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Sample records for 3 2 1

  1. 1,2,3-Trichloropropane

    Integrated Risk Information System (IRIS)

    1,2,3 - Trichloropropane ; CASRN 96 - 18 - 4 Human health assessment information on a chemical substance is included in IRIS only after a comprehensive review of toxicity data by U.S . EPA health scientists from several program offices , regional offices , and the Office of Research and Development

  2. Preparation of 1,1'-dinitro-3,3'-azo-1,2,4-triazole. [1,1'-dinitro-3,3'-azo-1,2,4-triazole

    DOEpatents

    Lee, K.Y.

    1985-03-05

    A new high density composition of matter, 1,1'-dinitro-3,3'-azo-1,2,4-triazole, has been synthesized using inexpensive, commonly available compounds. This compound has been found to be an explosive, and its use as a propellant is anticipated. 1 fig., 1 tab.

  3. 3-2-1 Contact Teacher's Guide.

    ERIC Educational Resources Information Center

    Children's Television Workshop, New York, NY.

    This guide to the television program 3-2-1 Contact covers 20 theme weeks. The program is designed to bring students into closer contact with the science and technology in their everyday lives. This guide includes: (1) a brief introduction to the contents of each week's shows; (2) a detailed discussion of each week's primary concepts as well as…

  4. (Z)-2-(3-hydroxy-4-methoxybenzylidene)-1-azabicyclo[2.2.2]octan-3-one.

    PubMed

    Sonar, Vijayakumar N; Parkin, Sean; Crooks, Peter A

    2003-11-01

    Crystals of the title compound, C(15)H(17)NO(3), were obtained from a condensation reaction of 3-hydroxy-4-methoxybenzaldehyde with 1-azabicyclo[2.2.2]octan-3-one and subsequent crystallization of the product from methanol. The title compound, containing a double bond that connects the azabicyclic ring system to the 3-hydroxy-4-methoxybenzylidene group, was obtained with Z geometry.

  5. 2. INTAKE CHANNEL LOOKING NORTHWEST; GATES 1, 2, AND 3 ...

    Library of Congress Historic Buildings Survey, Historic Engineering Record, Historic Landscapes Survey

    2. INTAKE CHANNEL LOOKING NORTHWEST; GATES 1, 2, AND 3 SHOWING. - Hondius Water Line, 1.6 miles Northwest of Park headquarters building & 1 mile Northwest of Beaver Meadows entrance station, Estes Park, Larimer County, CO

  6. 1,2-Dibromo-3-chloropropane (DBCP)

    Integrated Risk Information System (IRIS)

    1,2 - Dibromo - 3 - chloropropane ( DBCP ) ; CASRN 96 - 12 - 8 Human health assessment information on a chemical substance is included in the IRIS database only after a comprehensive review of toxicity data , as outlined in the IRIS assessment development process . Sections I ( Health Hazard Assessm

  7. 1,2,3-triazolium ionic liquids

    DOEpatents

    Luebke, David; Nulwala, Hunaid; Tang, Chau

    2014-12-09

    The present invention relates to compositions of matter that are ionic liquids, the compositions comprising substituted 1,2,3-triazolium cations combined with any anion. Compositions of the invention should be useful in the separation of gases and, perhaps, as catalysts for many reactions.

  8. Preparation, characterization, and reactions of 3-germabicyclo(3. 2. 1)octane and 2-germabicyclo(2. 2. 1)heptane derivatives

    SciTech Connect

    Sommese, A.G.; Cremer, S.E. ); Campbell, J.A.; Thompson, M.R. )

    1990-06-01

    Ring closure of the bis-Grignard derived from cis-1,3-bis(bromomethyl)cyclopentane (5) on R{sub 2}GeCl{sub 2} (R = Ph or Me) afforded the 3-germabicyclo(3.2.1)octane system 6 or 7. Bromine cleavage of a phenyl group in 3,3-diphenyl-3-germabicyclo(3.2.1)octane (6) and subsequent nucleophilic displacement of the bromide allowed differing substitution on the germanium atom. Crystals of 6 were grown from 95% ethanol and found to crystallize in the orthorhombic space group P{sub na2}C{sub A}2{nu} (No. 33, variation) with Z = 4, a = 7.921 (2) {angstrom}, b = 31.565 (5) {angstrom}, c = 6.530 (2) {angstrom}. The physical and spectral properties of these new molecules are presented.

  9. 40 CFR 721.10435 - Phenol, 2-(1-methyl-1-phenylethyl)-4-(1,1,3,3-tetramethylbutyl)-.

    Code of Federal Regulations, 2013 CFR

    2013-07-01

    ... 40 Protection of Environment 32 2013-07-01 2013-07-01 false Phenol, 2-(1-methyl-1-phenylethyl)-4... Significant New Uses for Specific Chemical Substances § 721.10435 Phenol, 2-(1-methyl-1-phenylethyl)-4-(1,1,3... chemical substance identified as phenol, 2-(1-methyl-1-phenylethyl)-4-(1,1,3,3-tetramethylbutyl)- (PMN...

  10. 40 CFR 721.10435 - Phenol, 2-(1-methyl-1-phenylethyl)-4-(1,1,3,3-tetramethylbutyl)-.

    Code of Federal Regulations, 2014 CFR

    2014-07-01

    ... 40 Protection of Environment 31 2014-07-01 2014-07-01 false Phenol, 2-(1-methyl-1-phenylethyl)-4... Significant New Uses for Specific Chemical Substances § 721.10435 Phenol, 2-(1-methyl-1-phenylethyl)-4-(1,1,3... chemical substance identified as phenol, 2-(1-methyl-1-phenylethyl)-4-(1,1,3,3-tetramethylbutyl)- (PMN...

  11. Fragrance material review on 1-(3,3-dimethylbicyclo[2.2.1]hept-2-yl)ethane-1-one.

    PubMed

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

    2013-12-01

    A toxicologic and dermatologic review of 1-(3,3-dimethylbicyclo[2.2.1]hept-2-yl)ethane-1-one when used as a fragrance ingredient is presented. 1-(3,3-Dimethylbicyclo[2.2.1]hept-2-yl)ethane-1-one is a member of the fragrance structural group Alkyl Cyclic Ketones. These fragrances can be described as being composed of an alkyl, R1, and various substituted and bicyclic saturated or unsaturated cyclic hydrocarbons, R2, in which one of the rings may include up to 12 carbons. Alternatively, R2 may be a carbon bridge of C2-C4 carbon chain length between the ketone and cyclic hydrocarbon. This review contains a detailed summary of all available toxicology and dermatology papers that are related to this individual fragrance ingredient and is not intended as a stand-alone document. Available data for 1-(3,3-dimethylbicyclo[2.2.1]hept-2-yl)ethane-1-one were evaluated then summarized and includes physical properties, skin irritation, mucous membrane (eye) irritation, and skin sensitization data. A safety assessment of the entire Alkyl Cyclic Ketones will be published simultaneously with this document; please refer to Belsito et al. (Belsito, D., Bickers, D., Bruze, M., Calow, P., Dagli, M., Fryer, A.D., Greim, H., Miyachi, Y., Saurat, J.H., Sipes, I.G., 2013. A Toxicologic and Dermatologic Assessment of Alkyl Cyclic Ketones When Used as Fragrance Ingredients (submitted for publication) for an overall assessment of the safe use of this material and all Alkyl Cyclic Ketones in fragrances.

  12. Preparation of 1,1'-dinitro-3,3'-azo-1,2,4-triazole

    DOEpatents

    Lee, Kien-Yin

    1986-01-01

    A new high density composition of matter, 1,1'-dinitro-3,3'-azo-1,2,4-triazole, has been synthesized using inexpensive, commonly available compounds. This compound has been found to be an explosive, and its use as a propellant is anticipated.

  13. Bridged ferrocenes. 11. 2,2'- and 3,3'-trimethylene(1. 1)ferrocenophane

    SciTech Connect

    Singletary, N.J.; Hillman, M.; Dauplaise, H.; Kvick, A.; Kerber, R.C.

    1984-01-01

    The preparation and structural determination of the title compounds are described. The significant features of the structures are the directions of the ring tilts, which play a role in the interactions between the ferrocene units. The redox potentials of these and similar compounds are given and are interpreted according to the structures. The NMR spectra indicate that the (1.1) methylene protons of the 3,3'-bridged derivative interconvert rapidly as they do in the nonbridged parent. The 2,2'-bridged derivative has rigid (1.1) methylenes. 28 references, 4 figures, 9 tables.

  14. (Z)-2-(3-methoxybenzylidene)-1-azabicyclo[2.2.2]octan-3-one.

    PubMed

    Sonar, Vijayakumar N; Parkin, Sean; Crooks, Peter A

    2005-11-01

    The crystal structure of the title compound, C(15)H(17)NO(2), contains two nearly identical but crystallographically independent molecules, each with a double bond connecting an azabicyclic ring system to a 3-methoxybenzylidene moiety. The space group is triclinic P-1. The benzene ring is twisted by 18.44 (5) and 22.35 (4) degrees with respect to the plane of the double bond connected to the azabicyclic ring system for the two molecules. In addition to C-H...pi interactions, molecules are held together in the solid state by van der Waals interactions.

  15. A New Family of Ionic Liquids 1-amino-3-alkyl-1,2,3-Triazolium Nitrates

    NASA Technical Reports Server (NTRS)

    Drake, Greg; Kaplan, Greg; Hall, Leslie; Hawkins, Tommy; Larue, Joann

    2004-01-01

    A new class of ionic liquids based upon 1-amino-3-alkyl-1,2,3-triazolium nitrates (alkyl = methyl, ethyl, n-propyl, 2-propeny1, and n-butyl) have been synthesized and characterized by vibrational spectra, multinuclear NMR, elemental analysis, and DSC studies. A single crystal x-ray study was carried out for 1-amino-3-methyl-1,2,3-triazolium nitrate and the details will be presented.

  16. Short and general procedure for synthesizing cis-1,2-fused 1,3-oxathiolan-, 1,3-oxaselenolan-, and 1,3-oxazolidin-2-imine carbohydrate derivatives.

    PubMed

    Castilla, Javier; Marín, Irene; Matheu, M Isabel; Díaz, Yolanda; Castillón, Sergio

    2010-01-15

    Novel cis-1,2-fused 1,3-oxathiolan-, 1,3-oxaselenolan-, and 1,3-oxazolidin-2-imine carbohydrate derivatives have been prepared by treatment of the corresponding 1,2-anhydrosugars with potassium thiocyanate, potassium selenocyanate, and sodium cyanamide, respectively. The procedure is compatible with several protecting groups such as acyl, benzyl, and silyl and also with sugars of different configurations.

  17. 1,3-Bis[2-(2-oxo-1,3-oxazolidin-3-yl)eth­yl]-1H-benzimidazol-2(3H)-one

    PubMed Central

    Ouzidan, Younes; Kandri Rodi, Youssef; Fronczek, Frank R.; Venkatraman, Ramaiyer; El Ammari, Lahcen; Essassi, El Mokhtar

    2011-01-01

    The mol­ecular structure of the title compound, C17H20N4O5, contains a central fused-ring system, comprised of six- and five-membered rings. This unit is linked by C2 chains to two 2-oxo-1,3-oxazolidine five-membered rings. The central fused-ring system is essentially planar, with a maximum deviation of 0.008 (1) Å from the mean plane. Both oxazolidine five-membered rings are also nearly planar, with maximum deviations of 0.090 (1) and 0.141 (1) Å. PMID:21523041

  18. rac-(Z)-2-(2-Thienylmethylene)-1-azabicyclo[2.2.2]octan-3-ol.

    PubMed

    Sonar, Vijayakumar N; Venkatraj, M; Parkin, Sean; Crooks, Peter A

    2007-08-01

    The asymmetric unit of the racemic form of the title compound, C(12)H(15)NOS, contains four crystallographically independent molecules. The olefinic bond connecting the 2-thienyl and 1-azabicyclo[2.2.2]octan-3-ol moieties has Z geometry. Strong hydrogen bonding occurs in a directed co-operative O-H...O-H...O-H...O-H R(4)(4)(8) pattern that influences the conformation of the molecules. Co-operative C-H...pi interactions between thienyl rings are also present. The average dihedral angle between adjacent thienyl rings is 87.09 (4) degrees.

  19. 75 FR 910 - Airworthiness Directives; General Electric Company CF34-1A, -3A, -3A1, -3A2, -3B, and -3B1...

    Federal Register 2010, 2011, 2012, 2013, 2014

    2010-01-07

    ...-42-AD; Amendment 39-16144; AD 2009-26-09] RIN 2120-AA64 Airworthiness Directives; General Electric... existing airworthiness directive (AD) for General Electric Company (GE) CF34-1A, -3A, -3A1, -3A2, -3B, and... General Electric Company via Lockheed Martin Technology Services, 10525 Chester Road, Suite C,...

  20. Measurement of the 3s1/2-3p3/2 resonance line of sodiumlike Eu52+

    DOE PAGES

    Träbert, E.; Beiersdorfer, P.; Hell, N.; Brown, G. V.

    2015-08-20

    We have measured the 3s1/2-3p3/2 transition in sodiumlike Eu52+ situated at 41.232 Å with an uncertainty of 73 ppm. Our measurement extends previous high-precision measurements into the 56< Z< 78 range of atomic numbers. We also present measurements of 3s1/2-3p3/2 and 3p1/2-3d3/2 transitions in the neighboring magnesiumlike, aluminumlike, and siliconlike europium ions.

  1. 1 CFR 3.2 - Public inspection of documents.

    Code of Federal Regulations, 2012 CFR

    2012-01-01

    ... 1 General Provisions 1 2012-01-01 2012-01-01 false Public inspection of documents. 3.2 Section 3.2 General Provisions ADMINISTRATIVE COMMITTEE OF THE FEDERAL REGISTER GENERAL SERVICES TO THE PUBLIC § 3.2 Public inspection of documents. (a) Documents filed with the Office of the Federal Register pursuant...

  2. 1 CFR 3.2 - Public inspection of documents.

    Code of Federal Regulations, 2013 CFR

    2013-01-01

    ... 1 General Provisions 1 2013-01-01 2012-01-01 true Public inspection of documents. 3.2 Section 3.2 General Provisions ADMINISTRATIVE COMMITTEE OF THE FEDERAL REGISTER GENERAL SERVICES TO THE PUBLIC § 3.2 Public inspection of documents. (a) Documents filed with the Office of the Federal Register pursuant...

  3. 1 CFR 3.2 - Public inspection of documents.

    Code of Federal Regulations, 2014 CFR

    2014-01-01

    ... 1 General Provisions 1 2014-01-01 2012-01-01 true Public inspection of documents. 3.2 Section 3.2 General Provisions ADMINISTRATIVE COMMITTEE OF THE FEDERAL REGISTER GENERAL SERVICES TO THE PUBLIC § 3.2 Public inspection of documents. (a) Documents filed with the Office of the Federal Register pursuant...

  4. 1 CFR 3.2 - Public inspection of documents.

    Code of Federal Regulations, 2010 CFR

    2010-01-01

    ... 1 General Provisions 1 2010-01-01 2010-01-01 false Public inspection of documents. 3.2 Section 3.2 General Provisions ADMINISTRATIVE COMMITTEE OF THE FEDERAL REGISTER GENERAL SERVICES TO THE PUBLIC § 3.2 Public inspection of documents. (a) Documents filed with the Office of the Federal Register pursuant...

  5. 1 CFR 3.2 - Public inspection of documents.

    Code of Federal Regulations, 2011 CFR

    2011-01-01

    ... 1 General Provisions 1 2011-01-01 2011-01-01 false Public inspection of documents. 3.2 Section 3.2 General Provisions ADMINISTRATIVE COMMITTEE OF THE FEDERAL REGISTER GENERAL SERVICES TO THE PUBLIC § 3.2 Public inspection of documents. (a) Documents filed with the Office of the Federal Register pursuant...

  6. 1-Benzyl-4-(naphthalen-1-yl)-1H-1,2,3-triazole

    PubMed Central

    Sarmiento-Sánchez, Juan I.; Aguirre, Gerardo; Rivero, Ignacio A.

    2011-01-01

    In the title compound, C19H15N3, the benzyl group is almost perpendicular to the triazole ring [dihedral angle = 80.64 (8)°], while the napthyl group makes an angle of 30.27 (12)° with the plane of the triazole ring. This conformation is different from the 1-benzyl-4-phenyl-1H-1,2,3-triazole analogue, which has the benzyl ring system at an angle of 87.94° and the phenyl group at an angle of 3.35° to the plane of the triazole ring. PMID:21837221

  7. 3-Methyl-1-(prop-2-en-1-yl)quinoxalin-2(1H)-one

    PubMed Central

    Ramli, Youssef; Slimani, Rachid; Zouihri, Hafid; Lazar, Saïd; Essassi, E. M.

    2010-01-01

    In the mol­ecule of the title compound, C12H12N2O, the quinoxaline ring is planar with an r.m.s. deviation of 0.007 (15) Å. The dihedral angle between the quinoxaline and propenyl planes is 82.1 (2)°. The crystal packing is stabilized by offset π–π stacking between the quinoxaline rings [centroid–centroid distance = 3.8832 (9) Å]. PMID:21587981

  8. The Vapor Pressure of 1-(2,2,3,3-Tetrafluoropropoxy)-3-(4-sec-butylphenoxy)-2-prop anol

    SciTech Connect

    Steele, W.V.

    2002-01-29

    The vapor pressure of the compound 1-(2,2,3,3-tetrafluoropropoxy)-3-(4-sec-butylphenoxy)-2-propanol was measured over the temperature range 62 to 92 C using a Knudsen effusion technique. This compound, known as Cs-7SB, is the modifier component in the caustic-side solvent extraction process solvent. The vapor pressure is related to temperature by the equation ln(p/Pa) = (32.202 {+-} 0.265) - (12154 {+-} 93)/T, where p is the pressure, expressed in pascals; Pa is the reference pressure of 1 pascal; and T is the temperature, expressed in degrees kelvin. The derived heat of vaporization is 101.1 {+-} 0.8{sup kJ{center_dot}mol{sup 1} at 351 K. Because the vapor pressures over the temperature range of 15 to 50 C were lower than the design capabilities of the Knudsen effusion apparatus, the vapor pressures at these temperature limits were obtained by extrapolation. The estimated values are 4.6 {+-} 0.3E-05 (3.5 {+-} 0.2E-07 mm Hg) and 4.5 {+-} 0.1E-03 Pa (3.4 {+-} 0.1E-05 mm Hg) for 15 C and 50 C, respectively.

  9. D-wave charmonia η _{c2}(1^1D_2), ψ _2(1^3D_2), and ψ _3(1^3D_3) in B_c decays

    NASA Astrophysics Data System (ADS)

    Li, Qiang; Wang, Tianhong; Jiang, Yue; Yuan, Han; Wang, Guo-Li

    2016-08-01

    We study the semileptonic and nonleptonic decays of B_c meson to D-wave charmonia, namely, η _{c2}(1^1D_2), ψ _2(1^3D_2), and ψ _3(1^3D_3). In our calculations, the instantaneous Bethe-Salpeter method is applied to obtain the hadronic matrix elements. This method includes relativistic corrections which are important especially for the higher orbital excited states. For the semileptonic decay channels with electron as the final lepton, we get the branching ratios {B}[B_c → η _{c2}ebar{ν }_e] = 5.9^{-0.8}_{+1.0}× 10^{-4}, {B}[B_c → ψ _2ebar{ν }_e]=1.5^{-0.2}_{+0.3}× 10^{-4}, and {B}[B_c → ψ _3ebar{ν }_e]=3.5^{-0.6}_{+0.8}× 10^{-4}. The transition form factors, forward-backward asymmetries, and lepton spectra in these processes are also presented. For the nonleptonic decay channels, those with ρ as the lighter meson have the largest branching ratios, {B}[B_c → η _{c2}ρ ] = 8.1^{-1.0}_{+1.0}× 10^{-4}, {B}[B_c → ψ _2ρ ]=9.6^{-1.0}_{+1.0}× 10^{-5}, and {B}[B_c → ψ _3ρ ]=4.1^{-0.7}_{+0.8}× 10^{-4}.

