent- and trivalent-like states of Eu-ions exist in the compound. The possible reason for the observed heterogeneous valency vis-a-vis the variation in the chemical environment and the number of nearest-neighbor B atoms surrounding the Eu-ions has been discussed. Our results demonstrate that B incorporation in such Eu-based cubic intermetallic compounds leads to a situation where heterogeneous-valence state of Eu-ions is an energetically favorable ground state. - Highlights: > Intermetallic compound Ce{sub 0.5}Eu{sub 0.5}Pd{sub 3}B{sub 0.5} crystallizes in a single phase. > Eu-ions in Ce{sub 0.5}Eu{sub 0.5}Pd{sub 3}B{sub 0.5} are charge-ordered compared to +2.3 valency in Ce{sub 0.5}Eu{sub 0.5}Pd{sub 3}. > B incorporation makes charge-ordered state of Eu-ions energetically more favorable. > Nearest-neighbor chemical environment affects the Eu valency.

Phase transition and piezoelectric properties of K0.48Na0.52NbO3-LiTa0.5Nb0.5O3-NaNbO3 lead-free ceramics

International Nuclear Information System (INIS)

Gao Feng; Liu Liangliang; Xu Bei; Cao Xiao; Deng Zhenqi; Tian Changsheng

2011-01-01

Highlights: → The evolution of the crystal structure for the new phase K 3 Li 2 Nb 5 O 15 was described. → The dielectric relaxor behavior would be strengthened by increasing plate-like NN. → k p and d 33 decrease with increasing amount of plate-like NN. → 0.01-0.03 mol of plate-like NN is a proper content for texturing ceramics by RTGG. - Abstract: Plate-like NaNbO 3 (NN) particles were used as the raw material to fabricate (1 - x)[0.93 K 0.48 Na 0.52 Nb O 3 -0.07Li(Ta 0.5 Nb 0.5 )O 3 ]-xNaNbO 3 lead-free piezoelectric ceramics using a conventional ceramic process. The effects of NN on the crystal structure and piezoelectric properties of the ceramics were investigated. The results of X-ray diffraction suggest that the perovskite phase coexists with the K 3 Li 2 Nb 5 O 15 phase, and the tilting of the oxygen octahedron is probably responsible for the evolution of the tungsten-bronze-typed K 3 Li 2 Nb 5 O 15 phase. The Curie temperature (T C ) is shifted to lower temperature with increasing NN content. (1 - x)[0.93 K 0.48 Na 0.52 NbO 3 -0.07Li(Ta 0.5 Nb 0.5 )O 3 ]-xNaNbO 3 ceramics show obvious dielectric relaxor characteristics for x > 0.03, and the relaxor behavior of ceramics is strengthened by increasing NN content. Both the electromechanical coupling factor (k p ) and the piezoelectric constant (d 33 ) decrease with increasing amounts of NN. 0.01-0.03 mol of plate-like NaNbO 3 in 0.93 K 0.48 Na 0.52 NbO 3 -0.07Li(Ta 0.5 Nb 0.5 )O 3 gives the optimum content for preparing textured ceramics by the RTGG method.

TRMM Microwave Imager (TMI) Level 3 Monthly 0.5 degree x 0.5 degree Profiling V7 (3A12) at GES DISC V7

Data.gov (United States)

National Aeronautics and Space Administration — This document provides basic information on 3A12, TMI Monthly 0.5 deg. x 0.5 deg. Profiling. Algorithm 3A12 produces global 0.5 deg. x 0.5 deg. monthly gridded means...

Attosecond sublevel beating and nonlinear dressing on the 3d-to-5p and 3p-to-5s core-transitions at 91.3 eV and 210.4 eV in krypton.

Science.gov (United States)

Seres, Enikoe; Seres, Jozsef; Namba, Shinichi; Afa, John; Serrat, Carles

2017-12-11

Applying extreme ultraviolet (XUV) transient absorption spectroscopy, the dynamics of the two laser dressed transitions 3d 5/2 -to-5p 3/2 and 3p 3/2 -to-5s 1/2 at photon energies of 91.3 eV and 210.4 eV were examined with attosecond temporal resolution. The dressing process was modeled with density matrix equations which are found to describe very accurately both the experimentally observed transmission dynamics and the linear and nonlinear dressing oscillations at 0.75 PHz and 1.5 PHz frequencies. Furthermore, using Fourier transform XUV spectroscopy, quantum beats from the 3d 5/2 -3d 3/2 and 3p 3/2 -3p 1/2 sublevels at 0.3 PHz and 2.0 PHz were experimentally identified and resolved.

Crystal structure of Ga{sub 0.5}In{sub 1.5}Se{sub 3} solid solution

Energy Technology Data Exchange (ETDEWEB)

Akhmedova, S. I., E-mail: seva-ahmed@mail.ru; Asadov, Yu. G.; Guseinov, G. G. [Azerbaijan National Academy of Sciences, Institute of Physics (Azerbaijan)

2016-01-15

A solid solution of the GaIn{sub 3}Se{sub 6} (2Ga{sub 0.5}In{sub 1.5}Se{sub 3}) composition with a hexagonal lattice (a = 7.051(3) Å, c = 19.148(2) Å, sp. gr. P6{sub 1}, z = 6, V = 824.4332(4) Å{sup 3}, ρ = 5.379(2) g/cm{sup 3}) has been synthesized as a result of alloying Ga, In, and Se elements with a metal ratio of 1: 3. It was established that six out of nine In atoms in the lattice are located in a trigonal bipyramid, while the other three In atoms and three Ga atoms have a tetrahedral coordination.

User Guide for the R5EXEC Coupling Interface in the RELAP5-3D Code

Energy Technology Data Exchange (ETDEWEB)

Forsmann, J. Hope [Idaho National Lab. (INL), Idaho Falls, ID (United States); Weaver, Walter L. [Idaho National Lab. (INL), Idaho Falls, ID (United States)

2015-04-01

This report describes the R5EXEC coupling interface in the RELAP5-3D computer code from the users perspective. The information in the report is intended for users who want to couple RELAP5-3D to other thermal-hydraulic, neutron kinetics, or control system simulation codes.

5-[3-(2,5-Dimethoxyphenylprop-2-enylidene]-1,3-diethyl-2-thioxohexahydropyrimidine-4,6-dione

Directory of Open Access Journals (Sweden)

Abdullah Mohamed Asiri

2009-08-01

Full Text Available 1,3-Diethyl-2-thiobarbituric acid reacts with 2,5-dimethoxybenzaldehyde to form the title Knoevenagel product, C19H22N2O4S. In the compound, the two six-membered rings at either end of the three-membered –CHCHCH– chain are nearly coplanar with this fragment (r.m.s. deviation of the two six-membered rings and the three chain atoms = 0.08 Å.

4-[4-(4-Fluorophenyl-2-methyl-5-oxo-2,5-dihydroisoxazol-3-yl]-1-methylpyridinium iodide–4-[3-(4-fluorophenyl-2-methyl-5-oxo-2,5-dihydroisoxazol-4-yl]-1-methylpyridinium iodide (0.6/0.4

Directory of Open Access Journals (Sweden)

Simona Margutti

2008-01-01

Full Text Available The crystal structure of the title compound, C16H16FN2O2+·I−, was determined as part of a study of the biological activity of isoxazolone derivatives as p38 mitogen-activated protein kinase (MAPK inhibitors. The X-ray crystal structure of 4-[4-(4-fluorophenyl-2-methyl-5-oxo-2,5-dihydroisoxazol-3-yl]-1-methylpyridinium iodide showed the presence of the regioisomer 4-[3-(4-fluorophenyl-2-methyl-5-oxo-2,5-dihydroisoxazol-4-yl]-1-methylpyridinium iodide. The synthesis of the former compound was achieved by reacting 4-(4-fluorophenyl-3-(4-pyridylisoxazol-5(2H-one after treatment with Et3N in dimethylformamide, with iodomethane. The unexpected formation of the regioisomer could be explained by a rearrangement occurring via aziridine of the isoxazolone compound. The regioisomers have site occupancies of 0.632 (4/0.368 (4. The two six members rings make a dihedral angle of 66.8 (2°.

RELAP5/MOD3.3 assessment against MSIV closure events in Krsko NPP

International Nuclear Information System (INIS)

Parzer, I.

2002-01-01

The paper presents RELAP5/MOD3.3 analysis of two abnormal events occurred in Krsko NPP originating from sudden closure of Main Steam Isolation Valve (MSIV). Both events occurred before the SG replacement in 2000, the first one in September 1995 and the second one in January 1997. Valuable plant data were obtained from real plant transients and the RELAP5 code assessment was performed. Recently the last frozen version RELAP5/MOD3.3 has been released, before merging with another best-estimate thermalhydraulic system code TRAC into an integrated code. It is thus of utmost importance to assess models built in RELAP5 code against real plant transients before the code merger. A full twoloop plant model, developed at Jozef Stefan Institute (JSI), has been used for the analyses. The model includes old Westinghouse D4 type steam generators (SGs) with assumed 18% Utubes plugged in both steam generators. In the first case a malfunction in the MSIV in SG-1 caused inadvertent valve closure, while in the second case the valve stem has been broken in the SG-2, which also caused sudden valve closure.(author)

RELAP5-3D Code Includes ATHENA Features and Models

International Nuclear Information System (INIS)

Riemke, Richard A.; Davis, Cliff B.; Schultz, Richard R.

2006-01-01

Version 2.3 of the RELAP5-3D computer program includes all features and models previously available only in the ATHENA version of the code. These include the addition of new working fluids (i.e., ammonia, blood, carbon dioxide, glycerol, helium, hydrogen, lead-bismuth, lithium, lithium-lead, nitrogen, potassium, sodium, and sodium-potassium) and a magnetohydrodynamic model that expands the capability of the code to model many more thermal-hydraulic systems. In addition to the new working fluids along with the standard working fluid water, one or more noncondensable gases (e.g., air, argon, carbon dioxide, carbon monoxide, helium, hydrogen, krypton, nitrogen, oxygen, SF 6 , xenon) can be specified as part of the vapor/gas phase of the working fluid. These noncondensable gases were in previous versions of RELAP5-3D. Recently four molten salts have been added as working fluids to RELAP5-3D Version 2.4, which has had limited release. These molten salts will be in RELAP5-3D Version 2.5, which will have a general release like RELAP5-3D Version 2.3. Applications that use these new features and models are discussed in this paper. (authors)

Biodegradation of Nitro-Substituted Explosives 2,4,6-Trinitrotoluene, Hexahydro-1,3,5-Trinitro-1,3,5-Triazine, and Octahydro-1,3,5,7-Tetranitro-1,3,5-Tetrazocine by a Phytosymbiotic Methylobacterium sp. Associated with Poplar Tissues (Populus deltoides × nigra DN34)

Science.gov (United States)

Van Aken, Benoit; Yoon, Jong Moon; Schnoor, Jerald L.

2004-01-01

A pink-pigmented symbiotic bacterium was isolated from hybrid poplar tissues (Populus deltoides × nigra DN34). The bacterium was identified by 16S and 16S-23S intergenic spacer ribosomal DNA analysis as a Methylobacterium sp. (strain BJ001). The isolated bacterium was able to use methanol as the sole source of carbon and energy, which is a specific attribute of the genus Methylobacterium. The bacterium in pure culture was shown to degrade the toxic explosives 2,4,6-trinitrotoluene (TNT), hexahydro-1,3,5-trinitro-1,3,5-triazene (RDX), and octahydro-1,3,5,7-tetranitro-1,3,5-tetrazocine (HMX). [U-ring-14C]TNT (25 mg liter−1) was fully transformed in less than 10 days. Metabolites included the reduction derivatives amino-dinitrotoluenes and diamino-nitrotoluenes. No significant release of 14CO2 was recorded from [14C]TNT. In addition, the isolated methylotroph was shown to transform [U-14C]RDX (20 mg liter−1) and [U-14C]HMX (2.5 mg liter−1) in less than 40 days. After 55 days of incubation, 58.0% of initial [14C]RDX and 61.4% of initial [14C]HMX were mineralized into 14CO2. The radioactivity remaining in solution accounted for 12.8 and 12.7% of initial [14C]RDX and [14C]HMX, respectively. Metabolites detected from RDX transformation included a mononitroso RDX derivative and a polar compound tentatively identified as methylenedinitramine. Since members of the genus Methylobacterium are distributed in a wide diversity of natural environments and are very often associated with plants, Methylobacterium sp. strain BJ001 may be involved in natural attenuation or in situ biodegradation (including phytoremediation) of explosive-contaminated sites. PMID:14711682

Relevance of CCL3/CCR5 axis in oral carcinogenesis.

Science.gov (United States)

da Silva, Janine Mayra; Moreira Dos Santos, Tálita Pollyanna; Sobral, Lays Martin; Queiroz-Junior, Celso Martins; Rachid, Milene Alvarenga; Proudfoot, Amanda E I; Garlet, Gustavo Pompermaier; Batista, Aline Carvalho; Teixeira, Mauro Martins; Leopoldino, Andréia Machado; Russo, Remo Castro; Silva, Tarcília Aparecida

2017-08-01

The chemokine CCL3 is a chemotactic cytokine crucial for inflammatory cell recruitment in homeostatic and pathological conditions. CCL3 might stimulate cancer progression by promoting leukocyte accumulation, angiogenesis and tumour growth. The expression of CCL3 and its receptors CCR1 and CCR5 was demonstrated in oral squamous cell carcinoma (OSCC), but their role was not defined. Here, the functions of CCL3 were assessed using a model of chemically induced tongue carcinogenesis with 4-nitroquinoline-1-oxide (4NQO). Lineages of OSCC were used to analyse the effects of CCL3 in vitro . The 4NQO-induced lesions exhibited increased expression of CCL3, CCR1 and CCR5. CCL3 -/- and CCR5 -/- mice presented reduced incidence of tongue tumours compared to wild-type (WT) and CCR1 -/- mice. Consistently, attenuated cytomorphological atypia and reduced cell proliferation were observed in lesions of CCL3 -/- and CCR5 -/- mice. OSCC from CCL3 -/- mice exhibited lower infiltration of eosinophils and reduced expression of Egf, Fgf1, Tgf-β1, Vegfa, Vegfb, Itga-4, Vtn, Mmp-1a, Mmp-2 and Mmp-9 than WT mice. In vitro , CCL3 induced invasion and production of CCL5, IL-6, MMP -2, -8, -9. Blockage of CCL3 in vitro using α-CCL3 or Evasin-1 (a CCL3-binding protein) impaired tumour cell invasion. In conclusion, CCL3/CCR5 axis has pro-tumourigenic effects in oral carcinogenesis. The induction of inflammatory and angiogenic pathways and eosinophils recruitment appear to be the underlying mechanism explaining these effects. These data reveal potential protective effects of CCL3 blockade in oral cancer.

Xenon spectator and diagram L3-M4,5M4,5 Auger intensities near the L3 threshold

International Nuclear Information System (INIS)

Armen, G.B.; Levin, J.C.; Southworth, S.H.; LeBrun, T.; Arp, U.; MacDonald, M.A.

1997-01-01

Calculations based on the theory of radiationless resonant Raman scattering are employed in the interpretation of new XeL 3 -M 4,5 M 4,5 Auger spectra recorded using synchrotron radiation tuned to energies across the L 3 edge. Fits of theoretical line shapes to the spectra are employed in separating intensities due to nd spectator (resonant) and diagram Auger processes. Near-threshold Auger intensity, previously attributed to diagram decay, is found to be due to the large-n spectator lines that result from postcollision-interaction endash induced open-quotes recaptureclose quotes of threshold photoelectrons to nd orbitals. copyright 1997 The American Physical Society

Polarization dependence of double-resonance optical pumping and electromagnetically induced transparency in the 5S1/2-5P3/2-5D5/2 transition of 87Rb atoms

International Nuclear Information System (INIS)

Moon, Han Seb; Noh, Heung-Ryoul

2011-01-01

The polarization dependence of double-resonance optical pumping (DROP) in the ladder-type electromagnetically induced transparency (EIT) of the 5S 1/2 -5P 3/2 -5D 5/2 transition of 87 Rb atoms is studied. The transmittance spectra in the 5S 1/2 (F=2)-5P 3/2 (F'=3)-5D 5/2 (F''=2,3,4) transition were observed as caused by EIT, DROP, and saturation effects in the various polarization combinations between the probe and coupling lasers. The features of the double-structure transmittance spectra in the 5S 1/2 (F=2)-5P 3/2 (F'=3)-5D 5/2 (F''=4) cycling transition were attributed to the difference in saturation effect according to the transition routes between the Zeeman sublevels and the EIT according to the two-photon transition probability.

Computational investigation of hydrogen storage on B5V3

Science.gov (United States)

Guo, Chen; Wang, Chong

2018-05-01

Based on density functional theory method with 6-311+G(d,p) basis set, the structures, stability and hydrogen storage capacity of B5V3 have been theoretically investigated. It is found that a maximum of seven hydrogen molecules can be adsorbed on B5V3 with gravimetric uptake capacity of 6.39 wt%. The uptake capacity exceeds the target set by the US Department of Energy for vehicular application. Moreover, the average adsorption energy of B5V3 01 (7H2) is 0.60 eV/H2 in the desirable range of reversible hydrogen storage. The kinetic stability of H2 adsorbed on B5V3 01 is confirmed by using gap between highest occupied molecular orbital (HOMO)and the lowest unoccupied molecular orbital (LUMO). The gap value of B5V3 01 (7H2) is 2.81 eV, which indicates the compound with high stability. In addition, the thermochemistry calculation (Gibbs free energy corrected adsorption energy) is used to analyse if the adsorption is favourable or not at different temperatures. It can be found that the Gibbs corrected adsorption energy of B5V3 01 (7H2) is still positive at 400 K at 1 atm. It means that the adsorption of seven hydrogen molecules on B5V3 01 is energetically favourable in a fairly wide temperature range. All the results show that B5V3 01 can be considered as a promising material for hydrogen storage.

Phosphatidylinositol 3,5-Bisphosphate-Rich Membrane Domains in Endosomes and Lysosomes.

Science.gov (United States)

Takatori, Sho; Tatematsu, Tsuyako; Cheng, Jinglei; Matsumoto, Jun; Akano, Takuya; Fujimoto, Toyoshi

2016-02-01

Phosphatidylinositol 3,5-bisphosphate (PtdIns(3,5)P2 ) has critical functions in endosomes and lysosomes. We developed a method to define nanoscale distribution of PtdIns(3,5)P2 using freeze-fracture electron microscopy. GST-ATG18-4×FLAG was used to label PtdIns(3,5)P2 and its binding to phosphatidylinositol 3-phosphate (PtdIns(3)P) was blocked by an excess of the p40(phox) PX domain. In yeast exposed to hyperosmotic stress, PtdIns(3,5)P2 was concentrated in intramembrane particle (IMP)-deficient domains in the vacuolar membrane, which made close contact with adjacent membranes. The IMP-deficient domain was also enriched with PtdIns(3)P, but was deficient in Vph1p, a liquid-disordered domain marker. In yeast lacking either PtdIns(3,5)P2 or its effector, Atg18p, the IMP-deficient, PtdIns(3)P-rich membranes were folded tightly to make abnormal tubular structures, thus showing where the vacuolar fragmentation process is arrested when PtdIns(3,5)P2 metabolism is defective. In HeLa cells, PtdIns(3,5)P2 was significantly enriched in the vesicular domain of RAB5- and RAB7-positive endosome/lysosomes of the tubulo-vesicular morphology. This biased distribution of PtdIns(3,5)P2 was also observed using fluorescence microscopy, which further showed enrichment of a retromer component, VPS35, in the tubular domain. This is the first report to show segregation of PtdIns(3,5)P2 -rich and -deficient domains in endosome/lysosomes, which should be important for endosome/lysosome functionality. © 2015 John Wiley & Sons A/S. Published by John Wiley & Sons Ltd.

Synthesize and preliminary biodistribution of 99Tcm(CO)3-PNP5

International Nuclear Information System (INIS)

Chu Jinfeng; Kong Dejing; Li Bin; Wang Xuebin

2007-01-01

99 Tc m (CO) 3 -PNP5 (PNP5: bis (dimethoxypropylphosphinoethyl) ethoxyethyl- amine) is synthesized through a simple two-step procedure by ligand exchange reaction and its biological characters are studied. Labelling conditions of 99 Tc m (CO) 3 -PNP5 are optimized. Its labelling yield and radio chemical purity are all over 90% determined by TLC. The results of partition coefficient, charge character and stability studies indicate that 99 Tc m (CO) 3 -PNP5 is a lipophilic cation ligand with complex with positiue charge and good stability. Biological properties of 99 Tc m (CO) 3 -PNP5 and 99 Tc m (CO) 3 -PNP5 (T) (adding Tween) are valued contrastively in mice. The results show that 99 Tc m (CO) 3 -PNP5(T) have higher myocardial uptake, lower liver uptake, and higher heart-to-liver ratio. It indicats that the biological properties of 99 Tc m (CO) 3 -PNP5 are improved obviously by adding Tween-80. (authors)

SCDAP/RELAP5/MOD3 code development and assessment

International Nuclear Information System (INIS)

Allison, C.M.; Heath, C.H.; Siefken, L.J.; Hohorst, J.K.