  10. Molecular structure studies of (1S,2S)-2-benzyl-2,3-dihydro-2-(1H-inden-2-yl)-1H-inden-1-ol

    PubMed Central

    Zhang, Tao; Paluch, Krzysztof; Scalabrino, Gaia; Frankish, Neil; Healy, Anne-Marie; Sheridan, Helen

    2015-01-01

    The single enantiomer (1S,2S)-2-benzyl-2,3-dihydro-2-(1H-inden-2-yl)-1H-inden-1-ol (2), has recently been synthesized and isolated from its corresponding diastereoisomer (1). The molecular and crystal structures of this novel compound have been fully analyzed. The relative and absolute configurations have been determined by using a combination of analytical tools including X-ray crystallography, X-ray Powder Diffraction (XRPD) analysis and Nuclear Magnetic Resonance (NMR) spectroscopy. PMID:25750458

  11. Cytotoxicity and bioactivation mechanism of benzyl 2-chloro-1,1,2-trifluoroethyl sulfide and benzyl 1,2,3,4,4-pentachlorobuta-1,3-dienyl sulfide

    SciTech Connect

    Veltman, J.C.; Dekant, W.; Guengerich, F.P.; Anders, M.W.

    1988-01-01

    The metabolism and cytotoxicity of benzyl 1,2,3,4,4-pentachlorobuta-1,3-dienyl sulfide (1) and benzyl 2-chloro-1,1,2-trifluoroethyl sulfide (2) were studied as an alternative test of the hypothesis that the toxicity of the cysteine S-conjugates S-(pentachlorobutadienyl)-L-cysteine and S-(2-chloro-1,1,2-trifluoroethyl)-L-cysteine is associated with their metabolism to unstable thiols; the expectation was that the benzyl sulfides 1 and 2 would undergo cytochrome P-450 dependent benzylic hydroxylation and that the intermediate hemimercaptals would eliminate unstable, cytotoxic thiols. This expectation was realized: 1 and 2 were cytotoxic in isolated rat hepatocytes. The cytotoxicity of 1 was greater in hepatocytes from phenobarbital-treated rats compared with control rats and in male then in female rats and was inhibited by carbon monoxide and 2-(N,N-diethylamino)ethyl 2,2-diphenylvalerate HCl (SKF 525-A). Benzyl sulfides 1 and 2 were metabolized to benzaldehyde by rat hepatic microsomal fractions and by a purified, reconstituted cytochrome P-450/sub PB-B/ system. Benzaldehyde was not cytotoxic. These results provide support for the hypothesis that benzyl sulfides 1 and 2 and the corresponding cysteine S-conjugates yield unstable thiols, which may give rise to acylating agents or to stable, but toxic, terminal products that are responsible for the cytotoxic effects of benzyl sulfides and cysteine S-conjugates.

  12. Fluorination of 1,2,3,4- and 1,2,3,5-tetrahalobenzenes with potassium fluoride in dimethyl sulfone

    USGS Publications Warehouse

    Finger, G.C.; Dickerson, D.R.; Shiley, R.H.

    1972-01-01

    1,2,3,4-Tetrachlorobenzene, 1,2,3,5-tetrachlorobenzene, 2,4,6-trichlorofluorobenzene, and 2,6-dichloro-1,4-difluorobenzene were fluorinated with potassium fluoride and potassium fluoride-cesium fluoride mixtures in dimethyl sulfone. By varying the concentration, temperature and reaction time, the degree of fluorination could be controlled to some extent. The optimum conditions for producing mono-, di- and tri-fluoro-substituted chlorobenzenes and trace amounts of tetrafluorobenzene from the corresponding tetrachlorobenzenes are given. 1,2,3,5-Tetrafluorobenzene was obtained in 44.8% yield from 2,6-dichloro-1,4-difluorobenzene. 1,2,3,4-Tetrafluorobenzene was obtained in only trace amounts from 1,2,3,4-tetrachlorobenzene. A total of 24 new chlorofluorobenzenes and intermediates are described. Fluorination with potassium fluoride and certain other metal fluorides was also investigated. ?? 1972.

  13. Cycloadditions of Noncomplementary Substituted 1,2,3-Triazines

    PubMed Central

    2015-01-01

    The scope of the [4 + 2] cycloaddition reactions of substituted 1,2,3-triazines, bearing noncomplementary substitution with electron-withdrawing groups at C4 and/or C6, is described. The studies define key electronic and steric effects of substituents impacting the reactivity, mode (C4/N1 vs C5/N2), and regioselectivity of the cycloaddition reactions of 1,2,3-triazines with amidines, enamines, and ynamines, providing access to highly functionalized heterocycles. PMID:25222918

  14. (Z)-2-(1H-Indol-3-ylmethylene)-1-azabicyclo[2.2.2]octan-3-one.

    PubMed

    Sonar, Vijayakumar N; Parkin, Sean; Crooks, Peter A

    2004-01-01

    The title compound, C(16)H(16)N(2)O, which contains a double bond connecting an azabicyclic ring system to an indol-3-ylmethylene group, crystallizes from a solution in ethyl acetate. The geometries of the two crystallographically independent molecules are nearly identical. The crystal packing of the title compound involves two types of intermolecular hydrogen bond.

  15. SIRT1, 2, 3 protect mouse oocytes from postovulatory aging.

    PubMed

    Zhang, Teng; Zhou, Yang; Li, Li; Wang, Hong-Hui; Ma, Xue-Shan; Qian, Wei-Ping; Shen, Wei; Schatten, Heide; Sun, Qing-Yuan

    2016-04-01

    The quality of metaphase II oocytes will undergo a time-dependent deterioration following ovulation as the result of the oocyte aging process. In this study, we determined that the expression of sirtuin family members (SIRT1, 2, 3) was dramatically reduced in mouse oocytes aged in vivo or in vitro. Increased intracellular ROS was observed when SIRT1, 2, 3 activity was inhibited. Increased frequency of spindle defects and disturbed distribution of mitochondria were also observed in MII oocytes aged in vitro after treatment with Nicotinamide (NAM), indicating that inhibition of SIRT1, 2, 3 may accelerate postovulatory oocyte aging. Interestingly, when MII oocytes were exposed to caffeine, the decline of SIRT1, 2, 3 mRNA levels was delayed and the aging-associated defective phenotypes could be improved. The results suggest that the SIRT1, 2, 3 pathway may play a potential protective role against postovulatory oocyte aging by controlling ROS generation. PMID:26974211

  16. SIRT1, 2, 3 protect mouse oocytes from postovulatory aging

    PubMed Central

    Zhang, Teng; Zhou, Yang; Li, Li; Wang, Hong-Hui; Ma, Xue-Shan; Qian, Wei-Ping; Shen, Wei; Schatten, Heide; Sun, Qing-Yuan

    2016-01-01

    The quality of metaphase II oocytes will undergo a time-dependent deterioration following ovulation as the result of the oocyte aging process. In this study, we determined that the expression of sirtuin family members (SIRT1, 2, 3) was dramatically reduced in mouse oocytes aged in vivo or in vitro. Increased intracellular ROS was observed when SIRT1, 2, 3 activity was inhibited. Increased frequency of spindle defects and disturbed distribution of mitochondria were also observed in MII oocytes aged in vitro after treatment with Nicotinamide (NAM), indicating that inhibition of SIRT1, 2, 3 may accelerate postovulatory oocyte aging. Interestingly, when MII oocytes were exposed to caffeine, the decline of SIRT1, 2, 3 mRNA levels was delayed and the aging-associated defective phenotypes could be improved. The results suggest that the SIRT1, 2, 3 pathway may play a potential protective role against postovulatory oocyte aging by controlling ROS generation. PMID:26974211

  17. Propellant Containing 3, 6bis(1h-1,2,3,4-Tetrazol-5-Ylamino)-1,2,4,5- Tetrazine Or Salt Thereof

    DOEpatents

    Hiskey, Michael A.; Chavez, David E.; Naud, Darren

    2003-12-02

    The compound 3,6-bis(1H-1,2,3,4-tetrazol-5-ylamino)-1,2,4,5-tetrazine and its salts are provided together with a propellant composition including an oxidizer, a binder and 3,6-bis(1H-1,2,3,4-tetrazol-5-ylamino)-1,2,4,5-tetrazine or its salts.

  18. 1,1',4,5-tetrahydrotrispiro[1,3,2-diazaphosphole-2,2'-[1,3,5,2,4,6]triazatriphosphinine-4',6''-dibenzo[d,f][1,3,2]dioxaphosphepine-6',6'''-dibenzo[d,f][1,3,2]dioxaphosphepine

    Technology Transfer Automated Retrieval System (TEKTRAN)

    The title compound 1,1',4,5-tetrahydrotrispiro[1,3,2-diazaphosphole-2,2'-[1,3,5,2,4,6]triazatriphosphinine-4',6''-dibenzo[d,f][1,3,2]dioxaphosphepine-6',6'''-dibenzo[d,f][1,3,2]dioxaphosphepine], C26H22N5O4P3, at 100°K has monoclinic (P21/c) symmetry and is achieved in a two step synthesis that does...

  19. 40 CFR 721.10252 - Thiosulfuric acid (H2S2O3), manganese(2+) salt (1:1).

    Code of Federal Regulations, 2014 CFR

    2014-07-01

    ... 40 Protection of Environment 31 2014-07-01 2014-07-01 false Thiosulfuric acid (H2S2O3), manganese... New Uses for Specific Chemical Substances § 721.10252 Thiosulfuric acid (H2S2O3), manganese(2+) salt... substance identified as thiosulfuric acid (H2S2O3), manganese(2+) salt (1:1) (PMN P-09-373; CAS No....

  20. 40 CFR 721.10252 - Thiosulfuric acid (H2S2O3), manganese(2+) salt (1:1).

    Code of Federal Regulations, 2013 CFR

    2013-07-01

    ... 40 Protection of Environment 32 2013-07-01 2013-07-01 false Thiosulfuric acid (H2S2O3), manganese... New Uses for Specific Chemical Substances § 721.10252 Thiosulfuric acid (H2S2O3), manganese(2+) salt... substance identified as thiosulfuric acid (H2S2O3), manganese(2+) salt (1:1) (PMN P-09-373; CAS No....

  1. 40 CFR 721.10252 - Thiosulfuric acid (H2S2O3), manganese(2+) salt (1:1).

    Code of Federal Regulations, 2012 CFR

    2012-07-01

    ... 40 Protection of Environment 32 2012-07-01 2012-07-01 false Thiosulfuric acid (H2S2O3), manganese... New Uses for Specific Chemical Substances § 721.10252 Thiosulfuric acid (H2S2O3), manganese(2+) salt... substance identified as thiosulfuric acid (H2S2O3), manganese(2+) salt (1:1) (PMN P-09-373; CAS No....

  2. (3Z)-3-(2-[4-(aryl)-1,3-thiazol-2-yl]hydrazin-1-ylidene)-2,3-dihydro-1H-indol-2-one derivatives as dual inhibitors of HIV-1 reverse transcriptase.

    PubMed

    Meleddu, Rita; Distinto, Simona; Corona, Angela; Bianco, Giulia; Cannas, Valeria; Esposito, Francesca; Artese, Anna; Alcaro, Stefano; Matyus, Peter; Bogdan, Dora; Cottiglia, Filippo; Tramontano, Enzo; Maccioni, Elias

    2015-03-26

    The HIV-1 Reverse Transcriptase (RT) is a validated and deeply explored biological target for the treatment of AIDS. However, only drugs targeting the RT-associated DNA polymerase (DP) function have been approved for clinical use. We designed and synthesised a new generation of HIV-1 RT inhibitors, based on the (3Z)-3-(2-[4-(aryl)-1,3-thiazol-2-yl]hydrazin-1-ylidene)-2,3-dihydro-1H-indol-2-one scaffold. These compounds are active towards both RT-associated functions, DNA polymerase and ribonuclease H. The structure, biological activity and mode of action of the new derivatives have been investigated. In particular, the nature of the aromatic group in the position 4 of the thiazole ring plays a key role in the modulation of the activity towards the two RT-associated functions.

  3. 49 CFR 172.522 - EXPLOSIVES 1.1, EXPLOSIVES 1.2 and EXPLOSIVES 1.3 placards.

    Code of Federal Regulations, 2011 CFR

    2011-10-01

    ... 49 Transportation 2 2011-10-01 2011-10-01 false EXPLOSIVES 1.1, EXPLOSIVES 1.2 and EXPLOSIVES 1.3... INFORMATION, TRAINING REQUIREMENTS, AND SECURITY PLANS Placarding § 172.522 EXPLOSIVES 1.1, EXPLOSIVES 1.2 and EXPLOSIVES 1.3 placards. (a) Except for size and color, the EXPLOSIVES 1.1, EXPLOSIVES 1.2 and EXPLOSIVES...

  4. 49 CFR 172.522 - EXPLOSIVES 1.1, EXPLOSIVES 1.2 and EXPLOSIVES 1.3 placards.

    Code of Federal Regulations, 2010 CFR

    2010-10-01

    ... 49 Transportation 2 2010-10-01 2010-10-01 false EXPLOSIVES 1.1, EXPLOSIVES 1.2 and EXPLOSIVES 1.3... INFORMATION, TRAINING REQUIREMENTS, AND SECURITY PLANS Placarding § 172.522 EXPLOSIVES 1.1, EXPLOSIVES 1.2 and EXPLOSIVES 1.3 placards. (a) Except for size and color, the EXPLOSIVES 1.1, EXPLOSIVES 1.2 and EXPLOSIVES...

  5. 49 CFR 172.522 - EXPLOSIVES 1.1, EXPLOSIVES 1.2 and EXPLOSIVES 1.3 placards.

    Code of Federal Regulations, 2014 CFR

    2014-10-01

    ... 49 Transportation 2 2014-10-01 2014-10-01 false EXPLOSIVES 1.1, EXPLOSIVES 1.2 and EXPLOSIVES 1.3... INFORMATION, TRAINING REQUIREMENTS, AND SECURITY PLANS Placarding § 172.522 EXPLOSIVES 1.1, EXPLOSIVES 1.2 and EXPLOSIVES 1.3 placards. (a) Except for size and color, the EXPLOSIVES 1.1, EXPLOSIVES 1.2 and EXPLOSIVES...

  6. 49 CFR 172.522 - EXPLOSIVES 1.1, EXPLOSIVES 1.2 and EXPLOSIVES 1.3 placards.

    Code of Federal Regulations, 2013 CFR

    2013-10-01

    ... 49 Transportation 2 2013-10-01 2013-10-01 false EXPLOSIVES 1.1, EXPLOSIVES 1.2 and EXPLOSIVES 1.3... INFORMATION, TRAINING REQUIREMENTS, AND SECURITY PLANS Placarding § 172.522 EXPLOSIVES 1.1, EXPLOSIVES 1.2 and EXPLOSIVES 1.3 placards. (a) Except for size and color, the EXPLOSIVES 1.1, EXPLOSIVES 1.2 and EXPLOSIVES...

  7. National Ignition Facility subsystem design requirements transportation {ampersand} handling, SSDR 1.1.1.3.2

    SciTech Connect

    Yakuma, S.; McNairy, R.

    1996-07-10

    This Subsystem Design Requirement document is a development specification that establishes the performance, design, development, and test requirements for the Transportation & Material Handling Systems (WBS 1.1.1.3.2) of the NIF Laser System (WBS 1.3 and 1.4). The NIF is a multi-pass, 192-beam, high-power, neodymium-glass laser that meets requirements set forth in the NIF SDR 002 (Laser System). 5 figs.

  8. 20. BUILDING I, BAYS 3, 2 AND 1, AND BUILDING ...

    Library of Congress Historic Buildings Survey, Historic Engineering Record, Historic Landscapes Survey

    20. BUILDING I, BAYS 3, 2 AND 1, AND BUILDING K, VIEW SOUTHEAST, NORTHWEST ELEVATIONS - Public Service Railway Company, Newton Avenue Car Shops, Bounded by Tenth, Mount Ephraim, Border & Newton Avenue, Camden, Camden County, NJ

  9. Contextual view of district with Quarters 1, 2, and 3 ...

    Library of Congress Historic Buildings Survey, Historic Engineering Record, Historic Landscapes Survey

    Contextual view of district with Quarters 1, 2, and 3 in view, as well as Whiting Way, camera facing southwest - Naval Training Station, Senior Officers' Quarters District, Naval Station Treasure Island, Yerba Buena Island, San Francisco, San Francisco County, CA

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

    SciTech Connect

    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 /sup 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.

  11. 2,4,6-Triamino-1,3,5-triazine-1H-isoindole-1,3(2H)-dione (1/3).

    PubMed

    Perpétuo, Genivaldo Júlio; Janczak, Jan

    2007-05-01

    The asymmetric unit of the title compound, C(3)H(6)N(6).3C(8)H(5)NO(2), contains a melamine and a phthalimide [1H-isoindole-1,3(2H)-dione] molecule, both residing on a mirror plane, and a second phthalimide molecule residing on a general position. The two components are linked by almost linear N-H...O and N-H...N hydrogen bonds, forming an essentially planar superstructure. These aggregates, related by a twofold screw axis, interact through weak C-H...O contacts, forming chains parallel to the b axis, while those related by translation along the c axis interact via pi-pi interactions between the pi clouds of the aromatic triazine and phthalimide rings to form a stacked structure.

  12. Indiana Reading List. [Levels 1, 2, 3, and 4].

    ERIC Educational Resources Information Center

    Indiana State Dept. of Education, Indianapolis.

    This reading list is designed as a companion piece to Indiana's Academic Standards in English/Language Arts and is organized on four levels: Level 1, Grades K-2; Level 2, Grades 3-5; Level 3, Grades 6-8; and Level 4, Grades 9-12. It contains titles and authors for approximately 800 works. The Level 1 Reading List contains these sections: fiction…

  13. Diary of a Conversion--Lotus 1-2-3 to Symphony 1.1.

    ERIC Educational Resources Information Center

    Dunnewin, Larry

    1986-01-01

    Describes the uses of Lotus 1-2-3 (a spreadsheet-graphics-database program created by Lotus Development Corporation) and Symphony 1.1 (a refinement and expansion of Symphony 1.01 providing memory efficiency, speed, ease of use, greater file compatibility). Spreadsheet and graphics capabilities, the use of windows, database environment, and…

  14. (1H-1,2,3-Benzotriazol-1-yl)methyl 2,2-dimethyl-propano-ate.

    PubMed

    Xu, Sen; Shen, Yingzhong

    2012-04-01

    In the title compound, C(12)H(15)N(3)O(2), the dihedral angle between the mean planes of the benzene and triazole rings is 0.331 (53) °. The side chain of the pivalate unit forms a dihedral angle of 69.04 (12)° with the benzotriazole unit. The ester group and two methyl groups of the pivalate unit are disordered with an occupancy ratio of 0.731 (3):0.269 (3). In the crystal, weak π-π stacking inter-actions are observed between inversion-related benzene rings [centroid-centroid distance = 3.9040 (1) Å].

  15. PROCEEDINGS: 1993 SO2 CONTROL SYMPOSIUM - VOLUME 1. SESSIONS 1, 2, 3A, AND 3B

    EPA Science Inventory

    The report documents more than 100 presentations at the 1993 SO2 Control Symposium in Boston, MA, August 24-27, 1993. The presentations covered a wide range of topics: industry's strategies for dealing with Clean Air Act Amendments of 1990, including Phase I strategies, the emiss...

  16. 40 CFR 721.10166 - 1,3-Cyclohexanedione, 2-[2-chloro-4-(methylsulfonyl)-3-[(2,2,2-trifluoroethoxy)methyl]benzoyl...

    Code of Federal Regulations, 2011 CFR

    2011-07-01

    ...]-, ion(1-), potassium salt (1:1). 721.10166 Section 721.10166 Protection of Environment ENVIRONMENTAL... Significant New Uses for Specific Chemical Substances § 721.10166 1,3-Cyclohexanedione, 2- benzoyl]-, ion(1... substance identified as 1,3-cyclohexanedione, 2- benzoyl]-, ion(1-), potassium salt (1:1) (PMN P-08-180;...

  17. 40 CFR 721.10166 - 1,3-Cyclohexanedione, 2-[2-chloro-4-(methylsulfonyl)-3-[(2,2,2-trifluoroethoxy)methyl]benzoyl...