1991-01-01

The SCDAP/RELAP5/MOD3 computer code is designed to describe the overall reactor coolant system (RCS) thermal-hydraulic response, core damage progression, and fission product release and transport during severe accidents. The code is being developed at the Idaho National Engineering Laboratory (INEL) under the primary sponsorship of the Office of Nuclear Regulatory Research of the Nuclear Regulatory Commission (NRC). SCDAP/RELAP5/MOD3, created in January, 1991, is the result of merging RELAP5/MOD3 with SCDAP and TRAP-MELT models from SCDAP/RELAP5/MOD2.5. The RELAP5 models calculate the overall RCS thermal-hydraulics, control system interactions, reactor kinetics, and the transport of noncondensible gases, fission products, and aerosols. The SCDAP models calculate the damage progression in the core structures, the formation, heatup, and melting of debris, and the creep rupture failure of the lower head and other RCS structures. The TRAP-MELT models calculate the deposition of fission products upon aerosols or structural surfaces; the formation, growth, or deposition of aerosols; and the evaporation of species from surfaces. The systematic assessment of modeling uncertainties in SCDAP/RELAP5 code is currently underway. This assessment includes (a) the evaluation of code-to-data comparisons using stand-alone SCDAP and SCDAP/RELAP5/MOD3, (b) the estimation of modeling and experimental uncertainties, and (c) the determination of the influence of those uncertainties on predicted severe accident behavior

SCDAP/RELAP5/MOD3 code development

International Nuclear Information System (INIS)

Allison, C.M.; Siefken, J.L.; Coryell, E.W.

1992-01-01

The SCOAP/RELAP5/MOD3 computer code is designed to describe the overall reactor coolant system (RCS) thermal-hydraulic response, core damage progression, and fission product release and transport during severe accidents. The code is being developed at the Idaho National Engineering Laboratory (INEL) under the primary sponsorship of the Office of Nuclear Regulatory Research of the US Nuclear Regulatory Commission (NRC). Code development activities are currently focused on three main areas - (a) code usability, (b) early phase melt progression model improvements, and (c) advanced reactor thermal-hydraulic model extensions. This paper describes the first two activities. A companion paper describes the advanced reactor model improvements being performed under RELAP5/MOD3 funding

PtdIns(3,4,5)P3 is a regulator of myosin-X localization and filopodia formation

DEFF Research Database (Denmark)

Plantard, Laure; Arjonen, Antti; Lock, John G

2010-01-01

Phosphatidylinositol (3,4,5)-trisphosphate [PtdIns(3,4,5)P3] is a key regulator of cell signaling that acts by recruiting proteins to the cell membrane, such as at the leading edge during cell migration. Here, we show that PtdIns (3,4,5)P3 plays a central role in filopodia formation via the bindi...... endosomal vesicles. Given that the localization of Myo10 was dynamically restored to filopodia upon reinstatement of PtdIns(3,4,5)P3-binding, our results indicate that PtdIns(3,4,5)P3 binding to the Myo10-PH2 domain is involved in Myo10 trafficking and regulation of filopodia dynamics....

Geometry task sheets : grades 3-5

CERN Document Server

Rosenberg, Mary

2009-01-01

For grades 3-5, our Common Core State Standards-based resource meets the geometry concepts addressed by the NCTM standards and encourages the students to learn and review the concepts in unique ways. Each task sheet is organized around a central problem taken from real-life experiences of the students.

Neutron structural studies of La3.5-x-y(Y)yBa3.5-xCa2xCu7Oz (x = y = 0.0 and 0.5) system

International Nuclear Information System (INIS)

Subbarao, M.V.; Kulkarni, R.G.; Rajagopal, H.; Sequeira, A.S.

1997-01-01

By mixing equal amounts of La 4-x Ca x Ba 3 Cu 7 O z and La 3 Ba 4-x Ca x Cu 7 O z in the proportion of 1 : 1, a series of superconductors part of La replaced by Y with the nominal composition of La 3.5-x-y )(Y) y Ba 3.-5-x Ca 2x Cu 7 O z (LYCP) have been prepared. Two samples with x = y = 0.0 (A) and x = y = 0.5 (B) characterized by x-ray diffraction display tetragonal triple perovskite structure. In order to investigate the effect of substituents (Ca/Y) on structure of this system, neutron diffraction measurements have been carried out at 300 K and λ n =1.216A at Dhruva reactor

Synthesis of carbon-14 analogue of 1,5 diaryl-5-[{sup 14}C]-1,2,3-triazoles

Energy Technology Data Exchange (ETDEWEB)

Matloubi, Hojatollah E-mail: hmatloubi@aeoi.org.ir; Shafiee, Abbas; Saemian, Nader; Shirvani, Gholamhossein; Daha, Fariba Johari

2004-05-01

Two 1,2,3-triazole anticonvulsants, 1-(4-methylsulfone-phenyl)-5-(4-methyl-phenyl)-1,2,3-triazole and 1-(4-methylsulfone-phenyl)-5-phenyl-1,2,3-triazole, both labeled with carbon-14 in the 5-position were prepared from para-tolunitrile-[cyano-{sup 14}C] and benzonitrile-[cyano-{sup 14}C], respectively.

Cyclic adenosine 3:5-monophosphate binding proteins in Hartmannella culbertsoni

International Nuclear Information System (INIS)

Verma, A.K.; Krishna Murti, C.R.

1976-01-01

When 100, 000 g supernatant fractions of homogenates of Hartmannella culbertsoni were incubated with ('- 3 H)-cyclic adenosine 3 : 5 monophosphate and passed through a sephadex G-100 column, radioactivity appeared with protein fractions eluted after the void colume. About 75% radioactivity bound to these fractions was recovered as cyclic adenosine 3 : 5 monophosphate. Unlabelled cAMP diluted the amount of radioactivity bound. Adenosine, deoxyadenosine, 5-AMP, 3-AMP, ADP and ATP did not inhibit binding. (author)

5-Hydroxytryptamine3 receptor antagonists and cardiac side effects

DEFF Research Database (Denmark)

Brygger, Louise; Herrstedt, Jørn

2014-01-01

(AEs) from 5-HT3-RAs, with focus on the three most commonly used, ondansetron, granisetron and palonosetron. EXPERT OPINION: Most of the studies analyze electrocardiogram (ECG) changes after 5-HT3-RA administrations in healthy, young adults, or in noncancer patients to treat postoperative nausea...

Poly[dimethanolbis[μ-5-(3-pyridyltetrazolato-κ2N2:N5]copper(II

Directory of Open Access Journals (Sweden)

Xiao-Hong Wei

2010-05-01

Full Text Available In the crystal structure of the title complex, [Cu(C6H4N52(CH3OH2]n, the CuII cation lies on an inversion center and is coordinated by four 5-(3-pyridyltetrazolate anions and two methanol molecules in an elongated distorted CuN4O2 octahedral geometry. Each 5-(3-pyridyltetrazolate anion bridges two CuII cations, forming a two-dimensional polymeric complex with (4,4 network topology. In the crystal structure, the two-dimensional layers are connected by intermolecular O—H...N hydrogen bonding, forming a three-dimensional supramolecular architecture.

Positive and negative exchange bias effects from magnetization reversal in Ho{sup 3+} doped YFe{sub 0.5}Cr{sub 0.5}O{sub 3}

Energy Technology Data Exchange (ETDEWEB)

Shi, L.R., E-mail: shiliran1127@126.com [College of Physics and Electrical Engineering, Anyang Normal University, Anyang 455000 (China); Wei, C.X.; Wang, Z.; Ju, L.; Xu, T.S.; Li, T.X.; Yan, X.W. [College of Physics and Electrical Engineering, Anyang Normal University, Anyang 455000 (China); Xia, Z.C. [Wuhan National High Magnetic Field Center, Huazhong University of Science and Technology, Wuhan 430074 (China)

2017-07-01

Highlights: • The dual magnetization reversal is observed in Y{sub 1−x}Ho{sub x}Fe{sub 0.5}Cr{sub 0.5}O{sub 3}. • The EB field transforms from negative to positive and then to negative. • A large exchange bias effect induced by Ho{sup 3+} doping is obtained in Y{sub 1−x}Ho{sub x}Fe{sub 0.5}Cr{sub 0.5}O{sub 3}. - Abstract: The polycrystalline ceramics of Y{sub 1−x}Ho{sub x}Fe{sub 0.5}Cr{sub 0.5}O{sub 3} (x = 0, 0.05 and 0.1) are synthesized by a sol-gel method. The magnetization reversal and exchange bias effect are investigated in single phase bulk Y{sub 1−x}Ho{sub x}Fe{sub 0.5}Cr{sub 0.5}O{sub 3}. Magnetic Ho{sup 3+} ion as a dopant is introduced into the system to confirm the influence of A-site ion on the magnetic interactions. The dual reversal of exchange bias field for x = 0.05 is observed, and its characteristic temperatures are corresponding to the compensation temperatures of magnetization reversal. The exchange bias field of x = 0.1 is found to be ∼10.03 kOe at 4 K, revealing a large value compared with that of x = 0. A schematic diagram based on the competition between the single ion anisotropy and Dzyaloshinsky-Moriya interaction, and the antiparallel coupling between the Ho{sup 3+} moments and the canted Cr{sup 3+}/Fe{sup 3+} moments, is used to understand the dual reversal phenomenon of magnetization and exchange bias effect.

Asymmetric 1,3-Dipolar Cycloadditions to 5-(R)-Menthyloxy-2(5H)-Furanone

NARCIS (Netherlands)

Rispens, Minze T.; Keller, Erik; Lange, Ben de; Zijlstra, Robert W.J.; Feringa, Bernard

Various diazo compounds, nitrile oxides, nitrones and azomethine ylides were examined in 1,3-dipolar cycloadditions to enantiomerically pure 5-(R)-menthyloxy-2(5H)-furanone 1a. Pyrazoline 9 was obtained in 100% c.y. as a mixture of 2 diastereoisomers in ratios up to 72 : 28, whereas pyrazoline 16

Ethyl 2-{4-[(1,5-dibenzyl-2,4-dioxo-2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-3-ylmethyl]-1H-1,2,3-triazol-1-yl}acetate

Directory of Open Access Journals (Sweden)

Hind Jabli

2010-01-01

Full Text Available The reaction of 1,5-dibenzyl-3-propargyl-1,5-benzodiazepine-2,4-dione with ethyl azidoacetate in the presence of copper sulfate pentahydrate and sodium ascorbate leads to the formation of the title regioisomer, C30H29N5O4, which features a phenylene ring fused with a seven-membered diazepinyl ring. The latter ring adopts a boat conformation (with the methyltriazolylacetate-bearing C atom as the prow and the fused-ring C atoms as the stern. The benzyl groups connected to the diazepinyl ring jprotrude from the sides; the methyltriazolylacetate substituent occupies an axial position.

4-({[6-(4-Chlorobenzyl-4-methyl-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl]sulfanyl}acetyl-3-phenylsydnone

Directory of Open Access Journals (Sweden)

Hoong-Kun Fun

2011-04-01

Full Text Available In the title syndone (1,2,3-oxadiazol-3-ylium-5-olate compound, C21H16ClN5O4S, the dihedral angle between the benzene and oxadiazole rings is 55.62 (11° and that between the triazine and the chloro-substituted phenyl rings is 82.45 (9°. There is an intramolecular C—H...S hydrogen bond, which generates an S(5 ring motif. In the crystal, inversion dimers linked by pairs of C—H...O hydrogen bonds generate R22(20 loops. The dimers are connected by C—H...N and C—H...O hydrogen bonds.

Crystallographic and magnetic properties of (Nd,Dy)3Fe27.5(Ti,Mo)1.5 compounds

International Nuclear Information System (INIS)

Han, S.B.; Liu, X.F.; Lv, J.Y.; Peng, J.; Hao, Y.M.; Li, X.J.; Chen, D.F.; Xue, Y.J.; Li, J.H.; Hu, Z.B.