    Code of Federal Regulations, 2012 CFR

    2012-07-01

    ...]-, ion(1-), potassium salt (1:1). 721.10166 Section 721.10166 Protection of Environment ENVIRONMENTAL... Significant New Uses for Specific Chemical Substances § 721.10166 1,3-Cyclohexanedione, 2- benzoyl]-, ion(1... substance identified as 1,3-cyclohexanedione, 2- benzoyl]-, ion(1-), potassium salt (1:1) (PMN P-08-180;...

  18. 40 CFR 721.10166 - 1,3-Cyclohexanedione, 2-[2-chloro-4-(methylsulfonyl)-3-[(2,2,2-trifluoroethoxy)methyl]benzoyl...

    Code of Federal Regulations, 2010 CFR

    2010-07-01

    ...]-, ion(1-), potassium salt (1:1). 721.10166 Section 721.10166 Protection of Environment ENVIRONMENTAL... Significant New Uses for Specific Chemical Substances § 721.10166 1,3-Cyclohexanedione, 2- benzoyl]-, ion(1... substance identified as 1,3-cyclohexanedione, 2- benzoyl]-, ion(1-), potassium salt (1:1) (PMN P-08-180;...

  19. 40 CFR 721.10166 - 1,3-Cyclohexanedione, 2-[2-chloro-4-(methylsulfonyl)-3-[(2,2,2-trifluoroethoxy)methyl]benzoyl...

    Code of Federal Regulations, 2014 CFR

    2014-07-01

    ...]-, ion(1-), potassium salt (1:1). 721.10166 Section 721.10166 Protection of Environment ENVIRONMENTAL... Significant New Uses for Specific Chemical Substances § 721.10166 1,3-Cyclohexanedione, 2- benzoyl]-, ion(1... substance identified as 1,3-cyclohexanedione, 2- benzoyl]-, ion(1-), potassium salt (1:1) (PMN P-08-180;...

  20. 40 CFR 721.10166 - 1,3-Cyclohexanedione, 2-[2-chloro-4-(methylsulfonyl)-3-[(2,2,2-trifluoroethoxy)methyl]benzoyl...

    Code of Federal Regulations, 2013 CFR

    2013-07-01

    ...]-, ion(1-), potassium salt (1:1). 721.10166 Section 721.10166 Protection of Environment ENVIRONMENTAL... Significant New Uses for Specific Chemical Substances § 721.10166 1,3-Cyclohexanedione, 2- benzoyl]-, ion(1... substance identified as 1,3-cyclohexanedione, 2- benzoyl]-, ion(1-), potassium salt (1:1) (PMN P-08-180;...

  1. Controlling stereoselectivity by enzymatic and chemical means to access enantiomerically pure (1S,3R)-1-benzyl-2,3-dimethyl-1,2,3,4-tetrahydroisoquinoline derivatives☆

    PubMed Central

    Orden, Alejandro A.; Schrittwieser, Joerg H.; Resch, Verena; Mutti, Francesco G.; Kroutil, Wolfgang

    2013-01-01

    A chemoenzymatic strategy for the synthesis of enantiomerically pure novel alkaloids (1S,3R)-1-benzyl-2,3-dimethyl-1,2,3,4-tetrahydroisoquinolines is presented. The key steps are the biocatalytic stereoselective reductive amination of substituted 1-phenylpropan-2-one derivatives to yield chiral amines employing microbial ω-transaminases, and the diastereoselective reduction of a Bischler–Napieralski imine intermediate by catalytic hydrogenation in the presence of palladium on charcoal, leading exclusively to the desired cis-isomer. PMID:24503964

  2. 40 CFR 721.5500 - 7-Oxabicyclo[4.1.0]heptane, 3-ethenyl, homopolymer, ether with 2-ethyl-2-(hydroxymethyl)-1,3-pro...

    Code of Federal Regulations, 2010 CFR

    2010-07-01

    ..., homopolymer, ether with 2-ethyl-2-(hydroxymethyl)-1,3-pro-pane-diol (3:1), epoxidized. 721.5500 Section 721...-Oxabicyclo heptane, 3-ethenyl, homopolymer, ether with 2-ethyl-2-(hydroxymethyl)-1,3-pro-pane-diol (3:1... 7-oxabicyclo heptane, 3-ethenyl, homopolymer, ether with 2-ethyl-2(hydroxymethyl)-1,3-propanediol...

  3. 40 CFR 721.5500 - 7-Oxabicyclo[4.1.0]heptane, 3-ethenyl, homopolymer, ether with 2-ethyl-2-(hydroxymethyl)-1,3-pro...

    Code of Federal Regulations, 2011 CFR

    2011-07-01

    ..., homopolymer, ether with 2-ethyl-2-(hydroxymethyl)-1,3-pro-pane-diol (3:1), epoxidized. 721.5500 Section 721...-Oxabicyclo heptane, 3-ethenyl, homopolymer, ether with 2-ethyl-2-(hydroxymethyl)-1,3-pro-pane-diol (3:1... 7-oxabicyclo heptane, 3-ethenyl, homopolymer, ether with 2-ethyl-2(hydroxymethyl)-1,3-propanediol...

  4. 40 CFR 721.10122 - 2-Propenoic acid, 2-methyl-, 1,1′-[2-ethyl-2-[[(2-methyl-1-oxo-2-propen-1-yl)oxy]methyl]- 1,3...

    Code of Federal Regulations, 2010 CFR

    2010-07-01

    ... 40 Protection of Environment 30 2010-07-01 2010-07-01 false 2-Propenoic acid, 2-methyl-, 1,1â²- methyl]- 1,3-propanediyl] ester, polymer with 1,3-butadiene, ethenylbenzene and 2-hydroxyethyl 2-methyl-2-propenoate. 721.10122 Section 721.10122 Protection of Environment ENVIRONMENTAL PROTECTION AGENCY (CONTINUED) TOXIC SUBSTANCES CONTROL...

  5. 40 CFR 721.10122 - 2-Propenoic acid, 2-methyl-, 1,1′-[2-ethyl-2-[[(2-methyl-1-oxo-2-propen-1-yl)oxy]methyl]- 1,3...

    Code of Federal Regulations, 2011 CFR

    2011-07-01

    ... 40 Protection of Environment 31 2011-07-01 2011-07-01 false 2-Propenoic acid, 2-methyl-, 1,1â²- methyl]- 1,3-propanediyl] ester, polymer with 1,3-butadiene, ethenylbenzene and 2-hydroxyethyl 2-methyl-2-propenoate. 721.10122 Section 721.10122 Protection of Environment ENVIRONMENTAL PROTECTION AGENCY (CONTINUED) TOXIC SUBSTANCES CONTROL...

  6. 40 CFR 721.10122 - 2-Propenoic acid, 2-methyl-, 1,1′-[2-ethyl-2-[[(2-methyl-1-oxo-2-propen-1-yl)oxy]methyl]- 1,3...

    Code of Federal Regulations, 2014 CFR

    2014-07-01

    ... 40 Protection of Environment 31 2014-07-01 2014-07-01 false 2-Propenoic acid, 2-methyl-, 1,1â²- methyl]- 1,3-propanediyl] ester, polymer with 1,3-butadiene, ethenylbenzene and 2-hydroxyethyl 2-methyl-2-propenoate. 721.10122 Section 721.10122 Protection of Environment ENVIRONMENTAL PROTECTION AGENCY (CONTINUED) TOXIC SUBSTANCES CONTROL...

  7. 40 CFR 721.10122 - 2-Propenoic acid, 2-methyl-, 1,1′-[2-ethyl-2-[[(2-methyl-1-oxo-2-propen-1-yl)oxy]methyl]- 1,3...

    Code of Federal Regulations, 2013 CFR

    2013-07-01

    ... 40 Protection of Environment 32 2013-07-01 2013-07-01 false 2-Propenoic acid, 2-methyl-, 1,1â²- methyl]- 1,3-propanediyl] ester, polymer with 1,3-butadiene, ethenylbenzene and 2-hydroxyethyl 2-methyl-2-propenoate. 721.10122 Section 721.10122 Protection of Environment ENVIRONMENTAL PROTECTION AGENCY (CONTINUED) TOXIC SUBSTANCES CONTROL...

  8. 40 CFR 721.10122 - 2-Propenoic acid, 2-methyl-, 1,1′-[2-ethyl-2-[[(2-methyl-1-oxo-2-propen-1-yl)oxy]methyl]- 1,3...

    Code of Federal Regulations, 2012 CFR

    2012-07-01

    ... 40 Protection of Environment 32 2012-07-01 2012-07-01 false 2-Propenoic acid, 2-methyl-, 1,1â²- methyl]- 1,3-propanediyl] ester, polymer with 1,3-butadiene, ethenylbenzene and 2-hydroxyethyl 2-methyl-2-propenoate. 721.10122 Section 721.10122 Protection of Environment ENVIRONMENTAL PROTECTION AGENCY (CONTINUED) TOXIC SUBSTANCES CONTROL...

  9. (Z)-3-(1H-Indol-3-yl)-2-(3-thienyl)acrylonitrile and (Z)-3-[1-(4-tert-butylbenzyl)-1H-indol-3-yl]-2-(3-thienyl)acrylonitrile.

    PubMed

    Sonar, Vijayakumar N; Parkin, Sean; Crooks, Peter A

    2005-02-01

    (Z)-3-(1H-Indol-3-yl)-2-(3-thienyl)acrylonitrile, C15H10N2S, (I), and (Z)-3-[1-(4-tert-butylbenzyl)-1H-indol-3-yl]-2-(3-thienyl)acrylonitrile, C26H24N2S, (II), were prepared by base-catalyzed reactions of the corresponding indole-3-carboxaldehyde with thiophene-3-acetonitrile. 1H/13C NMR spectral data and X-ray crystal structures of compounds (I) and (II) are presented. The olefinic bond connecting the indole and thiophene moieties has Z geometry in both cases, and the molecules crystallize in space groups P2(1)/c and C2/c for (I) and (II), respectively. Slight thienyl ring-flip disorder (ca 5.6%) was observed and modeled for (I).

  10. Unusual traits of cis and trans-2,3-dibromo-1,1-dimethylindane on the way from 1,1-dimethylindene to 2-bromo-, 3-bromo-, and 2,3-dibromo-1,1-dimethylindene.

    PubMed

    Knorr, Rudolf; Stephenson, David S; Lattke, Ernst; Böhrer, Petra; Ruhdorfer, Jakob

    2016-01-01

    Do not rely on the widely accepted rule that vicinal, sp(3)-positioned protons in cyclopentene moieties should always have more positive (3) J NMR coupling constants for the cis than for the trans arrangement: Unrecognized exceptions might misguide one to wrong stereochemical assignments and thence to erroneous mechanistic conclusions. We show here that two structurally innocent-looking 2,3-dibromo-1,1-dimethylindanes violate the rule by means of their values of (3) J(cis) = 6.1 Hz and (3) J(trans) = 8.4 Hz. The stereoselective formation of the trans diastereomer from 1,1-dimethylindene was improved with the tribromide anion (Br3 (-)) as the brominating agent in place of elemental bromine; the ensuing, regiospecific HBr elimination afforded 3-bromo-1,1-dimethylindene. The addition of elemental bromine to the latter compound, followed by thermal HBr elimination, furnished 2,3-dibromo-1,1-dimethylindene, whose Br/Li interchange reaction, precipitation, and subsequent protolysis yielded only 2-bromo-1,1-dimethylindene. PMID:27559369

  11. Unusual traits of cis and trans-2,3-dibromo-1,1-dimethylindane on the way from 1,1-dimethylindene to 2-bromo-, 3-bromo-, and 2,3-dibromo-1,1-dimethylindene

    PubMed Central

    Stephenson, David S; Lattke, Ernst; Böhrer, Petra; Ruhdorfer, Jakob

    2016-01-01

    Summary Do not rely on the widely accepted rule that vicinal, sp3-positioned protons in cyclopentene moieties should always have more positive 3 J NMR coupling constants for the cis than for the trans arrangement: Unrecognized exceptions might misguide one to wrong stereochemical assignments and thence to erroneous mechanistic conclusions. We show here that two structurally innocent-looking 2,3-dibromo-1,1-dimethylindanes violate the rule by means of their values of 3 J(cis) = 6.1 Hz and 3 J(trans) = 8.4 Hz. The stereoselective formation of the trans diastereomer from 1,1-dimethylindene was improved with the tribromide anion (Br3 −) as the brominating agent in place of elemental bromine; the ensuing, regiospecific HBr elimination afforded 3-bromo-1,1-dimethylindene. The addition of elemental bromine to the latter compound, followed by thermal HBr elimination, furnished 2,3-dibromo-1,1-dimethylindene, whose Br/Li interchange reaction, precipitation, and subsequent protolysis yielded only 2-bromo-1,1-dimethylindene. PMID:27559369

  12. Method for preparation of 7-hydroxy-1,2,3,4-tetrahydroquinoline from 1,2,3,4-tetrahydroquinoline

    DOEpatents

    Field, G.; Hammond, P.R.

    1994-02-01

    Methods for the efficient preparation of 7-hydroxy-1,2,3,4-tetrahydroquinoline include a first method in which the acylation of m-aminophenol obtains a lactam which is reduced to give the desired quinoline and a second method in which tetrahydroquinoline is nitrated and hydrogenated and then hydrolyzed to obtain the desire quinoline. 7-hydroxy-1,2,3,4-tetrahydroquinoline is used in the efficient synthesis of four lasing dyes of the rhodamine class.

  13. Design and synthesis of substituted pyrido[3,2-d]-1,2,3-triazines as potential Pim-1 inhibitors.

    PubMed

    Fan, Yin-Bo; Li, Kun; Huang, Min; Cao, Yu; Li, Ying; Jin, Shu-Yu; Liu, Wen-Bing; Wen, Jia-Chen; Liu, Dan; Zhao, Lin-Xiang

    2016-02-15

    A novel series of substituted pyrido[3,2-d]-1,2,3-triazines were designed and synthesized as Pim-1 inhibitors through scaffold hopping. Most of the derivatives showed potent in vitro Pim-1 inhibitory activities and anti-proliferative effects toward prostate cancer cells. Among them, 6b, 6h and 6m showed the best Pim-1 inhibitory activity with IC50 values of 0.69, 0.60 and 0.80 μM, respectively. Furthermore, compounds 6b, 6i, 6j and 6m showed strong inhibitory activity to human prostate cancer LNcap and PC-3 cell lines with IC50 values at low micromolar level. Structure-activity relationship analysis revealed that appropriate substitutions at C-6 positions contributed to the kinase inhibition and antiproliferative effects. Moreover, western blot assay suggested that 6j could decrease the levels of p-BAD and p-4E-BP1 in a dose-dependent manner in PC-3 cells. Docking studies showed that 3-N of the scaffold formed a hydrogen bond with Lys67, aromatic 4-aniline formed a key π-π stack with Phe49. Taken together, this study might provide the first sight for developing the pyrido[3,2-d]-1,2,3-triazine scaffold as novel Pim-1 inhibitors.

  14. 10 CFR 960.3-2-2-1 - Evaluation of all potentially acceptable sites.

    Code of Federal Regulations, 2010 CFR

    2010-01-01

    ... 10 Energy 4 2010-01-01 2010-01-01 false Evaluation of all potentially acceptable sites. 960.3-2-2-1 Section 960.3-2-2-1 Energy DEPARTMENT OF ENERGY GENERAL GUIDELINES FOR THE PRELIMINARY SCREENING OF POTENTIAL SITES FOR A NUCLEAR WASTE REPOSITORY Implementation Guidelines § 960.3-2-2-1...

  15. 10 CFR 960.3-2-2-1 - Evaluation of all potentially acceptable sites.

    Code of Federal Regulations, 2012 CFR

    2012-01-01

    ... 10 Energy 4 2012-01-01 2012-01-01 false Evaluation of all potentially acceptable sites. 960.3-2-2-1 Section 960.3-2-2-1 Energy DEPARTMENT OF ENERGY GENERAL GUIDELINES FOR THE PRELIMINARY SCREENING OF POTENTIAL SITES FOR A NUCLEAR WASTE REPOSITORY Implementation Guidelines § 960.3-2-2-1...

  16. 10 CFR 960.3-2-2-1 - Evaluation of all potentially acceptable sites.

    Code of Federal Regulations, 2011 CFR

    2011-01-01

    ... 10 Energy 4 2011-01-01 2011-01-01 false Evaluation of all potentially acceptable sites. 960.3-2-2-1 Section 960.3-2-2-1 Energy DEPARTMENT OF ENERGY GENERAL GUIDELINES FOR THE PRELIMINARY SCREENING OF POTENTIAL SITES FOR A NUCLEAR WASTE REPOSITORY Implementation Guidelines § 960.3-2-2-1...

  17. 10 CFR 960.3-2-2-1 - Evaluation of all potentially acceptable sites.

    Code of Federal Regulations, 2014 CFR

    2014-01-01

    ... 10 Energy 4 2014-01-01 2014-01-01 false Evaluation of all potentially acceptable sites. 960.3-2-2-1 Section 960.3-2-2-1 Energy DEPARTMENT OF ENERGY GENERAL GUIDELINES FOR THE PRELIMINARY SCREENING OF POTENTIAL SITES FOR A NUCLEAR WASTE REPOSITORY Implementation Guidelines § 960.3-2-2-1...

  18. 10 CFR 960.3-2-2-1 - Evaluation of all potentially acceptable sites.

    Code of Federal Regulations, 2013 CFR

    2013-01-01

    ... 10 Energy 4 2013-01-01 2013-01-01 false Evaluation of all potentially acceptable sites. 960.3-2-2-1 Section 960.3-2-2-1 Energy DEPARTMENT OF ENERGY GENERAL GUIDELINES FOR THE PRELIMINARY SCREENING OF POTENTIAL SITES FOR A NUCLEAR WASTE REPOSITORY Implementation Guidelines § 960.3-2-2-1...

  19. Base-catalyzed efficient tandem [3 + 3] and [3 + 2 + 1] annulation-aerobic oxidative benzannulations.

    PubMed

    Diallo, Aboubacar; Zhao, Yu-Long; Wang, He; Li, Sha-Sha; Ren, Chuan-Qing; Liu, Qun

    2012-11-16

    An efficient synthesis of substituted benzenes via a base-catalyzed [3 + 3] aerobic oxidative aromatization of α,β-unsaturated carbonyl compounds with dimethyl glutaconate was reported. All the reactions were carried out under mild, metal-free conditions to afford the products in high to excellent yields with molecular oxygen as the sole oxidant and water as the sole byproduct. Furthermore, a more convenient tandem [3 + 2 + 1] aerobic oxidative aromatization reaction was developed through the in situ generation of the α,β-unsaturated carbonyl compounds from aldehydes and ketones.

  20. Fatal chemical pneumonia from 1,1,2,3,3-pentafluoro-3-chloropropene in an unmarked gas tank

    SciTech Connect

    Thun, M.; Kimbrough, R.D.

    1981-01-01

    Fatal chemical pneumonia occurred in a worker following exposure to an unidentified gas in a salvaged cylinder. Inspection of the tank revealed a scrawled chemical formula for 1,1,2,3,3-pentafluoro-3-chloropropene, a suspected pulmonary irritant. The report underscores the potential hazards which salvaged cylinders pose to individuals who use or refill them. The population at risk includes scuba divers, emergency rescue personnel, and workers in the compressed gas industry.

  1. MBE grown high-quality Gd 2O 3/Si(1 1 1) hetero-structure

    NASA Astrophysics Data System (ADS)

    Lin, T. D.; Hang, M. C.; Hsu, C. H.; Kwo, J.; Hong, M.

    2007-04-01

    A nearly lattice-matched Gd 2O 3/Si(1 1 1) hetero-epitaxy was demonstrated using molecular beam epitaxy (MBE). Detailed structural studies find that the nano thick Gd 2O 3 films have a cubic phase with a very uniform thickness, an excellent crystallinity and atomically sharp interfaces. These features are characterized by the bright, streaky reconstructed reflection high-energy electron diffraction (RHEED) patterns at the initial oxide growth, the pronounced interference fringes in the X-ray reflectivity curve as well as in the crystal truncation rod around the substrate diffraction peaks using the high-resolution X-ray diffraction. The (1 1 1) axis of the thin oxide is oriented parallel to the substrate (1 1 1) normal with a 60° in-plane symmetry rotation.