2006-01-01

A systematic study of the formation, structure and magnetic properties of (Nd,Dy) 3 Fe 27.5 (Ti,Mo) 1.5 compounds has been performed. Rietveld analyses of the X-ray patterns of the samples indicate that the concentrations of Ti and Mo affect the formation and structural properties slightly, whereas different rare-earth (Nd and Dy) contents influence them significantly. It is found that high Dy contents make it difficult to form the 3:29-type structures. The Curie temperatures of Nd 2.1 Dy 0.9 Fe 27.5 Ti 1.5- x Mo x decrease monotonically as more Ti was replaced by Mo but their saturation magnetizations remain almost unchanged; in contrast, for Nd 3- y Dy y Fe 27.5 TiMo 0.5 , their saturation magnetizations decrease monotonically with increasing Dy contents while their Curie temperatures are constant

Structural aspects of B2O3-substituted (PbO)0.5(SiO2)0.5 glasses

International Nuclear Information System (INIS)

Sudarsan, V.; Kulshreshtha, S.K.; Shrikhande, V.K.; Kothiyal, G.P.

2002-01-01

Lead borosilicate glasses having general formulae (PbO) 0.5-x (SiO 2 ) 0.5 (B 2 O 3 ) x with 0.0≤x≤0.4 and (PbO) 0.5 (SiO 2 ) 0.5-y (B 2 O 3 ) y with 0.0≤y≤0.5 have been prepared by a conventional melt-quench method and characterized by 29 Si, 11 B magic angle spinning (MAS) NMR techniques and infrared spectroscopy, as regards their structural features. From 29 Si NMR results, it has been inferred that with increasing concentration of boron oxide, (PbO) 0.5-x (SiO 2 ) 0.5 (B 2 O 3 )x glasses exhibit a systematic increase in the number of Q 4 structural units of Si at the expense of Q 2 structural units, along with the formation of Si-O-B linkages. On the other hand, for (PbO) 0.5 (SiO 2 ) 0.5-y (B 2 O 3 ) y glasses, there is no direct interaction between SiO 2 and B 2 O 3 in the glass network, as revealed by the 29 Si MAS NMR studies. Boron exists in both trigonal and tetrahedral configurations for these two series of glasses and for the (PbO) 0.5 (SiO 2 ) 0.5-y (B 2 O 3 ) y series of glasses; the relative concentration of these two structural units remains almost constant with increasing B 2 O 3 concentration. In contrast, for (PbO) 0.5-x (SiO 2 ) 0.5 (B 2 O 3 ) x glasses, there is a slight increase in the number of BO 3 structural units above x = 0.2, as there is a competition between SiO 2 and B 2 O 3 for interaction with Pb 2+ , thereby leading to the formation of BO 3 structural units. For both series of glasses, the thermal expansion coefficient is found to decrease with increasing B 2 O 3 concentration, the effect being more pronounced for the (PbO) 0.5-x (SiO 2 ) 0.5 (B 2 O 3 ) x series of glasses due to the increased concentration of Q 4 structural units of silicon and better cross-linking as a result of the formation of Si-O-B-type linkages. (author)

Comparative Investigation of 0.5Li2MnO3·0.5LiNi0.5Co0.2Mn0.3O2 Cathode Materials Synthesized by Using Different Lithium Sources

Directory of Open Access Journals (Sweden)

Peng-Bo Wang

2018-05-01

Full Text Available Lithium-rich manganese-based cathode materials has been attracted enormous interests as one of the most promising candidates of cathode materials for next-generation lithium ion batteries because of its high theoretic capacity and low cost. In this study, 0.5Li2MnO3·0.5LiNi0.5Co0.2Mn0.3O2 materials are synthesized through a solid-state reaction by using different lithium sources, and the synthesis process and the reaction mechanism are investigated in detail. The morphology, structure, and electrochemical performances of the material synthesized by using LiOH·H2O, Li2CO3, and CH3COOLi·2H2O have been analyzed by using Thermo gravimetric analysis (TGA, X-ray diffraction (XRD, Scanning electron microscope (SEM, Transmission electron microscope (TEM, X-ray photoelectron spectroscopy (XPS, and electrochemical measurements. The 0.5Li2MnO3·0.5LiNi0.5Co0.2Mn0.3O2 material prepared by using LiOH·H2O displays uniform morphology with nano particle and stable layer structure so that it suppresses the first cycle irreversible reaction and structure transfer, and it delivers the best electrochemical performance. The results indicate that LiOH·H2O is the best choice for the synthesis of the 0.5Li2MnO3·0.5LiNi0.5Co0.2Mn0.3O2 material.

Effects of 3,3',5-triiodothyronine on microglial functions.

Science.gov (United States)

Mori, Yuki; Tomonaga, Daichi; Kalashnikova, Anastasia; Furuya, Fumihiko; Akimoto, Nozomi; Ifuku, Masataka; Okuno, Yuko; Beppu, Kaoru; Fujita, Kyota; Katafuchi, Toshihiko; Shimura, Hiroki; Churilov, Leonid P; Noda, Mami

2015-05-01

L-tri-iodothyronine (3, 3', 5-triiodothyronine; T3) is an active form of the thyroid hormone (TH) essential for the development and function of the CNS. Though nongenomic effect of TH, its plasma membrane-bound receptor, and its signaling has been identified, precise function in each cell type of the CNS remained to be investigated. Clearance of cell debris and apoptotic cells by microglia phagocytosis is a critical step for the restoration of damaged neuron-glia networks. Here we report nongenomic effects of T3 on microglial functions. Exposure to T3 increased migration, membrane ruffling and phagocytosis of primary cultured mouse microglia. Injection of T3 together with stab wound attracted more microglia to the lesion site in vivo. Blocking TH transporters and receptors (TRs) or TRα-knock-out (KO) suppressed T3-induced microglial migration and morphological change. The T3-induced microglial migration or membrane ruffling was attenuated by inhibiting Gi /o -protein as well as NO synthase, and subsequent signaling such as phosphoinositide 3-kinase (PI3K), mitogen-activated protein kinase (MAPK)/extracellular signal-regulated kinase (ERK). Inhibitors for Na(+) /K(+) -ATPase, reverse mode of Na(+) /Ca(2+) exchanger (NCX), and small-conductance Ca(2+) -dependent K(+) (SK) channel also attenuated microglial migration or phagocytosis. Interestingly, T3-induced microglial migration, but not phagocytosis, was dependent on GABAA and GABAB receptors, though GABA itself did not affect migratory aptitude. Our results demonstrate that T3 modulates multiple functional responses of microglia via multiple complex mechanisms, which may contribute to physiological and/or pathophysiological functions of the CNS. © 2015 Wiley Periodicals, Inc.

Poly[(μ3-benzene-1,3,5-tricarboxylato-κ3O1:O3:O5(μ2-2-methylimidazolato-κ2N:N′tris(2-methylimidazole-κNdizinc(II

Directory of Open Access Journals (Sweden)

Palanikumar Maniam

2011-06-01

Full Text Available Hydrothermal reaction involving zinc nitrate hexahydrate, trisodium benzene-1,3,5-tricarboxylate (Na3BTC and 2-methylimidazole (2-MeImH yielded the title compound, [Zn2(C9H3O6(C4H5N2(C4H6N23]. In this mixed-ligand metal-organic compound, Zn2+ ions are coordinated by N atoms from 2-MeImH molecules and (2-MeIm− ions, as well as by O atoms from (BTC3− ions. This results in two different distorted tetrahedra, viz. ZnN3O and ZnN2O2. These tetrahedra are interconnected via (BTC3− ions and N:N′-bridging (2-MeIm− ions, thus forming a layered structure in the bc plane. Hydrogen bonds between the O atoms of carboxylate ions and NH groups of 2-MeImH ligands link the layers into a three-dimensional structure.

Obtainment the reverse phase spinel [Zn2+0,5Fe3+0,5](Ni2+0,5Fe3+ 1,5)O4 by the method combustion reaction: the form of assessment heating

International Nuclear Information System (INIS)

Silva, M.C.; Costa, A.C.F.; Coutinho, J.P.; Silva, A.T.C.; Freitas, N.L.

2011-01-01

This paper aims to synthesize the inverse spinel phase of by combustion reaction method and to evaluate how [Zn 2+ 0,5Fe 3+ 0,5](Ni 2+ 0,5Fe 3+ 1,5)O 4 the heat source influences the structural and morphological this phase. The forms of heating were muffle oven and ceramic plate with built-in resistance and aniline as reducing agent. Comparisons were made between temperature, reaction time and physical changes undergone by the material during the combustion carried out in two warm-up. The material was characterized by XRD, SEM, and textural analysis. Based on the results showed that the spinel phase was successfully obtained, were found traces of the phases ZnO and Fe2O3. The Most crystallite size and higher reaction temperature were presented by the material produced in the plate. As for surface area and pore volume, the highest values were achieved by the material synthesized in the oven. The agglomerates were presented in the form of skeins made of pre-sintered particles. (author)

A study of luminescence from Eu"3"+, Ce"3"+, Tb"3"+ and Ce"3"+/Tb"3"+ in new potassium gadolinium phosphate K_3Gd_5(PO_4)_6

International Nuclear Information System (INIS)

Meng, Fangui; Zhang, Hongzhi; Chen, Cuili; Kim, Sun Il; Seo, Hyo Jin; Zhang, Xinmin

2016-01-01

New potassium gadolinium phosphate [K_3Gd_5(PO_4)_6] doped with Eu"3"+, Ce"3"+, Tb"3"+ and co-doped with Ce"3"+ and Tb"3"+ phosphors were prepared by high temperature solid state synthesis. Phase purity of the powders was checked by X-ray powder diffraction. Luminescence and excitation spectra of samples were reported. In particular, the interaction mechanism between Eu"3"+ ions was investigated in terms of the Inokuti–Hirayama model; it was found that the interactions between Eu"3"+ can be assigned to dipole–dipole interaction. K_3Gd_5(PO_4)_6:Eu"3"+ could act as a candidate for solid state lighting due to its strong absorption band in the near-UV region (350–400 nm). The energy transfer from Ce"3"+ to Tb"3"+ was confirmed and the mechanism was studied using Dexter's theory; it is concluded that electric dipole–dipole interaction predominates in the energy transfer process from Ce"3"+ to Tb"3"+ in the K_3Gd_5(PO_4)_6 host. The energy transfer efficiency and critical distance were also investigated. - Highlights: • Optical properties of K_3Gd_5(PO_4)_6:RE"3"+ are investigated for the first time. • The interaction mechanism between Eu"3"+ ions is attributed to dipole–dipole type. • K_3Eu_5(PO_4)_6 is a candidate phosphor for application to solid state lighting. • There exists an efficient energy transfer from Ce"3"+ to Tb"3"+ (η is up to 95%). • The mechanism of energy transfer process is electric dipole–dipole interaction.