  2. Synthesis, characterization and initial evaluation of 5-nitro-1-(trifluoromethyl)-3H-1λ3,2-benziodaoxol-3-one

    PubMed Central

    Santschi, Nico; Sarott, Roman C; Otth, Elisabeth; Kissner, Reinhard

    2014-01-01

    Summary The synthesis of 5-nitro-1-(trifluoromethyl)-3H-1λ3,2-benziodaoxol-3-one (3), a hypervalent-iodine-based electrophilic trifluoromethylating reagent, is described. Whereas considerations based on cyclic voltammetry and X-ray structural properties would predict an inferior reactivity when compared to the non-nitrated derivative 2, 19F NMR kinetic studies showed that this new derivative is almost one order of magnitude more reactive. Furthermore, differential scanning calorimetry measurements indicated that, in addition, it is also safer to handle. PMID:24454557

  3. 3-hydroxy-2(1H)-pyridinone chelating agents

    DOEpatents

    Raymond, K.N.; Xu, J.

    1997-04-29

    Disclosed is a series of improved metal chelating agents, which are highly effective upon both injection and oral administration; several of the most effective are of low toxicity. These chelating agents incorporate within their structure 1-hydroxy-2-pyridinone (1,2-HOPO) and 3-hydroxy-2-pyridinone (3,2-HOPO) moieties with a substituted carbamoyl group ortho to the hydroxy or oxo groups of the hydroxypyridinone ring. The electron-withdrawing carbamoyl group increases the acidity of the hydroxypyridinones. In the metal complexes of the chelating agents, the amide protons form very strong hydrogen bonds with its adjacent HOPO oxygen donor, making these complexes very stable at physiological conditions. The terminal N-substituents provides a certain degree of lipophilicity to the 3,2-HOPO, increasing oral activity. Also disclosed is a method of making the chelating agents and a method of producing a known compound, 3-hydroxy-1-alkyl-2(1H)pyridinone, used as a precursor to the chelating agent, safely and in large quantities. 2 figs.

  4. Aromatic derivatives of 2,3-dihydro-1H-1,5-benzodiazepine

    SciTech Connect

    Orlov, V.D.; Desenko, S.M.; Kiroga, Kh.

    1987-09-01

    The formation of 2,2,4-trisubstituted 2,3-dihydro-1H-1,5-benzodiazepines in the reactions of acetylarenes with 4-ethoxy- and 3,5-dimethyl-1,2-phenylenediamine was studied. The effect of the substituents on the individual stages of the reactions is discussed. A quantum-chemical calculation of the relative nucleophilicity of 1,2-phenylenediamine, 2,3-diaminopyridine, and 3,4-diaminofurazan was undertaken.

  5. Fragrance material review on 3-methyl-1-phenylbutan-2-ol.

    PubMed

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

    2012-09-01

    A toxicologic and dermatologic review of 3-methyl-1-phenylbutan-2-ol when used as a fragrance ingredient is presented. 3-Methyl-1-phenylbutan-2-ol is a member of the fragrance structural group Aryl Alkyl Alcohols and is a secondary alcohol. The AAAs are a structurally diverse class of fragrance ingredients that includes primary, secondary, and tertiary alkyl alcohols covalently bonded to an aryl (Ar) group, which may be either a substituted or unsubstituted benzene ring. The common structural element for the AAA fragrance ingredients is an alcohol group -C-(R1)(R2)OH and generically the AAA fragrances can be represented as an Ar-C-(R1)(R2)OH or Ar-Alkyl-C-(R1)(R2)OH group. This review contains a detailed summary of all available toxicology and dermatology papers that are related to this individual fragrance ingredient and is not intended as a stand-alone document. Available data for 3-methyl-1-phenylbutan-2-ol were evaluated then summarized and includes physical properties and mucous membrane (eye) irritation data. A safety assessment of the entire Aryl Alkyl Alcohols will be published simultaneously with this document; please refer to Belsito et al. (2012) for an overall assessment of the safe use of this material and all other branched chain saturated alcohols in fragrances.

  6. Fragrance material review on 3-methyl-2-pentylcyclopentan-1-one.

    PubMed

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

    2012-10-01

    A toxicologic and dermatologic review of 3-methyl-2-pentylcyclopentan-1-one when used as a fragrance ingredient is presented. 3-methyl-2-pentylcyclopentan-1-one is a member of the fragrance structural group ketones cyclopentanones and cyclopentenones. The common characteristic structural element of the group members is a cyclopentanone or cyclopentenone ring with a straight or branched chain alkane or alkene substituent. This review contains a detailed summary of all available toxicology and dermatology papers that are related to this individual fragrance ingredient and is not intended as a stand-alone document. Available data for 3-methyl-2-pentylcyclopentan-1-one were evaluated then summarized and includes physical properties data. A safety assessment of the entire ketones cyclopentanones and cyclopentenones will be published simultaneously with this document; please refer to Belsito et al. (2012) for an overall assessment of the safe use of this material and all ketones cyclopentanones and cyclopentenones in fragrances.

  7. Lewis Acid Catalyzed Formal Intramolecular [3 + 3] Cross-Cycloaddition of Cyclopropane 1,1-Diesters for Construction of Benzobicyclo[2.2.2]octane Skeletons.

    PubMed

    Ma, Weiwei; Fang, Jie; Ren, Jun; Wang, Zhongwen

    2015-09-01

    A novel Lewis acid catalyzed formal intramolecular [3 + 3] cross-cycloaddition (IMCC) of cyclopropane 1,1-diesters has been successfully developed. This supplies an efficient and conceptually new strategy for construction of bridged bicyclo[2.2.2]octane skeletons. This [3 + 3]IMCC could be run up to gram scale and from easily prepared starting materials. This [3 + 3]IMCC, together with our previously reported [3 + 2]IMCC strategy, can afford either the bicyclo[2.2.2]octane or bicyclo[3.2.1]octane skeletons from the similar starting materials by regulating the substituents on vinyl group.

  8. Aryne 1,2,3-Trifunctionalization with Aryl Allyl Sulfoxides.

    PubMed

    Li, Yuanyuan; Qiu, Dachuan; Gu, Rongrong; Wang, Junli; Shi, Jiarong; Li, Yang

    2016-08-31

    An aryne 1,2,3-trisubstitution with aryl allyl sulfoxides is accomplished, featuring an incorporation of C-S, C-O, and C-C bonds on the consecutive positions of a benzene ring. The reaction condition is mild with broad substrate scope. Preliminary mechanistic study suggests a cascade formal [2 + 2] reaction of aryne with S═O bond, an allyl S → O migration, and a Claisen rearrangement. PMID:27527334

  9. 3-hydroxy-2(1H)-pyridinone chelating agents

    DOEpatents

    Raymond, Kenneth N.; Xu, Jide

    1997-01-01

    Disclosed is a series of improved metal chelating agents, which are highly effective upon both injection and oral administration; several of the most effective are of low toxicity. These chelating agents incorporate within their structure 1-hydroxy-2-pyridinone (1,2-HOPO) and 3-hydroxy-2-pyridinone (3,2-HOPO) moieties with a substituted carbamoyl group ortho to the hydroxy or oxo groups of the hydroxypyridinone ring. The electron-withdrawing carbamoyl group increases the acidity of the hydroxypyridinones. In the metal complexes of said chelating agents, the amide protons form very strong hydrogen bonds with its adjacent HOPO oxygen donor, making these complexes very stable at physiological conditions. The terminal N-substituents provides a certain degree of lipophilicity to said 3,2-HOPO, increasing oral activity. Also disclosed is a method of making the chelating agents and a method of producing a known compound, 3-hydroxy-1-alkyl-2(1H)pyridinone, used as a precursor to the chelating agent, safely and in large quantities.

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

    PubMed

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

    1992-05-01

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

  11. Optical resolution by preferential crystallization of (1RS,3RS)-1,2,3,4-tetrahydro-6,7-dihydroxy-1-methyl-3-isoquinolinecarboxylic acid.

    PubMed

    Shiraiwa, Tadashi; Kiyoe, Ryuuichi

    2005-09-01

    The racemic structure of (1RS,3RS)-1,2,3,4-tetrahydro-6,7-dihydroxy-1-methyl-3-isoquinolinecarboxylic acid [(1RS,3RS)-1] was examined based on the melting point, solubility, and IR spectrum, with the aim of optical resolution by preferential crystallization. (1RS,3RS)-1 was indicated from these results to exist as a conglomerate. The successive optical resolution by preferential crystallization of (1RS,3RS)-1 yielded (1S,3S)- and (1R,3R)-1 with optical purities of 85--95% at 66--81% degrees of resolution, which were fully purified by recrystallization.

  12. 40 CFR 721.8250 - 1-Propanol, 3,3′-oxybis[2,2-bis(bromomethyl)-.

    Code of Federal Regulations, 2010 CFR

    2010-07-01

    ... 40 Protection of Environment 30 2010-07-01 2010-07-01 false 1-Propanol, 3,3â²-oxybis[2,2-bis... Specific Chemical Substances § 721.8250 1-Propanol, 3,3′-oxybis[2,2-bis(bromomethyl)-. (a) Chemical substance and significant new uses subject to reporting. (1) The chemical substance identified as...

  13. 40 CFR 721.8250 - 1-Propanol, 3,3′-oxybis[2,2-bis(bromomethyl)-.

    Code of Federal Regulations, 2011 CFR

    2011-07-01

    ... 40 Protection of Environment 31 2011-07-01 2011-07-01 false 1-Propanol, 3,3â²-oxybis[2,2-bis... Specific Chemical Substances § 721.8250 1-Propanol, 3,3′-oxybis[2,2-bis(bromomethyl)-. (a) Chemical substance and significant new uses subject to reporting. (1) The chemical substance identified as...

  14. Characterizing xBa(Mg1/3Ta2/3)O3+(1-x )Ba(Mg1/3Nb2/3)O3 microwave ceramics using extended x-ray absorption fine structure method

    NASA Astrophysics Data System (ADS)

    Chang, P.-J.; Chia, C.-T.; Lin, I.-N.; Lee, J.-F.; Lin, C. M.; Wu, K. T.

    2006-06-01

    The structures of TaO6 and NbO6 oxygen octahedra in xBa(Mg1/3Ta2/3)O3+(1-x )Ba(Mg1/3Nb2/3)O3 perovskite ceramics with x =0, 0.25, 0.50, 0.75, and 1.0 were investigated by the extended x-ray absorption fine structure method. The decline in the microwave dielectric constant as x increases is caused mainly by the decrease of the mean volume of the oxygen octahedra, regardless of the 1:2 ordered structure and the distortion of the oxygen octahedron. The low Qf values of the TaO6 and NbO6 mixed samples are caused by not only the degrading of the 1:2 ordered structure but also the distortion of oxygen octahedral cages.

  15. Dielectric relaxation in 0-3 PVDF-Ba(Fe1/2Nb1/2)O3 composites

    NASA Astrophysics Data System (ADS)

    Chandra, K. P.; Singh, Rajan; Kulkarni, A. R.; Prasad, K.

    2016-05-01

    (1-x)PVDF-xBa(Fe1/2Nb1/2)O3 ceramic-polymer composites with x = 0.025, 0.05, 0.10, 0.15 were prepared using melt-mixing technique. The crystal symmetry, space group and unit cell dimensions were determined from the XRD data of Ba(Fe1/2Nb1/2)O3 using FullProf software, whereas crystallite size and lattice strain were estimated using Williamson-Hall approach. The distribution of Ba(Fe1/2Nb1/2)O3 particles in the PVDF matrix were examined on the cryo-fractured surfaces using a scanning electron microscope. Cole-Cole and pseudo Cole-Cole analysis suggested the dielectric relaxation in this system to be of non-Debye type. Filler concentration dependent real and imaginary parts of dielectric constant as well as ac conductivity data followed definite trends of exponential growth types of variation.

  16. (Z)-3-(1-Methyl-1H-indol-3-yl)-2-(thiophen-3-yl)acrylonitrile.

    PubMed

    Sonar, Vijayakumar N; Parkin, Sean; Crooks, Peter A

    2004-03-01

    The title compound, C16H12N2S, has been synthesized by base-catalyzed condensation of 1-methylindole-3-carboxaldehyde with thiophene-3-acetonitrile. The product assumes an approximately planar Z configuration. The molecule has a thienyl-ring flip disorder.

  17. Electrical properties of Ba(Dy1/2Nb1/2)O3 ceramic

    NASA Astrophysics Data System (ADS)

    Nath, K. Amar; Chandra, K. P.; Dubey, K.; Prasad, K.

    2016-05-01

    Polycrystalline Ba(Dy1/2Nb1/2)O3 was prepared using a high-temperature solid-state reaction method. X-ray diffraction analysis indicated the formation of a single-phase cubic structure having space group Pm3m. AC impedance plots as a function of frequency at different temperatures were used to analyse the electrical behaviour of the sample, which indicated the negative temperature coefficient of resistance character. Complex impedance analysis targeted non-Debye type dielectric relaxation. Frequency dependent ac conductivity data obeyed Jonscher's power law. The apparent activation energy was estimated to be 0.97 eV at 1 kHz.

  18. Indeno[1,2,3-cd]pyrene

    Integrated Risk Information System (IRIS)

    Indeno [ 1,2,3 - cd ] pyrene ; CASRN 193 - 39 - 5 Human health assessment information on a chemical substance is included in the IRIS database only after a comprehensive review of toxicity data , as outlined in the IRIS assessment development process . Sections I ( Health Hazard Assessments for Nonc

  19. Graphing Online Searches with Lotus 1-2-3.

    ERIC Educational Resources Information Center

    Persson, Olle

    1986-01-01

    This article illustrates how Lotus 1-2-3 software can be used to create graphs using downloaded online searches as raw material, notes most commands applied, and outlines three required steps: downloading, importing the downloading file into the worksheet, and making graphs. An example in bibliometrics and sample graphs are included. (EJS)

  20. Multiplex detection of Solenopsis invicta viruses -1, -2, and -3

    Technology Transfer Automated Retrieval System (TEKTRAN)

    A multiplex polymerase chain reaction (PCR) method was developed to detect simultaneously Solenopsis invicta viruses -1, -2, and -3 in their host, the red imported fire ant, Solenopsis invicta. cDNA synthesis was conducted in a single reaction containing three oligonucleotide primers specific for ...

  1. Diffusion of benzoic acid (1); carbon dioxide (2); methanol (3)

    NASA Astrophysics Data System (ADS)

    Winkelmann, J.

    This document is part of Subvolume A `Gases in Gases, Liquids and their Mixtures' of Volume 15 `Diffusion in Gases, Liquids and Electrolytes' of Landolt-Börnstein Group IV `Physical chemistry'. It is part of the chapter of the chapter `Diffusion in Pure Gases' and contains data on diffusion of (1) benzoic acid; (2) carbon dioxide; (3) methanol

  2. LOTUS 1-2-3 Macros for Library Applications.

    ERIC Educational Resources Information Center

    Howden, Norman

    1987-01-01

    Describes LOTUS 1-2-3, an advanced spreadsheet with database and text manipulation functions that can be used with microcomputers by librarians to provide customized calculation and data acquisition tools. Macro commands and the menu system are discussed, and an example is given of an invoice procedure. (Author/LRW)

  3. (Z)-2-(1-Phenylsulfonyl-1H-indol-3-ylmethylene)-1-azabicyclo[2.2.2]octan-3-one and (Z)-(S)-2-(1-phenylsulfonyl-1H-indol-3-ylmethylene)-1-azabicyclo[2.2.2]octan-3-ol.

    PubMed

    Sonar, Vijayakumar N; Parkin, Sean; Crooks, Peter A

    2004-09-01

    The title compounds, C22H20N2O3S, (I), and C22H22N2O3S, (II), crystallize in space groups P-1 and P2(1)2(1)2(1), respectively. The indole rings are planar and the benzene ring of the phenylsulfonyl group makes a dihedral angle with the mean plane of the indole ring of 90.2 (2) degrees in (I) and 94.0 (2) degrees in (II). In both molecules, the double bond connecting the aza-bicyclic and indole moieties has a Z geometry. Compound (II) was obtained as an enantiomerically pure crystal and has the 3S configuration.

  4. Microwave Dielectric Properties for Ba(Mg1/3Ta2/3)O3 A(Mg1/2W1/2)O3 (A=Ba, Sr, and Ca) Ceramics

    NASA Astrophysics Data System (ADS)

    Furuya, Mitsuru; Ochi, Atsushi

    1994-09-01

    For a high-Q dielectric resonator at microwave frequencies, complex perovskite-structured Ba(Mg1/3Ta2/3)O3 A(Mg1/2W1/2)O3 (A=Ba, Sr, and Ca) ceramics have been developed. A(Mg1/2W1/2)O3 effects on the crystal structure, microstructure, and microwave characteristic of Ba(Mg1/3Ta2/3)O3 (BMT) were investigated. Ba(Mg1/2W1/2)O3 (BMW) decreased the temperature coefficient of resonant frequency ( TCF) for BMT. Sr(Mg1/2W1/2)O3 (SMW) and Ca(Mg1/2W1/2)O3 (CMW) increased it. Zero TCF was obtained for the BMT/BMW=95/5 composition. With 0.5 mol% BMW content, dielectric loss quality, Q d, reached a maximum (40000 at 10 GHz).

  5. Synthesis of 1H-indole-2,3-dione-3-thiosemicarbazone ribonucleosides as antibacterial agents.

    PubMed

    Kassab, Shaymaa E; Hegazy, Gehan H; Eid, Nahed M; Amin, Kamelia M; El-Gendy, Adel A

    2010-01-01

    A new isatin ribonucleoside (3) was synthesized in a good yield by trimethylsilyl trifluoromethanesulfonate (TMSOTf) catalyzed coupling reaction between the silylated nitrogenated base of 1H-Indole-2,3-dione (1) and 1,2,3,5-tetra-O-acetyl-beta-D-ribfuranose (2). Thiosemicarbazides 4a-e were utilized by the prepared ribonucleoside (3) to give new series of 1H-indole-2,3-dione-3-thiosemicarbazone ribonucleosides 5a-e. All compounds tested as antibacterial agents showed slight inhibitory activity against the selected bacterial strains.

  6. Preparation and properties of polyformals obtained from 2,2-bis(4-hydroxyphenyl)-1,1,1,3,3,3,-hexafluoropropane and dichloromethane

    SciTech Connect

    Nakamura, S.; Suzuki, Y.; Tamura, E.; Kuriki, M.; Saegusa, Y.

    1993-12-31

    Fluorine-containing aromatic polyformal and copolyformals were prepared from 2,2-bis(4-hydroxyphenyl)-1,1,1,3,3,3,-hexafluoropropane (bis-phenol AF) and/or 2,2-bis(4-hydroxyphenyl)-propane (bisphenol A) with dichloromethane. High molecular-weight polyformal and copolyformals were obtained by using NMP as solvent and in the presence of KOH. The thermal stability was lowered with increasing fluorine content. The Tg increased monotonically with fluorine content from 89{degrees}C for bisphenol A polyformal to 17{degrees}C for bisphenol AF polyformal. Bisphenol a polyformal was soluble in limited solvents, whereas bisphenol AF polyformal was soluble in a wide variety of solvents such aprotic polar solvents, aromatic solvents and chlorinated hydrocarbons.

  7. (2Z)-3-Hy­droxy-1-(pyridin-2-yl)-3-(pyridin-3-yl)prop-2-en-1-one: crystal structure and Hirshfeld surface analysis

    PubMed Central

    Lee, Sze-Ling; Tan, Ai Ling; Young, David J.; Jotani, Mukesh M.; Tiekink, Edward R. T.