Gating function of isoleucine-116 in TM-3 (position III:16/3.40) for the activity state of the CC-chemokine receptor 5 (CCR5)

DEFF Research Database (Denmark)

Steen, A; Sparre-Ulrich, A H; Thiele, Stefanie

2014-01-01

TM receptors - it is a leucine indicating an altered function. Here, we describe the significance of this position and its possible interaction with TM-3 for CCR5 activity. EXPERIMENTAL APPROACH: The effects of [L203F]-CCR5 in TM-5 (position V:13/5.47), [I116A]-CCR5 in TM-3 (III:16/3.40) and [L203F...... ) with a threefold increase in agonist potency. In silico, [I116A]-CCR5 switched χ1-angle in [L203F]-CCR5. Furthermore, [I116A]-CCR5 was constitutively active to a similar degree as [L203F]-CCR5. Tyr(244) in TM-6 (VI:09/6.44) moved towards TM-5 in silico, consistent with its previously shown function for CCR5...... in the active state, a mechanism proposed previously for the β2 -adrenoceptor. The results provide an understanding of chemokine receptor function and thereby information for the development of biased and non-biased antagonists and inverse agonists....

Properties and Crystallization Phenomena in Li2Si2O5–Ca5(PO4)3F and Li2Si2O5–Sr5(PO4)3F Glass–Ceramics Via Twofold Internal Crystallization

Science.gov (United States)

Rampf, Markus; Dittmer, Marc; Ritzberger, Christian; Schweiger, Marcel; Höland, Wolfram

2015-01-01

The combination of specific mechanical, esthetic, and chemical properties is decisive for the application of materials in prosthodontics. Controlled twofold crystallization provides a powerful tool to produce special property combinations for glass–ceramic materials. The present study outlines the potential of precipitating Ca5(PO4)3F as well as Sr5(PO4)3F as minor crystal phases in Li2Si2O5 glass–ceramics. Base glasses with different contents of CaO/SrO, P2O5, and F− were prepared within the glasses of the SiO2–Li2O–K2O–CaO/SrO–Al2O3–P2O5–F system. Preliminary studies of nucleation by means of XRD and scanning electron microscopy (SEM) of the nucleated base glasses revealed X-ray amorphous phase separation phenomena. Qualitative and quantitative crystal phase analyses after crystallization were conducted using XRD in combination with Rietveld refinement. As a main result, a direct proportional relationship between the content of apatite-forming components in the base glasses and the content of apatite in the glass–ceramics was established. The microstructures of the glass–ceramics were investigated using SEM. Microstructural and mechanical properties were found to be dominated by Li2Si2O5 crystals and quite independent of the content of the apatite present in the glass–ceramics. Biaxial strengths of up to 540 MPa were detected. Ca5(PO4)3F and Sr5(PO4)3F influence the translucency of the glass–ceramics and, hence, help to precisely tailor the properties of Li2Si2O5 glass–ceramics. The authors conclude that the twofold crystallization of Li2Si2O5–Ca5(PO4)3F or Li2Si2O5–Sr5(PO4)3F glass–ceramics involves independent solid-state reactions, which can be controlled via the chemical composition of the base glasses. The influence of the minor apatite phase on the optical properties helps to achieve new combinations of features of the glass–ceramics and, hence, displays new potential for dental applications. PMID:26389112

Quaternary chalcogenides La{sub 3}Sn{sub 0.5}InS{sub 7} and La{sub 3}Sn{sub 0.5}InSe{sub 7}

Energy Technology Data Exchange (ETDEWEB)

Iyer, Abishek K.; Lee, Emma J.; Bernard, Guy M.; Michaelis, Vladimir K.; Mar, Arthur [Department of Chemistry, University of Alberta, Edmonton, AB (Canada); Yin, Wenlong [Department of Chemistry, University of Alberta, Edmonton, AB (Canada); Institute of Chemical Materials, China Academy of Engineering Physics, Mianyang (China)

2017-12-13

The quaternary chalcogenides La{sub 3}Sn{sub 0.5}InS{sub 7} and La{sub 3}Sn{sub 0.5}InSe{sub 7} were prepared by reactions of the elements at 1050 C and 950 C, respectively. They adopt noncentrosymmetric structures [hexagonal, space group P6{sub 3}, Z = 2; a = 10.2993(11) Aa, c = 6.0921(6) Aa for La{sub 3}Sn{sub 0.5}InS{sub 7}; a = 10.6533(7) Aa, c = 6.4245(4) Aa for La{sub 3}Sn{sub 0.5}InSe{sub 7}] in which the half-occupancy of Sn atoms within octahedral sites classifies them as belonging to the La{sub 3}Mn{sub 0.5}SiS{sub 7}-type branch of the large family of quaternary rare-earth chalcogenides RE{sub 3}M{sub 1-x}M{sup '}Ch{sub 7}. The site distribution in La{sub 3}Sn{sub 0.5}InCh{sub 7}, with higher-valent Sn atoms occupying octahedral instead of tetrahedral sites, is reversed from the typical situation observed in other RE{sub 3}M{sub 1-x}M{sup '}Ch{sub 7} compounds. The ordered distribution of Sn atoms in octahedral sites and In atoms in tetrahedral sites was evaluated by bond valence sum analyses. Moreover, {sup 119}Sn solid-state nuclear magnetic resonance (NMR) spectroscopy confirms the occupation of Sn{sup 4+} species exclusively within octahedral sites. An optical bandgap of 1.45 eV was found for La{sub 3}Sn{sub 0.5}InS{sub 7}. Band structure calculations on an ordered superstructure model of La{sub 3}Sn{sub 0.5}InS{sub 7} reveal that avoidance of strongly Sn-S antibonding levels is an important driving force for the Sn deficiency. (copyright 2017 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

Design, synthesis, and biological activity of 5'-phenyl-1,2,5,6-tetrahydro-3,3'-bipyridine analogues as potential antagonists of nicotinic acetylcholine receptors.

Science.gov (United States)

Jin, Yafei; Huang, Xiaoqin; Papke, Roger L; Jutkiewicz, Emily M; Showalter, Hollis D; Zhan, Chang-Guo

2017-09-15

Starting from a known non-specific agonist (1) of nicotinic acetylcholine receptors (nAChRs), rationally guided structural-based design resulted in the discovery of a small series of 5'-phenyl-1,2,5,6-tetrahydro-3,3'-bipyridines (3a-3e) incorporating a phenyl ring off the pyridine core of 1. The compounds were synthesized via successive Suzuki couplings on a suitably functionalized pyridine starting monomer 4 to append phenyl and pyridyl substituents off the 3- and 5-positions, respectively, and then subsequent modifications were made on the flanking pyridyl ring to provide target compounds. Compound 3a is a novel antagonist, which is highly selective for α3β4 nAChR (K i =123nM) over the α4β2 and α7 receptors. Copyright © 2017 Elsevier Ltd. All rights reserved.

Microstructural morphologies of slag based glass-ceramics nucleated with 5 wt% Cr{sub 2}O{sub 3} and 5 wt% Cr{sub 2}O{sub 3} + 5 wt% TiO{sub 2}

Energy Technology Data Exchange (ETDEWEB)

Oevecoglu, M.L.; Oezkal, B. [Istanbul Technical Univ. (Turkey). Dept. of Metallurgical and Materials Enginering; Catakli, E. [Mimar Sinan Univ., Istanbul (Turkey). Faculty of Science and Literature; Erkmen, Z.E. [Istnabul Univ. (Turkey). Dept. of Metallurgical Engineering

2002-07-01

Glass-ceramic materials were developed from the blast-furnace slags by mixing 5 wt% Cr{sub 2}O{sub 3} and 5 wt% Cr{sub 2}O{sub 3} + 5 wt% TiO{sub 2}. The samples were nucleated for 18 h at 780 C and crystallized for 20 min. at 905 C, respectively. SEM and SEM/EDS investigations revealed the presence of clover-shaped TiO{sub 2} particles in the glassy matrix of the sample nucleated with 5 wt% Cr{sub 2}O{sub 3} + 5 wt% TiO{sub 2} and polygonal-shaped Cr{sub 2}O{sub 3} platelets for both samples. XRD scans revealed the presence of akermanite (2CaO.MgO.2SiO{sub 2}) and gehlenite (2CaO.Al{sub 2}O{sub 3}.SiO{sub 2}) peaks indicating the existence of the mellilite solid solution for the crystallized glass-ceramic samples. (orig.)

Oxygen permeation properties of dense Bi1.5Er0.5O3-Ag cermet membranes

NARCIS (Netherlands)

ten Elshof, Johan E.; Nguyen, N.Q.; den Otter, M.W.; Bouwmeester, Henricus J.M.

1997-01-01

Oxygen permeation experiments were performed on dense mixed-conducting ceramic-metal composite membranes (thickness 0.2 to 2 mm) Bi1.5Er0.5O3-Ag with 10.0, 27.8, and 40.0 volume percent (v/o) silver, respectively, in the temperature range 873 to 993 K and oxygen partial pressure range 10–3.5 to 1

D-6-Deoxy-myo-inositol 1,3,4,5-tetrakisphosphate, a mimic of D-myo-inositol 1,3,4,5-tetrakisphosphate: biological activity and pH-dependent conformational properties

International Nuclear Information System (INIS)

Horne, Graeme; Maechling, Clarisse; Fleig, Andrea; Hirata, Masato; Penner, Reinhold; Spiess, Bernard; Potter, Barry V.L.

2004-01-01

D-6-Deoxy-myo-inositol 1,3,4,5-tetrakisphosphate [D-6-deoxy-Ins(1,3,4,5)P 4 ] 3 is a novel deoxygenated analogue of D-myo-inositol 1,3,4,5-tetrakisphosphate [Ins(1,3,4,5)P 4 ] 2, a central and enigmatic molecule in the polyphosphoinositide pathway of cellular signalling. D-6-Deoxy-Ins(1,3,4,5)P 4 is a moderate inhibitor of Ins(1,4,5)P 3 5-phosphatase [1.8 μM] compared to Ins(1,3,4,5)P 4 [0.15 μM] and similar to that of L-Ins(1,3,4,5)P 4 [1.8 μM]. In displacement of [ 3 H] Ins(1,4,5)P 3 from the rat cerebellar Ins(1,4,5)P 3 receptor, while slightly weaker [IC 50 =800 nM] than that of D-Ins(1,3,4,5)P 4 [IC 50 =220 nM], 3 is less markedly different and again similar to that of L-Ins(1,3,4,5)P 4 [IC 50 =660 nM]. 3 is an activator of I CRAC when inward currents are measured in RBL-2H3-M1 cells using patch-clamp electrophysiological techniques with a facilitation curve different to that of Ins(1,3,4,5)P 4 . Physicochemical properties were studied by potentiometric 31 P and 1 H NMR titrations and were similar to those of Ins(1,3,4,5)P 4 apart from the observation of a biphasic titration curve for the P1 phosphate group. A novel vicinal phosphate charge-induced conformational change of the inositol ring above pH 10 was observed for D-6-deoxy-Ins(1,3,4,5)P 4 that would normally be hindered because of the central stabilising role played by the 6-OH group in Ins(1,3,4,5)P 4 . We conclude that the 6-OH group in Ins(1,3,4,5)P 4 is crucial for its physicochemical behaviour and biological properties of this key inositol phosphate

Electronic structure of the actinide-Rh3 systems and the 5f localization in UPd3

DEFF Research Database (Denmark)

Eriksson, Olle; Johansson, Börje; Brooks, M. S. S.