    2016-01-01

    The title compound, C13H10N2O2 [also called 1-(pyridin-2-yl)-3-(pyridin-3-yl)propane-1,3-dione], features an almost planar (r.m.s. deviation = 0.0095 Å) central C3O2 core consolidated by an intra­molecular hy­droxy-O—H⋯O(carbon­yl) hydrogen bond. Twists are evident in the mol­ecule, as seen in the dihedral angles between the central core and the 2- and pyridin-3-yl rings of 8.91 (7) and 15.88 (6)°, respectively. The conformation about the C=C bond [1.3931 (17) Å] is Z, and the N atoms lie to the same side of the mol­ecule. In the mol­ecular packing, supra­molecular chains along the a axis are mediated by π(pyridin-2-yl)–π(pyridin-3-yl) inter­actions [inter-centroid distance = 3.7662 (9) Å]. The observation that chains pack with no directional inter­actions between them is consistent with the calculated electrostatic potential, which indicates that repulsive inter­actions dominate. PMID:27308057

  8. (2Z)-3-Hy-droxy-1-(pyridin-2-yl)-3-(pyridin-3-yl)prop-2-en-1-one: crystal structure and Hirshfeld surface analysis.

    PubMed

    Lee, Sze-Ling; Tan, Ai Ling; Young, David J; Jotani, Mukesh M; Tiekink, Edward R T

    2016-06-01

    The title compound, C13H10N2O2 [also called 1-(pyridin-2-yl)-3-(pyridin-3-yl)propane-1,3-dione], features an almost planar (r.m.s. deviation = 0.0095 Å) central C3O2 core consolidated by an intra-molecular hy-droxy-O-H⋯O(carbon-yl) hydrogen bond. Twists are evident in the mol-ecule, as seen in the dihedral angles between the central core and the 2- and pyridin-3-yl rings of 8.91 (7) and 15.88 (6)°, respectively. The conformation about the C=C bond [1.3931 (17) Å] is Z, and the N atoms lie to the same side of the mol-ecule. In the mol-ecular packing, supra-molecular chains along the a axis are mediated by π(pyridin-2-yl)-π(pyridin-3-yl) inter-actions [inter-centroid distance = 3.7662 (9) Å]. The observation that chains pack with no directional inter-actions between them is consistent with the calculated electrostatic potential, which indicates that repulsive inter-actions dominate. PMID:27308057

  9. Fragrance material review on 3-methyl-5-(2,2,3-trimethyl-3-cyclopenten-1-yl)pent-3-en-2-one.

    PubMed

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

    2013-12-01

    A toxicologic and dermatologic review of 3-methyl-5-(2,2,3-trimethyl-3-cyclopenten-1-yl)pent-3-en-2-one when used as a fragrance ingredient is presented. 3-Methyl-5-(2,2,3-trimethyl-3-cyclopenten-1-yl)pent-3-en-2-one is a member of the fragrance structural group Alkyl Cyclic Ketones. These fragrances can be described as being composed of an alkyl, R1, and various substituted and bicyclic saturated or unsaturated cyclic hydrocarbons, R2, in which one of the rings may include up to 12 carbons. Alternatively, R2 may be a carbon bridge of C2-C4 carbon chain length between the ketone and cyclic hydrocarbon. This review contains a detailed summary of all available toxicology and dermatology papers that are related to this individual fragrance ingredient and is not intended as a stand-alone document. Available data for 3-methyl-5-(2,2,3-trimethyl-3-cyclopenten-1-yl)pent-3-en-2-one were evaluated then summarized and includes physical properties, acute toxicity, skin irritation, mucous membrane (eye) irritation, sensitization, phototoxicity, photoallergy, and genotoxicity data. A safety assessment of the entire Alkyl Cyclic Ketones will be published simultaneously with this document; please refer to Belsito et al. (Belsito, D., Bickers, D., Bruze, M., Calow, P., Dagli, M., Fryer, A.D., Greim, H., Miyachi, Y., Saurat, J.H., Sipes, I.G., 2013. A Toxicologic and Dermatologic Assessment of Alkyl Cyclic Ketones when used as fragrance ingredients. Submitted for publication) for an overall assessment of the safe use of this material and all Alkyl Cyclic Ketones in fragrances.

  10. Electron-impact excitation of the Rb 7 2S1/2, 8 2S1/2, 5 2D3/2, and 6 2D3/2 states

    NASA Astrophysics Data System (ADS)

    Wei, Zuyi; Flynn, Connor; Redd, Aaron; Stumpf, Bernhard

    1993-03-01

    Electron-impact cross sections for excitation of the 7 2S1/2, 8 2S1/2, 5 2D3/2, and 6 2D3/2 states of rubidium have been measured from threshold to 1000 eV. The optical-excitation-function method has been employed in a crossed atom- and electron-beam apparatus. Relative, total (cascade including) experimental cross sections are made absolute by comparison with the known total cross section of the Rb D1 line. Total excitation cross sections are compared with theoretical calculations employing first Born approximation and theoretical branching ratios. Born cross sections for the 7 2S1/2 and 8 2S1/2 states are obtained from the literature, while Born cross sections for the 5 2D3/2, 6 2D3/2, and all cascading states are calculated in this paper. At high energies, the measured total 2D3/2 state cross sections show 1/E behavior and converge to first Born theory; for E>100 eV, experiment and theory agree within 6.7% for 5 2D3/2 and within 3.7% for 6 2D3/2. The total cross sections for the 2S1/2 states do not converge to Born theory even at 1000 eV, and it is shown that this cannot be attributed to cascading. At low energies, 2S1/2 and 2D3/2 state total excitation cross sections have similar shapes with sharply peaked maxima at about 0.9 eV above threshold. After cascading is corrected using first Born theory, estimated experimental cross sections for direct excitation of higher fine-structure states of rubidium are given.

  11. 40 CFR 721.1637 - 1,2-Propanediol, 3-(2-propenyloxy)-, bis(4-methylbenzene sulfonate); 2-propanol, 1-[2-[[(4...

    Code of Federal Regulations, 2010 CFR

    2010-07-01

    ... 40 Protection of Environment 30 2010-07-01 2010-07-01 false 1,2-Propanediol, 3-(2-propenyloxy)-, bis(4-methylbenzene sulfonate); 2-propanol, 1- oxy]ethoxy]-3-(2-propenyloxy)-4-methylbenzenesulfonate... Substances § 721.1637 1,2-Propanediol, 3-(2-propenyloxy)-, bis(4-methylbenzene sulfonate); 2-propanol, 1-...

  12. 40 CFR 721.1637 - 1,2-Propanediol, 3-(2-propenyloxy)-, bis(4-methylbenzene sulfonate); 2-propanol, 1-[2-[[(4...

    Code of Federal Regulations, 2011 CFR

    2011-07-01

    ... 40 Protection of Environment 31 2011-07-01 2011-07-01 false 1,2-Propanediol, 3-(2-propenyloxy)-, bis(4-methylbenzene sulfonate); 2-propanol, 1- oxy]ethoxy]-3-(2-propenyloxy)-4-methylbenzenesulfonate... Substances § 721.1637 1,2-Propanediol, 3-(2-propenyloxy)-, bis(4-methylbenzene sulfonate); 2-propanol, 1-...

  13. Synthesis, molecular structure and vibrational spectra of 1,3-bis(1-adamantyl)-2-phenylpropan-1,3-diones

    NASA Astrophysics Data System (ADS)

    Babjaková, Eva; Dastychová, Lenka; Hanulíková, Barbora; Kuřitka, Ivo; Nečas, Marek; Vašková, Hana; Vícha, Robert

    2015-04-01

    The interest in the oxo-enol tautomerism of 1,3-dioxo compounds is justified by their usefulness in many synthetic fields. A series of new 1,3-bis(1-adamantyl)propan-1,3-diones with a variably substituted phenyl ring at the C2 position was prepared either by the reaction of an appropriate Grignard reagent with adamatane-1-carbonyl chloride or by SEAr on the unsubstituted 1,3-bis(1-adamantyl)-2-phenylpropan-1,3-dione. In addition to the single crystal X-ray diffraction analysis of three of the prepared compounds, the experimental 1H and 13C NMR, IR and Raman spectroscopic data were assigned and compared to those obtained by DFT computations. In the solid state, the syn-dioxo forms were exclusively observed, which are shown to also predominate in CHCl3 solutions. The analysis of the Hirshfeld surface revealed that H⋯H and O⋯H contacts dominate the intermolecular interactions in the solid state, whereas π⋯π stacking plays a marginal role.

  14. Chiral 2 + 3 Keto-Enamine Pseudocyclophanes Derived from 1,3,5-Triformylphloroglucinol.

    PubMed

    Kieryk, Przemysław; Janczak, Jan; Panek, Jarosław; Miklitz, Marcin; Lisowski, Jerzy

    2016-01-01

    The reactions of 1,3,5-triformylphloroglucinol with (1R,2R)-1,2-diaminocyclohexane, (1R,2R)-1,2-diphenylethylenediamine, or (R)-2,2'-diamino-1,1'-binaphthyl result in the formation of enantiopure [2 + 3] keto-enamine condensation products, in contrast to analogous reactions of 1,3,5-triformylbenzene, where [4 + 6] Schiff base cages are formed. The X-ray crystal structure of the diaminocyclohexane 2 + 3 derivative as well as modeled structures of other compounds of this type show cyclophane-like molecules with close contact between the phloroglucinol rings. Density Functional Theory (DFT) calculations confirm that there is a sizable π-π interaction between these rings influencing the conformation of these molecules. PMID:26653342

  15. 40 CFR 721.10185 - 1,2-Propanediol, 3-(diethylamino)-, polymers with 5-isocyanato-1- (isocyanatomethyl)-1,3,3...

    Code of Federal Regulations, 2011 CFR

    2011-07-01

    ... 40 Protection of Environment 31 2011-07-01 2011-07-01 false 1,2-Propanediol, 3-(diethylamino)-, polymers with 5-isocyanato-1- (isocyanatomethyl)-1,3,3-trimethylcyclohexane, propylene glycol and reduced Me esters of reduced polymd. oxidized tetrafluoroethylene, 2-ethyl-1-hexanol-blocked, acetates (salts). 721.10185 Section 721.10185 Protection...

  16. 40 CFR 721.10185 - 1,2-Propanediol, 3-(diethylamino)-, polymers with 5-isocyanato-1- (isocyanatomethyl)-1,3,3...

    Code of Federal Regulations, 2013 CFR

    2013-07-01

    ... 40 Protection of Environment 32 2013-07-01 2013-07-01 false 1,2-Propanediol, 3-(diethylamino)-, polymers with 5-isocyanato-1- (isocyanatomethyl)-1,3,3-trimethylcyclohexane, propylene glycol and reduced Me esters of reduced polymd. oxidized tetrafluoroethylene, 2-ethyl-1-hexanol-blocked, acetates (salts). 721.10185 Section 721.10185 Protection...

  17. 40 CFR 721.10185 - 1,2-Propanediol, 3-(diethylamino)-, polymers with 5-isocyanato-1- (isocyanatomethyl)-1,3,3...

    Code of Federal Regulations, 2014 CFR

    2014-07-01

    ... 40 Protection of Environment 31 2014-07-01 2014-07-01 false 1,2-Propanediol, 3-(diethylamino)-, polymers with 5-isocyanato-1- (isocyanatomethyl)-1,3,3-trimethylcyclohexane, propylene glycol and reduced Me esters of reduced polymd. oxidized tetrafluoroethylene, 2-ethyl-1-hexanol-blocked, acetates (salts). 721.10185 Section 721.10185 Protection...

  18. 40 CFR 721.10185 - 1,2-Propanediol, 3-(diethylamino)-, polymers with 5-isocyanato-1- (isocyanatomethyl)-1,3,3...

    Code of Federal Regulations, 2012 CFR

    2012-07-01

    ... 40 Protection of Environment 32 2012-07-01 2012-07-01 false 1,2-Propanediol, 3-(diethylamino)-, polymers with 5-isocyanato-1- (isocyanatomethyl)-1,3,3-trimethylcyclohexane, propylene glycol and reduced Me esters of reduced polymd. oxidized tetrafluoroethylene, 2-ethyl-1-hexanol-blocked, acetates (salts). 721.10185 Section 721.10185 Protection...

  19. The first 1-alkyl-3-perfluoroalkyl-4,5- dimethyl-1,2,4-triazolium salts.

    PubMed

    Xue, Hong; Twamley, Brendan; Shreeve, Jean'ne M

    2004-02-20

    Syntheses of quaternary 1-alkyl-3-perfluoroalkyl-4,5-dimethyl-1,2,4-triazolium iodides have led to a variety of new quaternary salts via metathesis reactions. 1,4,5-Trimethyl-3-trifluoro-methyl-1,2,4-triazolium iodide (6) with LiN(SO(2)CF(3))(2), KSO(3)CF(3), AgClO(4), AgBF(4); 1-(3-fluoropropyl)-3-trifluoromethyl-4,5-dimethyl-1,2,4-triazolium iodide (7) with LiN(SO(2)CF(3))(2); and 1,4,5-trimethyl-3-perfluorooctyl-1,2,4-triazolium iodide (8) with LiN(SO(2)CF(3))(2), AgClO(4), AgBF(4) gave excellent yields of new thermally stable and relatively low melting quaternary salts. The structure of 1,4,5-trimethyl-3-perfluorooctyl-1,2,4-triazolium tetrafluoroborate (11c) was confirmed by single-crystal X-ray analysis. Although the molecular weight of 11c (cation) is 3-fold greater than that of the 3-trifluoromethyl derivative 9d, its melting point is 32 degrees C lower.

  20. Host cells and methods for producing 3-methyl-2-buten-1-ol, 3-methyl-3-buten-1-ol, and 3-methyl-butan-1-ol

    DOEpatents

    Chou, Howard H.; Keasling, Jay D.

    2011-07-26

    The invention provides for a method for producing a 5-carbon alcohol in a genetically modified host cell. In one embodiment, the method comprises culturing a genetically modified host cell which expresses a first enzyme capable of catalyzing the dephosphorylation of an isopentenyl pyrophosphate (IPP) or dimethylallyl diphosphate (DMAPP), such as a Bacillus subtilis phosphatase (YhfR), under a suitable condition so that 5-carbon alcohol is 3-methyl-2-buten-1-ol and/or 3-methyl-3-buten-1-ol is produced. Optionally, the host cell may further comprise a second enzyme capable of reducing a 3-methyl-2-buten-1-ol to 3-methyl-butan-1-ol, such as a reductase.

  1. Dielectric properties of (1- x)SrFe1/2Nb1/2O3- xBaZn1/3Ta2/3O3 ceramics

    NASA Astrophysics Data System (ADS)

    Phatungthane, Thanatep; Rujijanagul, Gobwute

    2013-07-01

    In this work, (1- x)SrFe1/2Nb1/2O3- xBaZn1/3Ta2/3O3 ((1- x)SFN- xBZT) ceramics with 0.02 ≤ x ≤ 0.11 were synthesized via a solid state reaction method. A phase formation analysis using the x-ray diffraction technique (XRD) showed that the ceramic samples exhibited a pure phase perovskite for x ≤ 0.10 compositions, indicating that the solubility limit of BZT in SFN is very low. Adding BZT enhanced the dielectric constant and reduced the dielectric loss. Very high dielectric constants (>40,000) were observed for the x = 0.10 samples. The dielectric property investigation also revealed that all samples exhibited dielectric relaxor behavior.

  2. (E)-2-Methyl-3-(2-methyl-2-nitrovinyl)-1H-indole and (E)-3-(2-methyl-2-nitrovinyl)-2-phenyl-1H-indole.

    PubMed

    Sonar, Vijayakumar N; Parkin, Sean; Crooks, Peter A

    2005-08-01

    In the title compounds, C12H12N2O2, (I), and C17H14N2O2, (II), respectively, the indole rings are planar and the vinyl groups lie out of the indole planes, making dihedral angles of 33.48 (5) and 41.31 (8) degrees , respectively. In (II), the dihedral angle between the phenyl and indole ring planes is 32.06 (6) degrees . In both molecules, the double bond connecting the methylnitrovinyl group and the indole nucleus adopts an E configuration. Notwithstanding the differences in space group [C2/c for (I) and P2(1)2(1)2(1) for (II)], the mode of packing of compounds (I) and (II) is determined by similar intermolecular N-H...O hydrogen-bonding interactions, forming chains that run parallel to [101] in (I) and [001] in (II).

  3. AC conductivity and relaxation mechanism in (Nd1/2Li1/2)(Fe1/2V1/2)O3 ceramics

    NASA Astrophysics Data System (ADS)

    Nath, Susmita; Barik, Subrat Kumar; Choudhary, R. N. P.

    2016-05-01

    In the present study we have synthesized polycrystalline sample of (Nd1/2Li1/2)(Fe1/2V1/2)O3 ceramic by a standard high-temperature solid-state reaction technique. Studies of dielectric and electrical properties of the compound have been carried out in a wide range of temperature (RT - 400 °C) and frequency (1kHz - 1MHz) using complex impedance spectroscopic technique. The imaginary vs. real component of the complex impedance plot (Nyquist plot) of the prepared sample exhibits the existence of grain, grain boundary contributions in the complex electrical parameters and negative temperature coefficient of resistance (NTCR) type behavior like semiconductor. Details study of ac conductivity plot reveals that the material obeys universal Jonscher's power law.

  4. 1-(Fluoren-2-yl)-2-(2-azafluoren-3-yl)ethene and 1-(fluoren-2-yl)-2-(2H,2-methylindeno(2,3-c)pyridine)ethene

    SciTech Connect

    Prostakov, N.S.; Obynochnyi, A.A.; Murugova, L.A.

    1987-11-01

    Condensation of 3-methyl-2-azafluorene with 2-formylfluorene results in the formation of a compound containing a polyconjugated system and two acidic CH centers, namely, 1-(fluoren-2-yl)-2-(2-azafluoren-3-yl)ethene. The conversions of this compound upon treatment with alkali have been studied by electronic absorption spectroscopy. The methyl iodide derivative of this base was used as an intermediate in the preparation of a pseudo-azulene, 1-(fluoren-2-yl)-2-(2H,2-methylindeno(2,3-c)pyridine)ethene.

  5. Enrichment and properties of an anaerobic mixed culture reductively dechlorinating 1,2,3-trichlorobenzene to 1,3-dichlorobenzene

    SciTech Connect

    Holliger, C.; Schraa, G.; Stams, A.J.M.; Zehnder, A.J.B. )

    1992-05-01

    Hexachlorobenzene (HCB), pentachlorobenzene (QCB), all three isomers of tetrachlorobenzene (TeCB), 1,2,3-trichlorobenzene (1,2,3-TCB), and 1,2,4-TCB were reductively dechlorinated by enrichment cultures in the presence of lactate, glucose, ethanol, or isopropanol as the electron donor. The enrichment cultures originated from percolation columns filled with Rhine River sediment in which dechlorination of TCBs and dichlorobenzenes (DCBs) occurred. A stable consortium obtained by transfer on lactate as the energy and carbon source in the presence of 1,2,3-TCB dechlorinated this isomer stoichiometrically to 1,3-DCB. Dechlorinating activity could only be maintained when an electron donor was added. Lactate, ethanol, and hydrogen appeared to be the best substrates. Optimal temperature and pH for dechlorination were 30 C and 7.2, respectively. The specificity of the enrichment on lactate and 1,2,3-TCB was tested after approximately 60 transfers (after 2.5 years). HCB and QCB were stoichiometrically dechlorinated to 1,3,5-TCB and minor amounts of 1,2,4-TCB. 1,3,5-TCB was the sole product formed from 1,2,3,5-TeCB, while 1,2,3,4-TeCB and 1,2,4,5-TeCB were converted to 1,2,4-TCB. 1,2,4-TCB, 1,3,5-TCB, and the three isomers of DCB were not dechlorinated during 4 weeks of incubation. For further enrichment of the 1,2,3-TCB-dechlorinating bacteria, a two-liquid-phase (hexadecane-water) system was used with hydrogen as the electron donor and 1,2,3-TCB or CO[sub 2] as the electron acceptor. Methanogens and acetogens were the major substrate-competing (H[sub 2]-CO[sub 2]) microorganisms in the two-liquid-phase system.

  6. 38. View of DRS 1, 2, and 3 (structure nos. ...

    Library of Congress Historic Buildings Survey, Historic Engineering Record, Historic Landscapes Survey

    38. View of DRS 1, 2, and 3 (structure nos. 735, 736, and 737) console fault locator for beam power status, radio frequency (RF) and intermediate frequency (IF) fault conditions, RF switches status and TR status. - Clear Air Force Station, Ballistic Missile Early Warning System Site II, One mile west of mile marker 293.5 on Parks Highway, 5 miles southwest of Anderson, Anderson, Denali Borough, AK

  7. Fragrance material review on 3-methyl-2-(2-pentenyl)-2-cyclopenten-1-one.

    PubMed

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

    2012-10-01

    A toxicologic and dermatologic review of 3-methyl-2-(2-pentenyl)-2-cyclopenten-1-one when used as a fragrance ingredient is presented. 3-methyl-2-(2-pentenyl)-2-cyclopenten-1-one is a member of the fragrance structural group ketones cyclopentanones and cyclopentenones. The common characteristic structural element of the group members is a cyclopentanone or cyclopentenone ring with a straight or branched chain alkane or alkene substituent. This review contains a detailed summary of all available toxicology and dermatology papers that are related to this individual fragrance ingredient and is not intended as a stand-alone document. Available data for 3-methyl-2-(2-pentenyl)-2-cyclopenten-1-one were evaluated then summarized and includes physical properties data. A safety assessment of the entire ketones cyclopentanones and cyclopentenones will be published simultaneously with this document; please refer to Belsito et al. (2012) for an overall assessment of the safe use of this material and all ketones cyclopentanones and cyclopentenones in fragrances.

  8. 5-Iodo-3-phenyl-2,1-benzoxazole.

    PubMed

    Teslenko, Yuriy; Matiychuk, Vasyl S; Kinzhybalo, Vasyl; Lis, Tadeusz; Obushak, Mykola D

    2013-04-01

    The title compound, C13H8INO, was prepared by a condensation reaction of 4-nitro-benzene with phenyl-acetonitrile in NaOH-ethanol solution. There are two independent mol-ecules in the asymmetric unit, in which the dihedral angles between the benzene ring and the benzoisoxazole unit are 4.2 (3) and 4.1 (3)°. The crystal packing is governed by C-H⋯N, C-I⋯π and C-I⋯O inter-actions.

  9. Optically active antifungal azoles. IV. Synthesis and antifungal activity of (2R,3R)-3-azolyl-2-(substituted phenyl)-1-(1H-1,2,4-triazol-1-yl)-2-butanols.

    PubMed

    Tasaka, A; Tamura, N; Matsushita, Y; Kitazaki, T; Hayashi, R; Okonogi, K; Itoh, K

    1995-03-01

    (2R,3R)-3-Azolyl-2-(substituted phenyl)-1-(1H-1,2,4-triazol-1-yl)-2-butanols (III) were prepared from (2R,3S)-3-methyl-2-(substituted phenyl)-2-(1H-1,2,4-triazol-1-yl)methyloxiranes (21a-f) by a ring-opening reaction with 1H-1,2,3-triazole and 1H-tetrazole and evaluated for antifungal activity against Candida albicans in vitro and in vivo. The optically active oxiranes (21a--f) which serve as the key synthetic intermediates, were synthesized from 1-[(2R)-2-(3,4,5,6-tetrahydro-2H-pyran-2-yl)oxypropanoyl]morpholin e (24) and substituted phenylmagnesium bromide (23) via six steps in a stereocontrolled manner. The 3-(1H-1,2,3,-triazol-1-yl)-(IIIa) and 3-(2H-2-tetrazolyl)-2-butanol (IIId) derivatives showed strong protective effects against candidosis in mice.

  10. 40 CFR 721.7280 - 1,3-Propanediamine, N,N′-1,2-ethanediylbis-, polymer with 2,4,6-trichloro-1,3,5-triazine...

    Code of Federal Regulations, 2011 CFR

    2011-07-01

    ...-ethanediylbis-, polymer with 2,4,6-trichloro-1,3,5-triazine, reaction products with N-butyl-2,2,6,6-tetramethyl...-, polymer with 2,4,6-trichloro-1,3,5-triazine, reaction products with N-butyl-2,2,6,6-tetramethyl-4..., reaction products with N-butyl-2,2,6,6-tetramethyl-4-piperidinamine (PMN P-89-632) is subject to...

  11. 40 CFR 721.7280 - 1,3-Propanediamine, N,N′-1,2-ethanediylbis-, polymer with 2,4,6-trichloro-1,3,5-triazine...

    Code of Federal Regulations, 2010 CFR

    2010-07-01

    ...-ethanediylbis-, polymer with 2,4,6-trichloro-1,3,5-triazine, reaction products with N-butyl-2,2,6,6-tetramethyl...-, polymer with 2,4,6-trichloro-1,3,5-triazine, reaction products with N-butyl-2,2,6,6-tetramethyl-4..., reaction products with N-butyl-2,2,6,6-tetramethyl-4-piperidinamine (PMN P-89-632) is subject to...

  12. 40 CFR 721.7280 - 1,3-Propanediamine, N,N′-1,2-ethanediylbis-, polymer with 2,4,6-trichloro-1,3,5-triazine...

    Code of Federal Regulations, 2012 CFR

    2012-07-01

    ...-ethanediylbis-, polymer with 2,4,6-trichloro-1,3,5-triazine, reaction products with N-butyl-2,2,6,6-tetramethyl...-, polymer with 2,4,6-trichloro-1,3,5-triazine, reaction products with N-butyl-2,2,6,6-tetramethyl-4..., reaction products with N-butyl-2,2,6,6-tetramethyl-4-piperidinamine (PMN P-89-632) is subject to...

  13. 40 CFR 721.7280 - 1,3-Propanediamine, N,N′-1,2-ethanediylbis-, polymer with 2,4,6-trichloro-1,3,5-triazine...

    Code of Federal Regulations, 2013 CFR

    2013-07-01

    ...-ethanediylbis-, polymer with 2,4,6-trichloro-1,3,5-triazine, reaction products with N-butyl-2,2,6,6-tetramethyl...-, polymer with 2,4,6-trichloro-1,3,5-triazine, reaction products with N-butyl-2,2,6,6-tetramethyl-4..., reaction products with N-butyl-2,2,6,6-tetramethyl-4-piperidinamine (PMN P-89-632) is subject to...

  14. 40 CFR 721.7280 - 1,3-Propanediamine, N,N′-1,2-ethanediylbis-, polymer with 2,4,6-trichloro-1,3,5-triazine...

    Code of Federal Regulations, 2014 CFR

    2014-07-01

    ...-ethanediylbis-, polymer with 2,4,6-trichloro-1,3,5-triazine, reaction products with N-butyl-2,2,6,6-tetramethyl...-, polymer with 2,4,6-trichloro-1,3,5-triazine, reaction products with N-butyl-2,2,6,6-tetramethyl-4..., reaction products with N-butyl-2,2,6,6-tetramethyl-4-piperidinamine (PMN P-89-632) is subject to...

  15. High sensitivity cavity ring down spectroscopy of the 3ν1+3ν23 band of NO2 near 7587 cm-1

    NASA Astrophysics Data System (ADS)

    Lukashevskaya, A. A.; Naumenko, O. V.; Mondelain, D.; Kassi, S.; Campargue, A.

    2016-07-01

    The very weak 3ν1+3ν23 absorption band of the main isotopologue of nitrogen dioxide, 14N16O2, is investigated for the first time near 7587 cm-1. The absorption spectrum was recorded by high sensitivity Continuous Wave-Cavity Ring Down Spectroscopy with a noise equivalent absorption of αmin≈1×10-10 cm-1. 414 lines of the 3ν1+3ν23 band were assigned with rotational quantum numbers N and Ka as high as 32 and 6, respectively, what corresponds to 518 rotation-vibration transitions. The overall set of spin-rotation energy levels was modeled in the frame of the effective Hamiltonian approach and reproduced with an RMS of 6×10-3 cm-1 for the (obs.-calc.) deviations. The effective Hamiltonian includes interactions with three nearby dark states - (350), (062) and (312) - in Coriolis interaction with the (331) bright state. Using a selected set of experimental line intensities and the fitted values of the vibration-rotation Hamiltonian parameters, the principal parameter in the dipole moment operator expansion is determined for the 3ν1+3ν23 band. With maximum line intensity on the order of 2.5×10-27 cm/molecule at 296 K, the 3ν1+3ν23 band is the weakest band of the NO2 molecule rovibrationnally assigned so far.

  16. Window type: 2x3 fixed multipaned steel window flanked by 1x3 ...

    Library of Congress Historic Buildings Survey, Historic Engineering Record, Historic Landscapes Survey

    Window type: 2x3 fixed multipaned steel window flanked by 1x3 multipaned steel casements. Concrete sill and spandrel also illustrated. Building 43, facing east - Harbor Hills Housing Project, 26607 Western Avenue, Lomita, Los Angeles County, CA

  17. 40 CFR 721.10185 - 1,2-Propanediol, 3-(diethylamino)-, polymers with 5-isocyanato-1- (isocyanatomethyl)-1,3,3...

    Code of Federal Regulations, 2010 CFR

    2010-07-01

    ...)-, polymers with 5-isocyanato-1- (isocyanatomethyl)-1,3,3-trimethylcyclohexane, propylene glycol and reduced Me esters of reduced polymd. oxidized tetrafluoroethylene, 2-ethyl-1-hexanol-blocked, acetates (salts... Me esters of reduced polymd. oxidized tetrafluoroethylene, 2-ethyl-1-hexanol-blocked, acetates...

  18. Photophysical properties of Schiff's bases from 3-(1,3-benzothiazol-2-yl)-2-hydroxy naphthalene-1-carbaldehyde

    NASA Astrophysics Data System (ADS)

    Satam, Manjaree A.; Telore, Rahul D.; Sekar, Nagaiyan

    2014-11-01

    A series of novel Schiff's bases have been synthesized from 3-(1,3-benzothiazol-2-yl)-2-hydroxynaphthalene-1-carbaldehyde. The presence of hydroxyl group ortho to the benzothiazolyl group as well as the imine linkage lead to the occurrence of excited state intramolecular proton transfer process. The computational strategy was used to study the ESIPT process of the synthesized Schiff's bases, which revealed surprisingly that the keto form predominantly exists in the ground state contradicting the ESIPT process. Density functional theory and time dependent density functional theory have been used to investigate the structural parameters and photophysical properties in different solvents of one of the Schiff's bases. The experimental results correlate well with the computed results. All Schiff's bases show good thermal stability.

  19. Piezoelectric Properties of Fine-Grained Pb(Mg1/3Nb2/3)O3-Pb(Zr,Ti)O3-Bi(Zn1/2Ti1/2)O3 Quaternary Solid Solution Ceramics

    NASA Astrophysics Data System (ADS)

    Yue, Ruifang; Hou, Xianbo; He, Wenze; Yu, Jian

    2013-06-01

    On the basis of solid state reaction eutectic behavior between Pb(Mg1/3Nb2/3)O3-Pb(Zr,Ti)O3 (PMN-PZT) and metastable perovskite-type Bi(Zn1/2Ti1/2)O3 (BZT), perovskite-structured PMN-PZT-BZT quaternary solid solution piezoceramics with various compositions were experimentally demonstrated with an intrinsic low sintering temperature in the windows of 950-1050 °C. These fine-grained densified PMN-PZT-BZT ceramics were able to be poled sufficiently at room temperature through polarization-electric field hysteresis loop measurement, different from normal poling treatment with DC bias field at high temperature, which will simplify future device processing of monolithic multilayer piezoceramic transducers. A typical piezoelectric property of dielectric constant ɛ33T/ɛ0 = 3471, piezoelectric constant d33 = 480 pC/N, planar coupling coefficient kp = 0.41, thickness coupling coefficient kt = 0.50, mechanical quality factor Qm = 68 and relaxor ferroelectric phase transition temperature Tm = 167 °C at 1 MHz was obtained for the fine-grained densified Pb0.96Sr0.04(Mg1/3Nb2/3)0.37Zr0.24Ti0.39O3+3%Bi(Zn0.5Ti0.5)O3+2%NiO ceramics sintered at 1020 °C, which is much promising to manufacture monolithic multilayer piezoelectric transducers with Ag95/Pd5 as inner electrode material.

  20. 3,3'-(1-Oxopropane-1,3-di-yl)bis-(1,3-thia-zolidine-2-thione) chloro-benzene hemisolvate.

    PubMed

    Franzel, Christine; Purdy, Andrew; Butcher, Ray J

    2013-03-01

    The title compound, C9H12N2OS4·0.5C6H5Cl, which contains two 1,3-thia-zolidine-2-thione rings, is a by-product of the synthesis of 3-acryloyl-1,3-thia-zolidine-2-thione. The dihedral angle between these rings is 79.95 (9)°, with both rings displaying a twisted conformation. The twist angle of the amide group is 5.6 (1)°. In the crystal, the molecules are linked into [001] chains by C-H⋯O interactions. The chloro-benzene solvent mol-ecule was found to show unresolvable disorder about a centre of inversion and its contribution to the scattering was removed with the SQUEEZE option in PLATON [Spek (2009 ▶). Acta Cryst. D65, 148-155]. PMID:23476562

  1. Effect of 24,25-dihydroxyvitamin D3 on 1,25-dihydroxyvitamin D3 (1,25-(OH)2D3) metabolism in vitamin D-deficient rats infused with 1,25-(OH)2D3

    SciTech Connect

    Yamato, H.; Matsumoto, T.; Fukumoto, S.; Ikeda, K.; Ishizuka, S.; Ogata, E.

    1989-01-01

    Previous studies revealed that administration of 24,25-dihydroxyvitamin D3 (24,25-(OH)2D3) to calcium (Ca)-deficient rats causes a dose-dependent reduction in markedly elevated serum 1,25-(OH)2D3 level. Although the results suggested that the metabolism of 1,25-(OH)2D3 was accelerated by 24,25-(OH)2D3, those experiments could not define whether the enhanced metabolism of 1,25-(OH)2D3 played a role in the reduction in the serum 1,25-(OH)2D3 level. In the present study, in order to address this issue more specifically, serum 1,25-(OH)2D3 was maintained solely by exogenous administration through miniosmotic pumps of 1,25-(OH)2D3 into vitamin D-deficient rats. Thus, by measuring the serum 1,25-(OH)2D3 concentration, the effect of 24,25-(OH)2D3 on the MCR of 1,25-(OH)2D3 could be examined. Administration of 24,25-(OH)2D3 caused a dose-dependent enhancement in the MCR of 1,25-(OH)2D3, and 1 microgram/100 g rat.day 24,25-(OH)2D3, which elevated serum 24,25-(OH)2D3 to 8.6 +/- 1.3 ng/ml, significantly increased MCR and suppressed serum levels of 1,25-(OH)2D3. The effect of 24,25-(OH)2D3 on 1,25-(OH)2D3 metabolism developed with a rapid time course, and the recovery of iv injected (1 beta-3H)1,25-(OH)2D3 in blood was significantly reduced within 1 h. In addition, there was an increase in radioactivity in the water-soluble fraction of serum as well as in urine, suggesting that 1,25-(OH)2D3 is rapidly degraded to a water-soluble metabolite(s). Furthermore, the reduction in serum 1,25-(OH)2D3 was associated with a reduction in both serum and urinary Ca levels. Because the conversion of (3H)24,25-(OH)2D3 to (3H)1,24,25-(OH)2D3 or other metabolites was minimal in these rats, 24,25-(OH)2D3 appears to act without being converted into other metabolites. These results demonstrate that 24,25-(OH)2D3 rapidly stimulates the metabolism of 1,25-(OH)2D3 and reduces its serum level.

  2. Crystal structure of 2-ethyl-4-methyl-1-(2-oxido-3,4-dioxo-cyclo-but-1-en-1-yl)-1H-imidazol-3-ium.

    PubMed

    Korkmaz, Ufuk; Bulut, Iclal; Bulut, Ahmet

    2016-07-01

    In the title inner salt molecule, C10H10N2O3, the four-membered cyclobutene ring is twisted by 7.1 (2)° with respect to the five-membered imidazole ring. The crystal packing exhibits an R 2 (2)(9) hydrogen-bonding ring motif through N-H⋯O and C-H⋯O inter-actions. The potential non-linear optical properties were studied by a computational ab initio calculations performed at the DFT/B3LYP/6-31++G(d,p) level of theory. PMID:27555949

  3. Triple-Singlet Mixing in Si_3: the 1^3A_{1}^{''} - {a}{^3}A{^{'}_2} Transition

    NASA Astrophysics Data System (ADS)

    Zhang, Ruohan; Steimle, Timothy C.

    2013-06-01

    The electronic spectrum of the triplet states of the D_{3h} isomer of Si_3 recorded using both mass selected REMPI and LIF spectroscopy was recently reported. In that same study the dispersed laser induced fluorescence (DLIF) spectra resulting from excitation of various bands in the visible range were recorded. The DLIF spectra exhibited a progression with a 505 cm^{-1} spacing, which was assign to the breathing mode of the D_{3h}, equilateral triangle, Si_{3} molecule. In addition, and quite unexpectedly, the DLIF spectra exhibited a progression having a spacing of 173 cm^{-1}. This progression was tentatively assigned to transition involving the bending mode of the ^1A_1 state of the C_{2v} isomer. A possible explanation for the observation of transitions in the singlet manifold is that upon laser excitation in the D_{3h} triplet manifold there is rapid intersystem crossing to the singlet manifold followed by fluorescence to the ground state of C_{2v} isomer. Here we address the issue of possible intersystem crossing by recording the excitation on DLIF spectra in the present of a static magnetic field. Magnetic fields are known to enhance the singlet-triple mixing. Si_{3} was produced using a supersonic pulsed discharge source (900 V, 20 μs, 6kΩ) with a 1% SiH_{4} in argon mixture. Magnetic fields of approximately 500 and 950 Gauss were applied. We will report the interpretation of the magnetic field induced changes to the LIF and DLIF spectra and the implications for the singlet-triple mixing process. N. J. Reilly, X. Zhuang, V. Gupta, R. Nagarajan, R. C. Fortenberry, J. P. Maier, T. C. Steimle, J. F. Stanton, M. C. McCarthy; {J. Chem. Phys., {136(19)}, 194307, (2004). V. I. Makarov, I. V. Khmelinskii; {Advances in Chemical Phisics, {Volume 118}, 45-98, (2001). thanks

  4. Both G3BP1 and G3BP2 contribute to stress granule formation.

    PubMed

    Matsuki, Hideaki; Takahashi, Masahiko; Higuchi, Masaya; Makokha, Grace N; Oie, Masayasu; Fujii, Masahiro

    2013-02-01

    Upon exposure to various environmental stresses such as arsenite, hypoxia, and heat shock, cells inhibit their translation and apoptosis and then repair stress-induced alterations, such as DNA damage and the accumulation of misfolded proteins. These types of stresses induce the formation of cytoplasmic RNA granules called stress granules (SGs). SGs are storage sites for the many mRNAs released from disassembled polysomes under these stress conditions and are essential for the selective translation of stress-inducible genes. Ras-GTPase-activating protein SH3 domain-binding protein 1 (G3BP1) is a component of SGs that initiates the assembly of SGs by forming a multimer. In this study, we examined the role of G3BP2, a close relative of G3BP1, in SG formation. Although single knockdown of either G3BP1 or G3BP2 in 293T cells partially reduced the number of SG-positive cells induced by arsenite, the knockdowns of both genes significantly reduced the number. G3BP2 formed a homo-multimer and a hetero-multimer with G3BP1. Moreover, like G3BP1, the overexpression of G3BP2 induced SGs even without stress stimuli. Collectively, these results suggest that both G3BP1 and G3BP2 play a role in the formation of SGs in various human cells and thereby recovery from these cellular stresses.

  5. Discovery of potent 3,5-diphenyl-1,2,4-oxadiazole sphingosine-1-phosphate-1 (S1P1) receptor agonists with exceptional selectivity against S1P2 and S1P3.

    PubMed

    Li, Zhen; Chen, Weirong; Hale, Jeffrey J; Lynch, Christopher L; Mills, Sander G; Hajdu, Richard; Keohane, Carol Ann; Rosenbach, Mark J; Milligan, James A; Shei, Gan-Ju; Chrebet, Gary; Parent, Stephen A; Bergstrom, James; Card, Deborah; Forrest, Michael; Quackenbush, Elizabeth J; Wickham, L Alexandra; Vargas, Hugo; Evans, Rose M; Rosen, Hugh; Mandala, Suzanne

    2005-10-01

    A class of 3,5-diphenyl-1,2,4-oxadiazole based compounds have been identified as potent sphingosine-1-phosphate-1 (S1P1) receptor agonists with minimal affinity for the S1P2 and S1P3 receptor subtypes. Analogue 26 (S1P1 IC50 = 0.6 nM) has an excellent pharmacokinetics profile in the rat and dog and is efficacious in a rat skin transplant model, indicating that S1P3 receptor agonism is not a component of immunosuppressive efficacy.