1989-01-01

We present electronic-structure calculations for the isostructural (AuCu3-structure) series of intermetallic compounds ARh3 (A=Ac, Th, Pa, U, Np, Pu, Am, and Cm). The calculations were performed using both the scalar relativistic and the fully relativistic linear muffin-tin orbital (LMTO) method........ The localization of the 5f electrons in UPd3 as opposed to the itinerant 5f behavior for the earlier compounds (UMo3, UTc3 , URu3, and URh3) is explained in terms of the variation of the hybridization between 5f and ligand 4d states through the series....

2-[(3,5-Dimethyl-1-phenyl-1H-pyrazol-4-ylmethylene]indane-1,3-dione

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Abdullah M. Asiri

2011-02-01

Full Text Available The title compound 2-[(3,5-dimethyl-1-phenyl-1H-pyrazol-4-ylmethylene]-indane-1,3-dione (3 was synthesized in high yield by reaction of 3,5-dimethyl-1-phenyl-pyrazole-4-carbaldehyde and indane-1,3-dione in ethanol in the presence of pyridine. The structure of this new compound was confirmed by elemental analysis, IR, 1H NMR, 13C NMR and GC-MS spectral analysis.

DOG -II input generator program for DOT3.5 code

International Nuclear Information System (INIS)

Hayashi, Katsumi; Handa, Hiroyuki; Yamada, Koubun; Kamogawa, Susumu; Takatsu, Hideyuki; Koizumi, Kouichi; Seki, Yasushi

1992-01-01

DOT3.5 is widely used for radiation transport analysis of fission reactors, fusion experimental facilities and particle accelerators. We developed the input generator program for DOT3.5 code in aim to prepare input data effectively. Formar program DOG was developed and used internally in Hitachi Engineering Company. In this new version DOG-II, limitation for R-Θ geometry was removed. All the input data is created by interactive method in front of color display without using DOT3.5 manual. Also the geometry related input are easily created without calculation of precise curved mesh point. By using DOG-II, reliable input data for DOT3.5 code is obtained easily and quickly

Semiconductor Ceramic Mn0.5Fe1.5O3-Fe2O3 from Natural Minerals as Ethanol Gas Sensors

Science.gov (United States)

Aliah, H.; Syarif, D. G.; Iman, R. N.; Sawitri, A.; Sanjaya WS, M.; Nurul Subkhi, M.; Pitriana, P.

2018-05-01

In this research, Mn and Fe-based ceramic gas sensing were fabricated and characterized. This research used natural mineral which is widely available in Indonesia and intended to observe the characteristics of Mn and Fe-based semiconducting material. Fabricating process of the thick films started by synthesizing the ceramic powder of Fe(OH)3 and Mn oxide material using the precipitation method. The deposition from precipitation method previously was calcined at a temperature of 800 °C to produce nanoparticle powder. Nanoparticle powder that contains Mn and Fe oxide was mixed with an organic vehicle (OV) to produce a paste. Then, the paste was layered on the alumina substrate by using the screen printing method. XRD method was utilized to characterize the thick film crystal structure that has been produced. XRD spectra showed that the ceramic layer was formed from the solid Mn0.5Fe1.5O3 (bixbyite) and Fe2O3. In addition, the electrical properties (resistance) examination was held in the room that contains air and ethanol to determine the sensor sensitivity of ethanol gas. The sensor resistance decreases as the ethanol gas was added, showing that the sensor was sensitive to ethanol gas and an n-type semiconductor. Gas sensor exhibit sensitive characterization of ethanol gas on the concentration of (100 to 300) ppm at a temperature of (150 to 200) °C. This showed that the Mn0.5Fe1.5O3-Fe2O3 ceramic semiconductor could be utilized as the ethanol gas detector.

Directed Evolution of Carbonyl Reductase from Rhodosporidium toruloides and Its Application in Stereoselective Synthesis of tert-Butyl (3R,5S)-6-Chloro-3,5-dihydroxyhexanoate.

Science.gov (United States)

Liu, Zhi-Qiang; Wu, Lin; Zhang, Xiao-Jian; Xue, Ya-Ping; Zheng, Yu-Guo

2017-05-10

tert-Butyl (3R,5S)-6-chloro-3,5-dihydroxyhexanoate ((3R,5S)-CDHH) is a key intermediate of atorvastatin and rosuvastatin synthesis. Carbonyl reductase RtSCR9 from Rhodosporidium toruloides exhibited excellent activity toward tert-butyl (S)-6-chloro-5-hydroxy-3-oxohexanoate ((S)-CHOH). For the activity of RtSCR9 to be improved, random mutagenesis and site-saturation mutagenesis were performed. Three positive mutants were obtained (mut-Gln95Asp, mut-Ile144Lys, and mut-Phe156Gln). These mutants exhibited 1.94-, 3.03-, and 1.61-fold and 1.93-, 3.15-, and 1.97-fold improvement in the specific activity and k cat /K m , respectively. Asymmetric reduction of (S)-CHOH by mut-Ile144Lys coupled with glucose dehydrogenase was conducted. The yield and enantiomeric excess of (3R,5S)-CDHH reached 98 and 99%, respectively, after 8 h bioconversion in a single batch reaction with 1 M (S)-CHOH, and the space-time yield reached 542.83 mmol L -1 h -1 g -1 wet cell weight. This study presents a new carbonyl reductase for efficient synthesis of (3R,5S)-CDHH.

Roles of Cu in the Enhanced Thermoelectric Properties in Bi0.5Sb1.5Te3

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Feng Hao

2017-03-01

Full Text Available Recently, Cu-containing p-type Bi0.5Sb1.5Te3 materials have shown high thermoelectric performances and promising prospects for practical application in low-grade waste heat recovery. However, the position of Cu in Bi0.5Sb1.5Te3 is controversial, and the roles of Cu in the enhancement of thermoelectric performance are still not clear. In this study, via defects analysis and stability test, the possibility of Cu intercalation in p-type Bi0.5Sb1.5Te3 materials has been excluded, and the position of Cu is identified as doping at the Sb sites. Additionally, the effects of Cu dopants on the electrical and thermal transport properties have been systematically investigated. Besides introducing additional holes, Cu dopants can also significantly enhance the carrier mobility by decreasing the Debye screen length and weakening the interaction between carriers and phonons. Meanwhile, the Cu dopants interrupt the periodicity of lattice vibration and bring stronger anharmonicity, leading to extremely low lattice thermal conductivity. Combining the suppression on the intrinsic excitation, a high thermoelectric performance—with a maximum thermoelectric figure of merit of around 1.4 at 430 K—has been achieved in Cu0.005Bi0.5Sb1.495Te3, which is 70% higher than the Bi0.5Sb1.5Te3 matrix.

X-ray and NQR studies of bromoindate(III) complexes. [C2H5NH3]4InBr7, [C(NH2)3]3InBr6, and [H3NCH2C(CH3)2CH2NH3]InBr5

International Nuclear Information System (INIS)

Iwakiri, Takeharu; Ishihara, Hideta; Terao, Hiromitsu; Lork, Enno; Gesing, Thorsten M.

2017-01-01

The crystal structures of [C 2 H 5 NH 3 ] 4 InBr 7 (1), [C(NH 2 ) 3 ] 3 InBr 6 (2), and [H 3 NCH 2 C(CH 3 ) 2 CH 2 NH 3 ]InBr 5 (3) were determined at 100(2) K: monoclinic, P2 1 /n, a=1061.94(3), b=1186.40(4), c=2007.88(7) pm, β= 104.575(1) , Z=4 for 1; monoclinic, C2/c, a=3128.81(12), b=878.42(3), c=2816.50(10) pm, β=92.1320(10) , Z=16 for 2; orthorhombic, P2 1 2 1 2 1 , a=1250.33(5), b=1391.46(6), c=2503.22(9) pm, Z=4 for 3. The structure of 1 contains an isolated octahedral [InBr 6 ] 3- ion and a Br - ion. The structure of 2 contains three different isolated octahedral [InBr 6 ] 3- ions. The structure of 3 has a corner-shared double-octahedral [In 2 Br 11 ] 5- ion and an isolated tetrahedral [InBr 4 ] - ion. The 81 Br nuclear quadrupole resonance (NQR) lines of the terminal Br atoms of the compounds are widely spread in frequency, and some of them show unusual positive temperature dependence. These observations manifest the N-H..Br-In hydrogen bond networks developed between the cations and anions to stabilize the crystal structures. The 81 Br NQR and differential thermal analysis (DTA) measurements have revealed the occurrence of unique phase transitions in 1 and 3. When the bond angles were estimated from the electric field gradient (EFG) directions calculated by the molecular orbital (MO) methods, accurate values were obtained for [InBr 6 ] 3- of 1 and for [In 2 Br 11 ] 5- and [InBr 4 ] - of 3, except for several exceptions in those for the latter two ions. On the other hand, the calculations of 81 Br NQR frequencies have produced up to 1.4 times higher values than the observed ones.

La5M3X (M=Sn, Bi; X=Cl, Br, I): exploring the limit of the Mn5Si3-type hosting lattice

International Nuclear Information System (INIS)

Zheng Chong; Mattausch, Hansjuergen; Simon, Arndt

2002-01-01

Three new compounds add to the family of the Mn 5 Si 3 type host-guest lattice. These are La 5 Sn 3 X (X=Cl, Br, I) synthesized from stoichiometric mixtures of La, LaX 3 and Sn heated under Ar atmosphere in sealed Ta ampoules at 850-990 deg. C for 13-62 days. La 5 Sn 3 X crystallize in the space group P6 3 /mcm (No. 193) with lattice parameters a=9.603(1) A, 9.637(1) A and 9.673(1) A; c=6.890(1) A, 6.931(1) A and 6.987(1) A, respectively, for X=Cl, Br and I. Computational analysis using both the extended Hueckel and the local density functional methods showed that the Sn and La site acts as electron reservoir, providing electrons to the interstitials as necessary. This gives rise to a metallic behavior. Susceptibility and conductivity measurements confirmed these predictions. The single crystal structure of La 5 Bi 3 Br is also reported

Reactions of 5-Aroylmethylene-3-benzyl-4-oxo-2-thioxo-1,3-thiazolidines with Nitrile Oxides

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Ahmed S. A. Youssef

2001-05-01

Full Text Available E,Z-5-Aroylmethylene-3-benzyl-4-oxo-2-thioxo-1,3-thiazolidines (3a-c react with 4-methoxy and 4-chlorophenylnitrile oxides (4a and b in pyridine solution to afford one or more of the following compounds: Z-3, Z-2,4-dioxo analogues 5 and 3,6-diaryl-1,4,2,5-dioxadiazines (6a-b. The interconversion route is discussed and the structures of all of the synthesised compounds are proven by microanalytical and spectral data.

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

Science.gov (United States)

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

2013-06-01

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

Observation of divergent La3+ ion dilute effect in two series of 3-D fluorescent lanthanide-MOFs-based molecular alloys RExLa1−x–EBTC (RE3+=Eu3+ or Tb3+; EBTC4−=1,1′-ethynebenzene-3,3′,5,5′-etracarboxylate)

International Nuclear Information System (INIS)

Zhai, Lu; Zhang, Wen-Wei; Ren, Xiao-Ming; Zuo, Jing-Lin

2015-01-01

The lanthanide metal-organic frameworks (MOFs) [Ln 2 (EBTC) 1.5 (CH 3 OH) 4 ]·6H 2 O are isostructural to each other, where EBTC 4− =1,1′-ethynebenzene-3,3′,5,5′-tetracarboxylate; Ln 3+ =La 3+ , Eu 3+ and Tb 3+ ; and the corresponding MOF is abbreviated as Ln–EBTC. MOFs Eu–EBTC and Tb–EBTC emit intense red and green luminescence (visible by bare eyes), respectively. The molecular alloys of Eu x La 1−x –EBTC and Tb x La 1−x –EBTC have been successfully prepared by mixing Eu 3+ /Tb 3+ and La 3+ salts with the desired molar ratio in the starting material. Two series of Eu x La 1−x –EBTC and Tb x La 1−x –EBTC molecular alloys are isomorphic to the parent Ln–EBTC MOFs, while exhibit divergent La 3+ ion diluting effect, namely, with increasing the relative amount of La 3+ , the intensity of characteristic emission arising from Tb 3+ ion monotonely increases in Tb x La 1−x –EBTC molecular alloys, whereas that of Eu 3+ ion shows non-monotone decrease in Eu x La 1−x –EBTC molecular alloys. The possible origin is discussed for such a divergent behavior between Eu x La 1−x –EBTC and Tb x La 1−x –EBTC molecular alloys. - Graphical abstract: Two series of 3-D fluorescent lanthanide-MOFs-based molecular alloys RE x La 1−x –EBTC (RE 3+ =Eu 3+ or Tb 3+ ; EBTC 4− =1,1′-ethynebenzene-3,3′,5,5′-tetracarboxylate) have been successfully prepared by mixing Eu 3+ /Tb 3+ and La 3+ salts with the desired molar ratio in the starting material and showed photoluminescence property with divergent La 3+ ion dilute effect. - Highlights: • 3-D molecular alloys of Eu x La 1−x –EBTC and Tb x La 1−x –EBTC were prepared. • They are isomorphic to the parent Ln–EBTC MOFs. • They show photoluminescence property with divergent La 3+ ion diluting effect. • The possible origin is discussed for such a divergent behavior

Correction to: Comparing the UK EQ-5D-3L and English EQ-5D-5L Value Sets

NARCIS (Netherlands)

B. Mulhern (Brendan); Feng, Y. (Yan); K.K. Shah (Koonal); M.F. Janssen (Bas); M. Herdman (Michael); van Hout, B. (Ben); N. Devlin (Nancy)

2018-01-01

textabstractThe article Comparing the UK EQ-5D-3L and English EQ-5D-5L Value Sets, written by Brendan Mulhern, Yan Feng, Koonal Shah, Mathieu F. Janssen, Michael Herdman, Ben van Hout, Nancy Devlin was originally published electronically on the publisher’s internet portal (currently SpringerLink) on

Synthesis of some novel 4-aza-tricyclo[5.2.2.0 2,6 ]undecane-3,5,8-triones from 2-trimethylsilyloxy-1,3-cyclohexadiene and 1-methoxy-1,3-cyclohexadiene

Directory of Open Access Journals (Sweden)

Hosapalya Thimmaiah Srinivasa

2012-01-01

Full Text Available The synthesis and characterization of nine novel Diels-Alder cycloadducts: the 4-aza-tricyclo[5.2.2.0 2,6] undecane-3,5,8-triones using 2-trimethylsilyloxy-1,3-cyclohexadiene and 1-methoxy-1,3-cyclohexadiene is reported. The isolated yields of the pure cycloadducts range between 75 to 95%.

Mapping MOS-HIV to HUI3 and EQ-5D-3L in Patients With HIV

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Vilija R. Joyce MS

2017-07-01

Full Text Available Objectives: The Medical Outcomes Study HIV Health Survey (MOS-HIV is frequently used in HIV clinical trials; however, scores generated from the MOS-HIV are not suited for cost-effectiveness analyses as they do not assign utility values to health states. Our objective was to estimate and externally validate several mapping algorithms to predict Health Utilities Index Mark 3 (HUI3 and EQ-5D-3L utility values from the MOS-HIV. Methods: We developed and validated mapping algorithms using data from two HIV clinical trials. Data from the first trial (n = 367 formed the estimation data set for the HUI3 (4,610 observations and EQ-5D-3L (4,662 observations mapping algorithms; data from the second trial (n = 168 formed the HUI3 (1,135 observations and EQ-5D-3L (1,152 observations external validation data set. We compared ordinary least squares (OLS models of increasing complexity with the more flexible two-part, beta regression, and finite mixture models. We assessed model performance using mean absolute error (MAE and mean squared error (MSE. Results: The OLS model that used MOS-HIV dimension scores along with squared terms gave the best HUI3 predictions (mean observed 0.84; mean predicted 0.80; MAE 0.0961; the finite mixture model gave the best EQ-5D-3L predictions (mean observed 0.90; mean predicted 0.88; MAE 0.0567. All models produced higher prediction errors at the lower end of the HUI3 and EQ-5D-3L score ranges (<0.40. Conclusions: The proposed mapping algorithms can be used to predict HUI3 and EQ-5D-3L utility values from the MOS-HIV, although greater error may pose a problem in samples where a substantial proportion of patients are in poor health. These algorithms may be useful for estimating utility values from the MOS-HIV for cost-effectiveness studies when HUI3 or EQ-5D-3L data are not available.

14 CFR 3.5 - Statements about products, parts, appliances and materials.

Science.gov (United States)

2010-01-01

..., appliances and materials. 3.5 Section 3.5 Aeronautics and Space FEDERAL AVIATION ADMINISTRATION, DEPARTMENT OF TRANSPORTATION DEFINITIONS GENERAL REQUIREMENTS § 3.5 Statements about products, parts, appliances... product, part, appliance or material. (b) Prohibition against fraudulent and intentionally false...

7,7′-(3,3′-Dibenzyl-3H,3′H-4,4′-bi-1,2,3-triazole-5,5′-diylbis(4-methyl-2H-chromen-2-one

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Michael J. Ferguson

2008-10-01

Full Text Available The title compound, a bis-5,5′-triazole, C38H28N6O4, was observed as a side-product from the Sharpless–Meldal click reaction of the corresponding coumarin alkyne and benzylazide. Although the compound was present as a minor component, it crystallized in preference to the major product. The two triazole rings are almost orthogonal to each other [dihedral angle = 83.8 (1°]. However the 4 and 4′ coumarin systems are close to coplanar with their respective triazole rings [23.6 (1 and 15.1 (1°]. Each of the benzene rings packs approximately face-to-face with the opposing coumarin ring systems, with interplanar angles of 7.7 (1 and 25.3 (1° and distances of 3.567 (2 and 3.929 (2 Å between the respective centroids of the opposing rings.

3,5-Diiodo-L-thyronine (3,5-t2) exerts thyromimetic effects on hypothalamus-pituitary-thyroid axis, body composition, and energy metabolism in male diet-induced obese mice.

Science.gov (United States)

Jonas, Wenke; Lietzow, Julika; Wohlgemuth, Franziska; Hoefig, Carolin S; Wiedmer, Petra; Schweizer, Ulrich; Köhrle, Josef; Schürmann, Annette

2015-01-01

Effective and safe antiobesity drugs are still needed in face of the obesity pandemic worldwide. Recent interventions in rodents revealed 3,5-diiodo-L-thyronine (3,5-T2) as a metabolically active iodothyronine affecting energy and lipid metabolism without thyromimetic side effects typically associated with T3 administration. Accordingly, 3,5-T2 has been proposed as a potential hypolipidemic agent for treatment of obesity and hepatic steatosis. In contrast to other observations, our experiments revealed dose-dependent thyromimetic effects of 3,5-T2 akin to those of T3 in diet-induced obese male C57BL/6J mice. 3,5-T2 treatment exerted a negative feedback regulation on the hypothalamus-pituitary-thyroid axis, similar to T3. This is demonstrated by decreased expression of genes responsive to thyroid hormones (TH) in pituitary resulting in a suppressed thyroid function with lower T4 and T3 concentrations in serum and liver of 3,5-T2-treated mice. Analyses of hepatic TH target genes involved in lipid metabolism revealed T3-like changes in gene expression and increased type I-deiodinase activity after application of 3,5-T2 (2.5 μg/g body weight). Reduced hepatic triglyceride and serum cholesterol concentrations reflected enhanced lipid metabolism. Desired increased metabolic rate and reduction of different fat depots were, however, compromised by increased food intake preventing significant body weight loss. Moreover, enlarged heart weights indicate potential cardiac side effects of 3,5-T2 beyond hepatic thyromimetic actions. Altogether, the observed thyromimetic effects of 3,5-T2 in several mouse TH target tissues raise concern about indiscriminate administration of 3,5-T2 as powerful natural hormone for the treatment of hyperlipidemia and pandemic obesity.

Synthesis and luminescence characterization of Pr3+ doped Sr1.5Ca0.5SiO4 phosphor

Science.gov (United States)

Vidyadharan, Viji; Mani, Kamal P.; Sajna, M. S.; Joseph, Cyriac; Unnikrishnan, N. V.; Biju, P. R.

2014-12-01

Luminescence properties of Pr3+ activated Sr1.5Ca0.5SiO4 phosphors synthesized by solid state reaction method are reported in this work. Blue, orange red and red emissions were observed in the Pr3+ doped sample under 444 nm excitation and these emissions are assigned as 3P0 → 3H4, 3P0 → 3H6 and 3P0 → 3F4 transitions. The emission intensity shows a maximum corresponding to the 0.5 wt% Pr3+ ion. The decay analysis was done for 0.05 and 0.5 wt% Pr3+ doped samples for the transition 3P0 → 3H6. The life times of 0.05 and 0.5 wt% Pr3+ doped samples were calculated by fitting to exponential and non-exponential curve respectively, and are found to be 156 and 105 μs respectively. The non-exponential behaviour arises due to the statistical distribution of the distances between the ground state Pr3+ ions and excited state Pr3+ ions, which cause the inhomogeneous energy transfer rate. The XRD spectrum confirmed the triclinic phase of the prepared phosphors. The compositions of the samples were determined by the energy dispersive X-ray spectra. From the SEM images it is observed that the particles are agglomerated and are irregularly shaped. IR absorption bands were assigned to different vibrational modes. The well resolved peaks shown in the absorption spectra are identical to the excitation spectra of the phosphor samples. Pr3+ activated Sr1.5Ca0.5SiO4 phosphors can be efficiently excited with 444 nm irradiation and emit multicolour visible emissions. From the CIE diagram it can be seen that the prepared phosphor samples give yellowish-green emission.