  6. Cytotoxicity, genotoxicity, and mutagenicity of 1-chloro-2-hydroxy-3-butene and 1-chloro-3-buten-2-one, two alternative metabolites of 1,3-butadiene

    SciTech Connect

    Liu, Xin-Jie; Zeng, Fang-Mao; An, Jing; Yu, Ying-Xin; Zhang, Xin-Yu; Elfarra, Adnan A.

    2013-08-15

    The cytotoxicity, genotoxicity, and mutagenicity of 1-chloro-2-hydroxy-3-butene (CHB), a known in vitro metabolite of the human carcinogen 1,3-butadiene, have not previously been investigated. Because CHB can be bioactivated by alcohol dehydrogenases to yield 1-chloro-3-buten-2-one (CBO), a bifunctional alkylating agent that caused globin-chain cross-links in erythrocytes, in the present study we investigated the cytotoxic and genotoxic potential of CHB and CBO in human normal hepatocyte L02 cells using the MTT assay, the relative cloning efficiency assay and the comet assay. We also investigated the mutagenic potential of these compounds with the Ames test using Salmonella strains TA1535 and TA1537. The results provide clear evidence for CHB and CBO being both cytotoxic and genotoxic with CBO being approximately 100-fold more potent than CHB. Interestingly, CHB generated both single-strand breaks and alkali-labile sites on DNA, whereas CBO produced only alkali-labile sites. CHB did not directly result in DNA breaks, whereas CBO was capable of directly generating breaks on DNA. Interestingly, both compounds did not induce DNA cross-links as examined by the comet assay. The Ames test results showed that CHB induced point mutation but not frameshift mutation, whereas the toxic effects of CBO made it difficult to reliably assess the mutagenic potential of CBO in the two strains. Collectively, the results suggest that CHB and CBO may play a role in the mutagenicity and carcinogenicity of 1,3-butadiene. - Highlights: • 1-Chloro-2-hydroxy-3-butene (CHB) is cytotoxic and genotoxic in human liver cells. • The CHB metabolite, 1-chloro-3-buten-2-one (CBO) is ∼ 100-fold more toxic than CHB. • CHB and CBO cause DNA alkali-labile sites, but only CBO directly causes DNA breaks. • CHB is mutagenic in the Ames test, but CBO is too toxic in the assay. • The results suggest a role for CHB in 1,3-butadiene genotoxicity and mutagenicity.

  7. Cytotoxicity, genotoxicity, and mutagenicity of 1-chloro-2-hydroxy-3-butene and 1-chloro-3-buten-2-one, two alternative metabolites of 1,3-butadiene.

    PubMed

    Liu, Xin-Jie; Zeng, Fang-Mao; An, Jing; Yu, Ying-Xin; Zhang, Xin-Yu; Elfarra, Adnan A

    2013-08-15

    The cytotoxicity, genotoxicity, and mutagenicity of 1-chloro-2-hydroxy-3-butene (CHB), a known in vitro metabolite of the human carcinogen 1,3-butadiene, have not previously been investigated. Because CHB can be bioactivated by alcohol dehydrogenases to yield 1-chloro-3-buten-2-one (CBO), a bifunctional alkylating agent that caused globin-chain cross-links in erythrocytes, in the present study we investigated the cytotoxic and genotoxic potential of CHB and CBO in human normal hepatocyte L02 cells using the MTT assay, the relative cloning efficiency assay and the comet assay. We also investigated the mutagenic potential of these compounds with the Ames test using Salmonella strains TA1535 and TA1537. The results provide clear evidence for CHB and CBO being both cytotoxic and genotoxic with CBO being approximately 100-fold more potent than CHB. Interestingly, CHB generated both single-strand breaks and alkali-labile sites on DNA, whereas CBO produced only alkali-labile sites. CHB did not directly result in DNA breaks, whereas CBO was capable of directly generating breaks on DNA. Interestingly, both compounds did not induce DNA cross-links as examined by the comet assay. The Ames test results showed that CHB induced point mutation but not frameshift mutation, whereas the toxic effects of CBO made it difficult to reliably assess the mutagenic potential of CBO in the two strains. Collectively, the results suggest that CHB and CBO may play a role in the mutagenicity and carcinogenicity of 1,3-butadiene.

  8. Simulating traffic flow with Lotus 1-2-3

    SciTech Connect

    Snelting, D.T.

    1986-07-01

    This article discusses the use of spreadsheet software in simulating traffic flow on an approach to a pretimed signalized intersection. Such a simulation model would serve the following purposes: 1. It could help traffic engineers realize the types of applications that are possible with spreadsheets or expand their current thinking in this area. 2. It should provide traffic engineers and transportation planners with a relatively simple tool for obtaining a ''feel'' for traffic flow characteristics. 3. Delay and stopping data generated from the model could be used to verify other research data and actual field data.

  9. Effect of Fluorination of 2,1,3-Benzothiadiazole

    PubMed Central

    2015-01-01

    The 4,7-dithieno-2,1,3-benzothiadiazole (DTBT) moiety and its fluorinated counterpart are important π-conjugated building blocks in the field of organic electronics. Here we present a combined experimental and theoretical investigation into fundamental properties relating to these two molecular entities and discuss the potential impact on extended π-conjugated materials and their electronic properties. While the fluorinated derivative, in the solid state, packs with a cofacial overlap smaller than that of DTBT, we report experimental evidence of stronger optical absorption as well as stronger intra- and intermolecular contacts upon fluorination. PMID:25901908

  10. Study of the surface modification of LiNi1/3Co1/3Mn1/3O2 cathode material for lithium ion battery

    NASA Astrophysics Data System (ADS)

    Hashem, A. M. A.; Abdel-Ghany, A. E.; Eid, A. E.; Trottier, J.; Zaghib, K.; Mauger, A.; Julien, C. M.

    2011-10-01

    The surface of LiNi1/3Co1/3Mn1/3O2 (LNMCO) particles has been studied for material synthesized at 900 °C by a two-step process from a mixture of LiOH·H2O and metal oxalate [(Ni1/3Co1/3Mn1/3)C2O4] obtained by co-precipitation. Samples have been characterized by X-ray diffraction (XRD), high-resolution transmission electron microscope (HRTEM), Raman scattering (RS) spectroscopy, and magnetic measurements. We have investigated the effect of the heat treatment of particles at 600 °C with organic substances such as sucrose and starch. HRTEM images and RS spectra indicate that the surface of particles has been modified. The annealing does not lead to any carbon coating but it leads to the crystallization of the thin disordered layer on the surface of LiNi1/3Co1/3Mn1/3O2. The beneficial effect has been tested on the electrochemical properties of the LiNi1/3Co1/3Mn1/3O2 cathode materials. The capacity at 10C-rate is enhanced by 20% for post-treated LNMCO particles at 600 °C for half-an-hour.

  11. Near infrared rubidium 62P3/2,1/2→62S1/2 laser

    NASA Astrophysics Data System (ADS)

    Moran, Paul J.; Richards, Ryan M.; Rice, Christopher A.; Perram, Glen P.

    2016-09-01

    An optically pumped near infrared rubidium (Rb) pulsed, mirrorless laser has been demonstrated in a heat pipe along both the 62P3/2-62S1/2 transition at 2.73 μm and the 62P1/2-62S1/2 transition at 2.79 μm. The bleached limit, slope efficiency, and maximum laser output energy of the near infrared Rb laser scale linearly with increasing Rb density, contrary to prior results. Previously, a maximum output energy of ~5 nJ had been observed before a rollover occurred in the scaling of output energy with rubidium concentration. In this experiment, the maximum laser output energy observed was ~100 nJ, with no indication of any scaling limitation. A maximum slope efficiency of 1.7×10-4 was observed. A small percentage of the pump photons were absorbed even at the maximum Rb density attainable in the heat pipe, indicating that laser efficiency could be scaled to near the quantum efficiency. Additionally, the hyperfine structure and absorption spectral profile of the 52S1/2-62P1/2 and 52S1/2-62P3/2 (blue) pump transitions were studied using a cw pump source.

  12. Preparation of 3,3'-azobis(6-amino-1,2,4,5-tetrazine)

    DOEpatents

    Hiskey, Michael A.; Chavez, David E.; Naud, Darren

    2002-01-01

    The compound of the structure ##STR1## where a, b, c, d and e are 0 or 1 and a+b+c+d+e is from 0 to 5 is disclosed together with the species 3,3'-azobis(6-amino-1,2,4,5-tetrazine) and a process of preparing such compounds.

  13. Fragrance material review on 1-(2,6,6-trimethyl-2-cyclohexen-1-yl)pent-1-en-3-one.

    PubMed

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

    2013-12-01

    A toxicologic and dermatologic review of 1-(2,6,6-trimethyl-2-cyclohexen-1-yl)pent-1-en-3-one when used as a fragrance ingredient is presented. 1-(2,6,6-Trimethyl-2-cyclohexen-1-yl)pent-1-en-3-one is a member of the fragrance structural group Alkyl Cyclic Ketones. These fragrances can be described as being composed of an alkyl, R1, and various substituted and bicyclic saturated or unsaturated cyclic hydrocarbons, R2, in which one of the rings may include up to 12 carbons. Alternatively, R2 may be a carbon bridge of C2-C4 carbon chain length between the ketone and cyclic hydrocarbon. This review contains a detailed summary of all available toxicology and dermatology papers that are related to this individual fragrance ingredient and is not intended as a stand-alone document. Available data for 1-(2,6,6-trimethyl-2-cyclohexen-1-yl)pent-1-en-3-one were evaluated then summarized and includes physical properties data. A safety assessment of the entire Alkyl Cyclic Ketones will be published simultaneously with this document; please refer to Belsito et al. (Belsito, D., Bickers, D., Bruze, M., Calow, P., Dagli, M., Fryer, A.D., Greim, H., Miyachi, Y., Saurat, J.H., Sipes, I.G., 2013. A Toxicologic and Dermatologic Assessment of Alkyl Cyclic Ketones when used as fragrance ingredients. Submitted for publication) for an overall assessment of the safe use of this material and all Alkyl Cyclic Ketones in fragrances.

  14. One-Step Production of 1,3-Butadiene from 2,3-Butanediol Dehydration.

    PubMed

    Liu, Xi; Fabos, Viktoria; Taylor, Stuart; Knight, David W; Whiston, Keith; Hutchings, Graham J

    2016-08-22

    We report the direct production of 1,3-butadiene from the dehydration of 2,3-butandiol by using alumina as catalyst. Under optimized kinetic reaction conditions, the production of methyl ethyl ketone and isobutyraldehyde, formed via the pinacol-pinacolone rearrangement, was markedly reduced and almost 80 % selectivity to 1,3-butadiene and 1,3-butadiene could be achieved. The presence of water plays a critical role in the inhibition of oligomerization. The amphoteric nature of γ-Al2 O3 was identified as important and this contributed to the improved catalytic selectivity when compared with other acidic catalysts. PMID:27392112

  15. (7-Benzyloxy-2,3-dihydro-1H-pyrrolo[1,2-a]indol-1-yl)acetic Acids as S1P1 Functional Antagonists

    PubMed Central

    2014-01-01

    S1P1 is a validated target for treatment of autoimmune disease, and functional antagonists with superior safety and pharmacokinetic properties are being sought as second generation therapeutics. We describe the discovery and optimization of (7-benzyloxy-2,3-dihydro-1H-pyrrolo[1,2-a]indol-1-yl)acetic acids as potent, centrally available, direct acting S1P1 functional antagonists, with favorable pharmacokinetic and safety properties. PMID:25516794

  16. 75 FR 65987 - 1-Propene, 2,3,3,3-tetrafluoro-; Significant New Use Rule

    Federal Register 2010, 2011, 2012, 2013, 2014

    2010-10-27

    ... days before commencing that activity. Previously, in the Federal Register of February 1, 2010 (75 FR...), in the Federal Register of April 2, 2010 (75 FR 16670) (FRL-8816-9), EPA withdrew the direct final... the Federal Register of April 2, 2010 (75 FR 16706) (FRL-8818-2). More information on the...

  17. Accessing 2,1-Borazaronaphthols: Self-Arylation of 1-Alkyl-2-aryl-3-bromo-2,1-borazaronaphthalenes

    PubMed Central

    2015-01-01

    Unlike their B-alkyl counterparts, brominated N-alkyl B-aryl 2,1-borazaronaphthalenes undergo a self-arylation reaction in the presence of a catalytic amount of palladium and base, in which the azaborine serves as both the electrophile and the nucleophile. The products of the self-arylation are air- and moisture-stable 2,1-borazaronaphthols, previously only observed in basic alcoholic solvents. The steric encumbrance of the azaborine appears to prevent formation of the corresponding boron acid anhydride, allowing access to a family of 2,1-borazaronaphthol derivatives. PMID:25133658

  18. (2R,1'S,2'R)- and (2S,1'S,2'R)-3-[2-Mono(di,tri)fluoromethylcyclopropyl]alanines and their incorporation into hormaomycin analogues

    PubMed Central

    Kozhushkov, Sergei I; Yufit, Dmitrii S; Grosse, Christian; Kaiser, Marcel

    2014-01-01

    Summary Efficient and scalable syntheses of enantiomerically pure (2R,1'S,2'R)- and (2S,1'S,2'R)-3-[2-mono(di,tri)fluoromethylcyclopropyl]alanines 9a–c, as well as allo-D-threonine (4) and (2S,3R)-β-methylphenylalanine (3), using the Belokon' approach with (S)- and (R)-2-[(N-benzylprolyl)amino]benzophenone [(S)- and (R)-10] as reusable chiral auxiliaries have been developed. Three new fluoromethyl analogues of the naturally occurring octadepsipeptide hormaomycin (1) with (fluoromethylcyclopropyl)alanine moieties have been synthesized and subjected to preliminary tests of their antibiotic activity. PMID:25550751

  19. Rubidium 2,4,6-trioxo-1,3-diazinan-5-ide-1,3-diazinane-2,4,6-trione-water (1/1/1).

    PubMed

    Gryl, Marlena; Stadnicka, Katarzyna

    2011-05-01

    The asymmetric unit of the title compound, Rb(+)·C(4)H(3)N(2)O(3) (-)·C(4)H(4)N(2)O(3)·H(2)O, consists of one rubidium cation, a barbituric acid mol-ecule, a barbiturate anion and one water mol-ecule. The rubidium ion has seven close-contact inter-actions with O atoms, with Rb⋯O distances ranging from 2.8594 (16) to 3.2641 (14) Å. These seven O atoms together with an eighth O atom at 3.492 (2) Å away from Rb form a distorted polyhedron with shape inter-mediate between an anti-prism and a dodeca-hedron. The Rb(+) ions connect layers built of organic components and water mol-ecules linked via N-H⋯O and O-H⋯O hydrogen bonds. PMID:21754300

  20. Growth and characterization of piezo-/ferroelectric Pb(Mg1/3Nb2/3)O3-PbTiO3-Bi(Zn1/2Ti1/2)O3 ternary single crystals

    NASA Astrophysics Data System (ADS)

    Belan, Reagan A.; Tailor, Hamel N.; Long, Xifa; Bokov, Alexei A.; Ye, Zuo-Guang

    2011-03-01

    In order to develop new piezo-/ferroelectric materials, single crystals of the Pb(Mg1/3Nb2/3)O3-PbTiO3-Bi(Zn1/2Ti1/2)O3 [PMN-PT-BZT] ternary complex perovskite system has been grown by a high temperature solution method using the mixture of PbO and H3BO3 as flux (in a molar ratio of 4:2) with an optimum flux:charge molar ratio of 6:1. It is found that the addition of BZT into the relaxor ferroelectric PMN-PT system reduces the number of spontaneous nucleations, resulting in large single crystals (5 mm×5 mm×14 mm) of good quality. The grown crystals exhibit a pseudo-cubic morphology and show evidence of two-dimensional growth mechanism. Examination by polarized light microscopy (PLM) reveals the formation of striation, which can be reduced by changing the growth conditions. The domain structure and phase transition of the PMN-PT-BZT crystals are investigated by PLM. The temperature and frequency dependences of the dielectric permittivity of the grown crystals show typical relaxor ferroelectric behavior, with the frequency dependence of the temperature of maximum permittivity (Tmax) following the Vogel-Fulcher law. The ferroelectric property is displayed in the crystals with a remnant polarization, Pr=21 μC/cm2 and a coercive field, EC=3.5 kV/cm. The piezoelectric coefficient, d33, is found to be 825 pC/N, a value much higher than that of the ternary ceramics.

  1. Temperature-induced and electric-field-induced phase transitions in rhombohedral Pb(In 1 /2Nb1 /2) O3-Pb(Mg 1 /3Nb2 /3)O3-PbTiO3 ternary single crystals

    NASA Astrophysics Data System (ADS)

    Wang, Yaojin; Wang, Zhiguang; Ge, Wenwei; Luo, Chengtao; Li, Jiefang; Viehland, D.; Chen, Jianwei; Luo, Haosu

    2014-10-01

    Temperature and electric field effects on rhombohedral (R ) ternary Pb(In 1 /2Nb1 /2) O3-Pb(Mg 1 /3Nb2 /3)O3-PbTiO3 (PIN-PMN-PT) ferroelectric single crystals were comprehensively studied by x-ray diffraction. We have focused on how the individual phase transitions as well as the phase transition sequences depend on thermal and electrical history. Electric field-temperature phase diagrams have been constructed under [001] field-cooling and field-heating conditions. As happens to the R phase of binary PMN-PT crystals [H. Cao, J. F. Li, D. Viehland, and G. Y. Xu, Phys. Rev. B 73, 184110 (2006), 10.1103/PhysRevB.73.184110], the R phase of the zero-field-cooled (ZFC) state is replaced by a monoclinic A (M A) phase in the field-cooled (FC) diagram. In particular, reciprocal-space mesh scans demonstrated that the M A phase was stable for crystals poled along the [001] crystallographic direction rather than the initial R phase of the ZFC state. Furthermore, an E -field-induced phase transformational sequence of R →M A→ tetragonal (T ) was observed at constant temperature, revealing a gradual increase in the c lattice parameter. These findings demonstrate that the ternary PIN-PMN-PT crystals exhibit common phase transition features with binary PMN-PT and Pb(Zn 1 /3Nb2 /3)O3-PbTiO3 (PZN-PT) ones for compositions in the low PT side of the morphotropic phase boundary.

  2. Gravity affects the responsiveness of Runx2 to 1, 25-dihydroxyvitamin D3 (VD3)

    NASA Astrophysics Data System (ADS)

    Guo, Feima; Dai, Zhongquan; Wu, Feng; Liu, Zhaoxia; Tan, Yingjun; Wan, Yumin; Shang, Peng; Li, Yinghui

    2013-03-01

    Bone loss resulting from spaceflight is mainly caused by decreased bone formation, and decreased osteoblast proliferation and differentiation. Transcription factor Runx2 plays an important role in osteoblast differentiation and function by responding to microenvironment changes including cytokine and mechanical factors. The effects of 1, 25-dihydroxyvitamin D3 (VD3) on Runx2 in terms of mechanical competence is far less clear. This study describes how gravity affects the response of Runx2 to VD3. A MC3T3-6OSE2-Luc osteoblast model was constructed in which the activity of Runx2 was reflected by reporter luciferase activity identifed by bone-related cytokines. The results showed that luciferase activity in MC3T3-6OSE2-Luc cells transfected with Runx2 was twice that of the vacant vector. Alkaline phosphatase (ALP) activity was increased in MC3T3-6OSE2-Luc cells by different concentrations of IGF-I and BMP2. MC3T3-6OSE2-Luc cells were cultured under simulated microgravity or centrifuge with or without VD3. In simulated microgravity, luciferase activity was decreased after 48 h of clinorotation culture, but increased in the centrifuge culture. Luciferase activity was increased after VD3 treatment in normal conditions and simulated microgravity, the increase in luciferase activity in simulated microgravity was lower than that in the 1 g condition when simultaneously treated with VD3 and higher than that in the centrifuge condition. Co-immunoprecipitation showed that the interaction between the VD3 receptor (VDR) and Runx2 was decreased by simulated microgravity, but increased by centrifugation. From these results, we conclude that gravity affects the response of Runx2 to VD3 which results from an alteration in the interaction between VDR and Runx2 under different gravity conditions.