Fundamental absorption edge in CuIn5Se8 and CuGa3Se5 single crystals

International Nuclear Information System (INIS)

Leon, M.; Merino, J.M.; Levcenko, S.; Nateprov, A.; Tezlevan, V.; Arushanov, E.; Syrbu, N.N.

2006-01-01

Optical absorption spectra of CuIn 5 Se 8 and CuGa 3 Se 5 single crystals have been investigated. The energy gap E g for CuIn 5 Se 8 (CuGa 3 Se 5 ) was found to be varied from 1.27(1.79) to 1.21(1.71) eV in the temperature range between 10 and 300 K. The temperature dependence of E g was studied by means of the Einstein model and the Paessler model. The Einstein temperature {222(267)K}, the Debye temperature {310(380)K}, a dimensionless constant related to the electron-phonon coupling {1.62(2.65)} as well as an effective energy {20 (24) meV} and a cut-off phonon energy {35(39) meV} have been estimated for CuIn 5 Se 8 (CuGa 3 Se 5 ). It was also found that the major contribution of phonons to the shift of E g versus temperature in CuIn 5 Se 8 (CuGa 3 Se 5 ) is mainly from optical phonons. (copyright 2006 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim) (Abstract Copyright [2006], Wiley Periodicals, Inc.)

Synthesis, spectral and antimicrobial activity of [3-(4-chloro-phenoxy-2,4-diisopropyl-2,3,4,5-tetrahydro-1H-3l5-benzo[e][1,3,2]diazaphosphepin-3-ylidene]-alkyl-amine

Directory of Open Access Journals (Sweden)

R. Usha Nagalakshmi

2009-11-01

Full Text Available 3-(4-chlorophenoxy-2,4-diisopropyl-2,3,4,5-tetrahydro-1H-benzo[e][1,3,2]diaza-phosphepine was synthesized starting from 1,2-bis(bromomethylbenzene by reacting with 2 equimolar isopropyl amine, one equimolar PBr3 and then one equimolar 4-chlorophenol, respectively. The Staudinger reaction of the diazaphphosphine with a series of alkyl azides gave the corresponding iminophosphoranes. Antibacterial activities of the synthesized iminophosphoranes were screened

2-Amino-3-(3-hydroxy-1,2,5-thiadiazol-4-yl)propionic acid

DEFF Research Database (Denmark)

Johansen, Tommy N; Janin, Yves L; Nielsen, Birgitte

2002-01-01

In order to identify new subtype-selective (S)-glutamate (Glu) receptor ligands we have synthesized (RS)-2-amino-3-(3-hydroxy-1,2,5-thiadiazol-4-yl)propionic acid [(RS)-TDPA]. Resolution of (RS)-TDPA by chiral chromatography was performed using a Crownpac CR(+) column affording (R)- and (S......)-TDPA of high enantiomeric purity (enantiomeric excess=99.9%). An X-ray crystallographic analysis revealed that the early eluting enantiomer has R-configuration. Both enantiomers showed high affinity as well as high agonist activity at (RS)-2-amino-3-(3-hydroxy-5-methylisoxazol-4-yl)propionic acid (AMPA...... a remarkably low AMPA receptor stereoselectivity, (S)-TDPA showing the highest affinity and (R)-TDPA the most potent agonist activity. In addition, (S)-TDPA was shown to interact with synaptosomal Glu uptake sites displacing [(3)H](R)-aspartic acid (IC(50 ) approximately 390 microM). An enantiospecific...

Ethyl 2-[(5Z-5-(4-methoxybenzylidene-2,4-dioxo-1,3-thiazolidin-3-yl]acetate

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Hamza Tachallait

2016-07-01

Full Text Available In the title compound, C15H15NO5S, the benzene and heterocyclic rings are close to being coplanar [dihedral angle = 1.49 (6°]. In the crystal, pairwise C—H...O hydrogen bonds form dimers, which are arranged into `stair-step' rows by way of C=O–π interactions between a carbonyl group and the benzene ring [O...π = 3.3837 (12 Å].

Synthesis, DNA binding and cytotoxic activity of pyrimido[4',5':4,5]thieno(2,3-b)quinoline with 9-hydroxy-4-(3-diethylaminopropylamino) and 8-methoxy-4-(3-diethylaminopropylamino) substitutions.

Science.gov (United States)

KiranKumar, Hulihalli N; RohitKumar, Heggodu G; Advirao, Gopal M

2018-01-01

Two new derivatives of pyrimido[4',5';4,5]thieno(2,3-b)quinoline (PTQ), 9-hydroxy-4-(3-diethylaminopropylamino)pyrimido[4',5';4,5]thieno(2,3-b)quinoline (Hydroxy-DPTQ) and 8-methoxy-4-(3-diethylaminopropylamino)pyrimido[4',5';4,5]thieno(2,3-b)quinoline (Methoxy-DPTQ) were synthesized and their DNA binding ability was analyzed using spectroscopy (UV-visible, fluorescence and circular dichroism), ethidium bromide dye displacement assay, melting temperature (T m ) analysis and computational docking studies. The hypochromism in UV-visible spectrum and increased fluorescence emission of Hydroxy-DPTQ and Methoxy-DPTQ in the presence of DNA suggested the molecule-DNA interaction. The association constants calculated from UV-visible and spectral titrations were of the order 10 4 to 10 6 M -1 . Circular dichroism studies corroborated the induced conformational changes in DNA upon addition of molecules. The change in the ellipticity was observed both in negative and positive peak of DNA, thus, suggesting the intercalation of molecules. The observed displacement of ethidium bromide from the DNA and increased T m , upon addition of DNA confirmed the intercalative mode of binding. This was further validated by computational docking, which showed clear intercalation of molecules into the d(GpC)-d(CpG) site of the receptor DNA. Anticancer activities of these molecules are evaluated by using MTT assay. Both molecules showed antiproliferative activity against all the three cancer cells studied, with Hydroxy-DPTQ being more potential molecule among the two. IC 50 value of Hydroxy-DPTQ and Methoxy-DPTQ were in the range of 3-5μM and 130-250μM, respectively. Copyright © 2017 Elsevier B.V. All rights reserved.

RBMK fuel channel blockage analysis by MCNP5, DRAGON and RELAP5-3D codes

International Nuclear Information System (INIS)

Parisi, C.; D'Auria, F.

2007-01-01

The aim of this work was to perform precise criticality analyses by Monte-Carlo code MCNP5 for a Fuel Channel (FC) flow blockage accident, considering as calculation domain a single FC and a 3x3 lattice of RBMK cells. Boundary conditions for MCNP5 input were derived by a previous transient calculation by state-of-the-art codes HELIOS/RELAP5-3D. In a preliminary phase, suitable MCNP5 models of a single cell and of a small lattice of RBMK cells were set-up; criticality analyses were performed at reference conditions for 2.0% and 2.4% enriched fuel. These analyses were compared with results obtained by University of Pisa (UNIPI) using deterministic transport code DRAGON and with results obtained by NIKIET Institute using MCNP4C. Then, the changes of the main physical parameters (e.g. fuel and water/steam temperature, water density, graphite temperature) at different time intervals of the FC blockage transient were evaluated by a RELAP5-3D calculation. This information was used to set up further MCNP5 inputs. Criticality analyses were performed for different systems (single channel and lattice) at those transient' states, obtaining global criticality versus transient time. Finally the weight of each parameter's change (fuel overheating and channel voiding) on global criticality was assessed. The results showed that reactivity of a blocked FC is always negative; nevertheless, when considering the effect of neighboring channels, the global reactivity trend reverts, becoming slightly positive or not changing at all, depending in inverse relation to the fuel enrichment. (author)

INVIVO DISTRIBUTION AND ANTITUMOR-ACTIVITY OF LIPOSOMAL 3',5'-O-DIPALMITOYL-5-FLUORO-2'-DEOXYURIDINE

NARCIS (Netherlands)

WAALKES, MV; FICHTNER, [No Value; DONTJE, B; LEMM, M; BECKER, M; ARNDT, D; SCHERPHOF, GL

1992-01-01

3',5'-O-dipalmitoyl-5-fluoro-2'-deoxyuridine (FUdR-dipalmitate), a lipophilic prodrug of 5-fluoro-2'-deoxyuridine (FUdR), was incorporated in different types of liposomes. The in vivo distribution and intrahepatic deacylation of liposomal FUdR-dipalmitate was found to be strongly dependent on

Improved ferroelectric and photoluminescence properties in Pr3+ substituted Na0.5Bi0.5TiO3 synthesized using hydrothermal route

Science.gov (United States)

Goutham, Cilaveni; Kandula, Kumara Raja; Raavi, Sai Santhosh Kumar; Asthana, Saket

2018-04-01

Nanocrystalline Pr3+ substituted NBT was synthesized using hydrothermal technique. Pr3+ modifies the ferroelectric NBT optically active and enhances the electrical properties with small structural changes. Aiming to the development of the bottom up optoelectronic devices this optimized nanoscale Na0.5Bi0.5-xPrxTiO3(x = 0.005) compound is synthesized hydrothermally. X-ray diffraction pattern shows that the system is stabilized in the Rhombohedral (space groupR3c) phase indicating the local strain inhomogeneity. PE loop shows that there is a decrement in the Ec value compared with compounds synthesized using conventional methods. The strong red emission assigned to prominent transition of the Pr3+ ions at 610nm was observed along with weak blue-green emission, indicating the potential use of the system. Energy transfer from host system to Pr3+ ions is responsible for red emission while blue green emission is due to quenching of 3P0 induced by intervalence charge transfer state.

Radioprotective action of 3-(imidazoline-2-alkyl)-5-methoxyindoles

International Nuclear Information System (INIS)

Bitny-Szlachto, S.; Kwiek, S.; Piotrowska, H.; Serafin, B.; Wejroch-Matacz, K.

1977-01-01

Radioprotective action in mice of four 3-(imidazoline-2'-alkyl)-5-methoxyindoles was examined and compared with that of 3-(2'-aminoethyl)-5-hydroxyindole (serotonine). The imidazoline-2-methyl derivatives (S 3 , S 4 ), applied in doses of 50 μmole/kg 10 min prior to irrdiation were found to reduce mortality of mice with LD 50 DRF of 1.14-1.15, while serotonine displayed DRF of 1.45. The imidazoline-2-ethyl derivatives (S 7 , S 8 ) have turned out to be ineffective. (author)

1,4-Dimethyl-3-phenyl-3H-pyrazolo[3,4-c]isoquinolin-5(4H-one

Directory of Open Access Journals (Sweden)

Giuseppe Daidone

2008-05-01

Full Text Available The title compound, C18H15N3O, is the product of the thermal decomposition of the diazonium salt derived from 2-amino-N-methyl-N-(3-methyl-1-phenyl-1H-pyrazol-5-ylbenzamide. It is characterized by a trans orientation of the methyl groups with respect to the tricyclic ring system. The molecule has a nearly planar phenylpyrazolo[3,4-c]isoquinolin-5-one system, the largest deviation from the mean plane being 0.066 (2 Å for the O atom. The dihedral angle between the phenyl substituent and the heterotricycle is 67 (1°. The packing is stabilized by C—H...N hydrogen-bond interactions, with the formation of molecular chains along the c axis.