  3. Superconducting behaviors in (Y1 - xLax)Ba2Cu3Oy (0 <= x <= 1)

    NASA Astrophysics Data System (ADS)

    Okada, M.; Matsuoka, D.; Zou, H.; Homma, M.

    1988-11-01

    The superconducting behavior of (Y1-xLax)Ba2Cu3Oy compounds for 0≤x≤1 was studied. It was found that Tc decreased with increasing La content. (Y1-xLax)Ba2Cu3Oy for 0≤x≤0.4, fired at 1050 °C in air, shows onset temperatures above 90 K. Annealing (Y1-xLax)Ba2Cu3Oy at 300 °C in O2 enhanced the onset temperature above 70 K for all studied compositions (x=0-1), and altered the crystal structure from tetragonal to orthorhombic.

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

    PubMed

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

    2013-12-01

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

  5. Dynamic relocation of the TORC1–Gtr1/2–Ego1/2/3 complex is regulated by Gtr1 and Gtr2

    PubMed Central

    Kira, Shintaro; Kumano, Yuri; Ukai, Hirofumi; Takeda, Eigo; Matsuura, Akira; Noda, Takeshi

    2016-01-01

    TORC1 regulates cellular growth, metabolism, and autophagy by integrating various signals, including nutrient availability, through the small GTPases RagA/B/C/D in mammals and Gtr1/2 in budding yeast. Rag/Gtr is anchored to the lysosomal/vacuolar membrane by the scaffold protein complex Ragulator/Ego. Here we show that Ego consists of Ego1 and Ego3, and novel subunit Ego2. The ∆ego2 mutant exhibited only partial defects both in Gtr1-dependent TORC1 activation and Gtr1 localization on the vacuole. Ego1/2/3, Gtr1/2, and Tor1/Tco89 were colocalized on the vacuole and associated puncta. When Gtr1 was in its GTP-bound form and TORC1 was active, these proteins were preferentially localized on the vacuolar membrane, whereas when Gtr1 was in its GDP-bound form, they were mostly localized on the puncta. The localization of TORC1 to puncta was further facilitated by direct binding to Gtr2, which is involved in suppression of TORC1 activity. Thus regulation of TORC1 activity through Gtr1/Gtr2 is tightly coupled to the dynamic relocation of these proteins. PMID:26609069

  6. 40 CFR 721.4040 - Glycols, polyethylene-, 3-sulfo-2-hydroxypropyl-p-(1,1,3,3-tetra-methylbutyl)phenyl ether, sodium...

    Code of Federal Regulations, 2011 CFR

    2011-07-01

    ...-hydroxypropyl-p-(1,1,3,3-tetra-methylbutyl)phenyl ether, sodium salt. 721.4040 Section 721.4040 Protection of...-, 3-sulfo-2-hydroxypropyl-p-(1,1,3,3-tetra-methylbutyl)phenyl ether, sodium salt. (a) Chemical..., polyethylene-, 3-sulfo-2-hydroxypropyl-p-(1,1,3,3-tetramethyl butyl)phenyl ether, sodium salt (P-90-1565)...

  7. Protein phosphatases 1 and 2A promote Raf-1 activation by regulating 14-3-3 interactions.

    PubMed

    Jaumot, M; Hancock, J F

    2001-07-01

    Raf-1 activation is a complex process which involves plasma membrane recruitment, phosphorylation, protein-protein and lipid-protein interactions. We now show that PP1 and PP2A serine-threonine phosphatases also have a positive role in Ras dependent Raf-1 activation. General serine-threonine phosphatase inhibitors such sodium fluoride, or ss-glycerophosphate and sodium pyrophosphate, or specific PP1 and PP2A inhibitors including microcystin-LR, protein phosphatase 2A inhibitor I(1) or protein phosphatase inhibitor 2 all abrogate H-Ras and K-Ras dependent Raf-1 activation in vitro. A critical Raf-1 target residue for PP1 and PP2A is S259. Serine phosphatase inhibitors block the dephosphorylation of S259, which accompanies Raf-1 activation, and Ras dependent activation of mutant Raf259A is relatively resistant to serine phosphatase inhibitors. Sucrose gradient analysis demonstrates that serine phosphatase inhibition increases the total amount of 14-3-3 and Raf-1 associated with the plasma membrane and significantly alters the distribution of 14-3-3 and Raf-1 across different plasma membrane microdomains. These observations suggest that dephosphorylation of S259 is a critical early step in Ras dependent Raf-1 activation which facilitates 14-3-3 displacement. Inhibition of PP1 and PP2A therefore causes plasma membrane accumulation of Raf-1/14-3-3 complexes which cannot be activated.

  8. 2,3-Dihydro-1,3-benzothiazol-2-iminium monohydrogen sulfate and 2-iminio-2,3-dihydro-1,3-benzothiazole-6-sulfonate: a combined structural and theoretical study.

    PubMed

    Kruszynski, Rafal; Trzesowska-Kruszynska, Agata

    2009-12-01

    The 2-aminobenzothiazole sulfonation intermediate 2,3-dihydro-1,3-benzothiazol-2-iminium monohydrogen sulfate, C(7)H(7)N(2)S(+).HSO(4)(-), (I), and the final product 2-iminio-2,3-dihydro-1,3-benzothiazole-6-sulfonate, C(7)H(6)N(2)O(3)S(2), (II), both have the endocyclic N atom protonated; compound (I) exists as an ion pair and (II) forms a zwitterion. Intermolecular N-H...O and O-H...O hydrogen bonds are seen in both structures, with bonding energy (calculated on the basis of density functional theory) ranging from 1.06 to 14.15 kcal mol(-1). Hydrogen bonding in (I) and (II) creates DDDD and C(8)C(9)C(9) first-level graph sets, respectively. Face-to-face stacking interactions are observed in both (I) and (II), but they are extremely weak.

  9. Optical evidences for an intermediate phase in relaxor ferroelectric Pb(In1/2Nb1/2)O3-Pb(Mg1/3Nb2/3)O3-PbTiO3 single crystals

    NASA Astrophysics Data System (ADS)

    Zhang, Xiaolong; Zhang, Jinzhong; Xu, Guisheng; Jiang, Kai; Hu, Zhigao; Chu, Junhao

    2016-02-01

    The mechanism of low-temperature structural transformation and evolution of polar nano-structures in relaxor ferroelectric Pb(In1/2Nb1/2)O3-Pb(Mg1/3Nb2/3)O3-xPbTiO3 (x = 0.33, 0.35, and 0.42) single crystals have been investigated with the aid of temperature dependent low-wavenumber Raman scattering (LWRS) and photoluminescence (PL) spectra. The E(TO1) phonon mode reveals the characteristic relaxational polarization fluctuations associated with the reorientation of either polar nano-regions or polar nano-domains. It was found that these mechanisms are not independent and they can be ascribed to the phonon localization. In addition, a short-range monoclinic phase (Mc) can be found below 250 K in the tetragonal phase region by LWRS, which is always associated with the morphotropic phase boundary (MPB) and excellent electromechanical properties. It is interesting that PL spectra confirm these results. The present work indicates that external field modulation and change of composition can result in the monoclinic phase and co-existence of multi-phase.

  10. Crystal structures of nitrato-(2-[2-(1-pyridine-2-ylethylidene)hydrazine]-1,3-benzothiazolo) aquacopper and chloro-(2-[2-phenyl(pyridine-2-ylethylidene)hydrazine]-1,3-benzothiazolo) copper

    SciTech Connect

    Chumakov, Yu. M.; Paholnitcaia, A. Yu.; Petrenko, P. A.; Tsapkov, V. I.; Poirier, D.; Gulea, A. P.

    2015-01-15

    Two crystal modifications of nitrato-(2-[2-(1-pyridine-2-ylethylidene)hydrazine]-1,3-benzothiazolo) aquacopper (I and II) and two modifications of chloro-(2-[2-phenyl(pyridine-2-ylethylidene)hydrazine]-1,3-benzothiazolo) copper (III and IV) have been synthesized and studied by X-ray diffraction. In structures I and II, the copper atoms coordinate a monodeprotonated molecule of the organic ligand, nitrate ions, and a water molecule. In crystals of I, the complexes are monomeric, whereas complexes II are linked via nitrate ions to form polymeric chains. In both structures the coordination polyhedron of the copper atom can be described as a distorted tetragonal bipyramid—(4 + 1 + 1) in I and (4 + 2) in II. These coordination polyherdra have different compositions. In structures III and IV, the metal atoms coordinate a monodeprotonated (2-[2-phenyl(pyridine-2-ylethylidene)hydrazine]-1,3-benzothiazole molecule and chloride ions. In III the complex-forming ion has square-planar coordination geometry, whereas structure IV consists of centrosymmetric dimers with two bridging chlorine atoms. It was found that nitrato-(2-[2-(1-pyridine-2-ylethylidene)hydrazine]-1,3-benzothiazolo) aquacopper possesses antitumor activity.

  11. Synthesis of chiral 2,3-disubstituted 1,4-diazabicyclo[2.2.2]octane derivatives.

    PubMed

    Periasamy, Mariappan; Edukondalu, Athukuri; Reddy, Polimera Obula

    2015-04-01

    Racemic 2,3-diaryl-1,4-diazabicyclo[2.2.2]octane (DABCO) derivatives are synthesized from the readily accessible piperazines in 50-64% yield by cyclization using ethylene bromide, triethylamine, and KI at 80 °C. The enantiomerically enriched 2,3-diphenylpiperazine and the 2,3-bis(1-naphthyl)piperazine derivatives are prepared by a resolution method using commercially available optically active acids, yielding the corresponding DABCO derivatives in 51-64% yield with up to 99% ee. This mild cyclization can also be applied to enantiopure camphanyldiamine derivatives, and the products are obtained in 72-86% yields.

  12. Isotope shifts of the 2 p3 /2-2 p1 /2 transition in B-like ions

    NASA Astrophysics Data System (ADS)

    Zubova, N. A.; Malyshev, A. V.; Tupitsyn, I. I.; Shabaev, V. M.; Kozhedub, Y. S.; Plunien, G.; Brandau, C.; Stöhlker, Th.

    2016-05-01

    Isotope shifts of the 2 p3 /2-2 p1 /2 transition in B-like ions are evaluated for a wide range of the nuclear charge number: Z =8 -92 . The calculations of the relativistic nuclear recoil and nuclear size effects are performed using a large-scale configuration-interaction Dirac-Fock-Sturm method. The corresponding QED corrections are also taken into account. The results of the calculations are compared with the theoretical values obtained with other methods. The accuracy of the isotope shifts of the 2 p3 /2-2 p1 /2 transition in B-like ions is significantly improved.

  13. Activity and diffusivity of oxygen in liquid Ag-Yb1Ba2Cu3 and Tl1Ba2Ca2Cu3 alloys

    NASA Astrophysics Data System (ADS)

    Chou, H.; Chen, H. S.; Fang, W. C.; Wu, M. K.

    1992-12-01

    We have measured the activity and diffusivity of oxygen in liquid Ag-Yb1Ba2Cu3 and Tl1Ba2Ca2Cu3 at 930 and 900 °C, respectively, by a modified coulometric titration method on the galvanic cell: O_ in liquid alloys/yttria stabilized zirconia/air, Pt. The standard Gibbs formation energy and the diffusivity of oxygen in liquid Ag-Yb1Ba2Cu3 alloy for 1/2O2(1 atm)→O_(1 at. %) are determined to be ΔG=-247.4 kJ/g atom, and D=1.52×10-4 cm2/s. The oxygen solubility Cs in the Ag-Yb1Ba2Cu3 alloy is 0.0913 at. %, a factor of 5.5 higher than that in Yb1Ba2Cu3 alloy. The addition of Ag does not alter the growth mechanism and the oxygen diffusion controls the film growth. The growth speed is enhanced as a result of the enhanced oxygen solubility. ΔG and the diffusion coefficient of oxygen in the Tl1Ba2Ca2Cu3 liquid alloy are -257 kJ/g atom and 1.2×10-4 cm2/s, respectively. The oxygen solubility of the Tl1Ba2Ca2Cu3 alloy at 900 °C is found to be very high at ˜5.74 at. %. All thermodynamic data for oxygen in the precursor alloys are consistent with each other but there is a deviation of activity coefficient with composition for the different alloys from the theoretical model.

  14. Influence of dough ingredients on 3-chloropropane-1,2-diol (3-MCPD) formation in toast.

    PubMed

    Breitling-Utzmann, C M; Hrenn, H; Haase, N U; Unbehend, G M

    2005-02-01

    The influence of different dough ingredients such as fat, salt, sourdough, emulsifiers, and sugar on the formation of 3-chloropropane-1,2-diol (3-MCPD) during toast preparation under domestic conditions was investigated. In comparison with a fat-free recipe, addition of 1% peanut fat considerably increased 3-MCPD formation, but varying the fat (2-5%) or salt (1.6-2.4%) contents within technological acceptable limits did not show any significant differences. A baking agent, which is usually commercially applied by many toast bakers or industrial toast manufacturers, increased 3-MCPD formation in toasted bread slices. Considerable evidence was found that the baking agent's main component sucrose had the major part in increasing 3-MCPD levels. Emulsifiers containing monoacylglycerols moderately increased 3-MCPD levels, but the addition of lecithin did not have any significant influence. 3-MCPD levels showed a good correlation with the lightness (L* value) of the bread slices; their 3-MCPD content increased exponentially towards dark coloured toasts. The relation between 3-MCPD and 2-MCPD was an average of 3:1 in all samples. Dichloropropanols such as, for example, 1,3-dichloropropanol could not be detected.

  15. Synthesis of [PdL(NH3)2](PF6)2 (L = 1,1'-di(alkyl)-3,3'-methylenediimidazolin-2,2'-diylidene) complexes and their reactivities towards N-donors.

    PubMed

    Chen, Chao; Chen, Wanzhi; Qiu, Huayu

    2012-11-21

    The reaction of neutral palladium complexes PdLBr2 (L = 1,1′-di(alkyl)-3,3′-methylenediimidazolin-2,2′-diylidene) with NH4PF6 in CH3CN afforded [PdL(NH3)2](PF6)2 (13, L1, alkyl = Me; L2, alkyl = Et; L3, alkyl = iso-Pr) and [PdL4(CH3CN)2](PF6)2 (4, alkyl = Mes). Treatment of [PdL(NH3)2](PF6)2 complexes with N-donors, 9-ethyl-3,6-diimidazolyl-carbazole (dicz), mercaptopyridine (HSPy), 3,5-dimethyl-1H-pyrazole (Hdmpz), and 1,2-dibenzoylhydrazine (H2dbhz) resulted in the substitution of NH3 forming dinuclear palladium complexes [PdL1(dicz)]2(PF6)4 (5), [PdL1(SPy)]2(PF6)2 (6), [PdL2(dmpz)]2(PF6)2 (7), [(PdL2)2(dbhz)] (8). Reaction of [PdL2(NH3)2](PF6)2 with hydrazine led to a mixture of [Pd(L2)2](PF6)2 (9) and [PdL2(NH2N=C(CH3)NHNH2)](PF6)2 (10). The NH2N=C(CH3)NHNH2 moiety was formed in situ by nucleophilic addition to CH3CN by two molecules of NH2NH2 and subsequent NH3 elimination. All of these complexes have been fully characterized by ESI-MS, NMR spectroscopy, and elemental analysis. The molecular structures of 1 and 5–10 were also studied by X-ray diffraction analysis.

  16. Nuclear magnetic resonance evidence for the dimer formation of beta amyloid peptide 1-42 in 1,1,1,3,3,3-hexafluoro-2-propanol.

    PubMed

    Shigemitsu, Yoshiki; Iwaya, Naoko; Goda, Natsuko; Matsuzaki, Mizuki; Tenno, Takeshi; Narita, Akihiro; Hoshi, Minako; Hiroaki, Hidekazu

    2016-04-01

    Alzheimer's disease involves accumulation of senile plaques in which filamentous aggregates of amyloid beta (Aβ) peptides are deposited. Recent studies demonstrate that oligomerization pathways of Aβ peptides may be complicated. To understand the mechanisms of Aβ(1-42) oligomer formation in more detail, we have established a method to produce (15)N-labeled Aβ(1-42) suited for nuclear magnetic resonance (NMR) studies. For physicochemical studies, the starting protein material should be solely monomeric and all Aβ aggregates must be removed. Here, we succeeded in fractionating a "precipitation-resistant" fraction of Aβ(1-42) from an "aggregation-prone" fraction by high-performance liquid chromatography (HPLC), even from bacterially overexpressed Aβ(1-42). However, both Aβ(1-42) fractions after 1,1,1,3,3,3-hexafluoro-2-propanol (HFIP) treatment formed amyloid fibrils. This indicates that the "aggregation seed" was not completely monomerized during HFIP treatment. In addition, Aβ(1-42) dissolved in HFIP was found to display a monomer-dimer equilibrium, as shown by two-dimensional (1)H-(15)N NMR. We demonstrated that the initial concentration of Aβ during the HFIP pretreatment altered the kinetic profiles of Aβ fibril formation in a thioflavin T fluorescence assay. The findings described here should ensure reproducible results when studying the Aβ(1-42) peptide. PMID:26772162

  17. One dimensional 1H, 2H and 3H

    NASA Astrophysics Data System (ADS)

    Vidal, A. J.; Astrakharchik, G. E.; Vranješ Markić, L.; Boronat, J.

    2016-05-01

    The ground-state properties of one-dimensional electron-spin-polarized hydrogen 1H, deuterium 2H, and tritium 3H are obtained by means of quantum Monte Carlo methods. The equations of state of the three isotopes are calculated for a wide range of linear densities. The pair correlation function and the static structure factor are obtained and interpreted within the framework of the Luttinger liquid theory. We report the density dependence of the Luttinger parameter and use it to identify different physical regimes: Bogoliubov Bose gas, super-Tonks-Girardeau gas, and quasi-crystal regimes for bosons; repulsive, attractive Fermi gas, and quasi-crystal regimes for fermions. We find that the tritium isotope is the one with the richest behavior. Our results show unambiguously the relevant role of the isotope mass in the properties of this quantum system.

  18. Growth and domain structures of novel piezoelectric crystals Pb(In1/2Nb1/2)O3-Pb(Mg1/3Nb2/3)O3-PbTiO3

    NASA Astrophysics Data System (ADS)

    Xu, Guisheng; Yang, Danfeng; Li, Junbao

    2011-03-01

    Large Pb(In1/2Nb1/2)O3-Pb(Mg1/3Nb2/3)O3-PbTiO3 (PIMNT) crystals with the size of Φ55×100 mm have been successfully grown by the Bridgman method. The as-grown PIMNT crystals not only show excellent piezoelectric properties but also high Curie temperature, high rhombohedral-tetragonal phase transition temperature and high coercive field. Domain structure and phase transition process of PIMNT crystals were observed in-situ by means of polarizing light microscopy (PLM). As for the rhombohedral PIMNT crystals, the rhombohedral-tetragonal phase transition and the ferroelectric to paraelectric phase transition could be observed obviously in the heating procedure whereas these phase transitions could not be seen clearly in the successive cooling procedure. As for the tetragonal PIMNT crystals, the ferroelectric to paraelectric (T-C) phase transition could be observed obviously in both the heating and cooling procedures. This may attribute to the difference in the relaxor ferroelectrics and normal ones.

  19. Crystal structure of 1-mesityl-3-methyl-4-phenyl-1H-1,2,3-triazol-3-ium iodide.

    PubMed

    Canseco-González, Daniel; García, Juventino J; Flores-Alamo, Marcos

    2015-12-01

    In the cation of the title salt, C18H20N3 (+)·I(-), the mesityl and phenyl rings are inclined to the central triazolium ring by 61.39 (16) and 30.99 (16)°, respectively, and to one another by 37.75 (15)°. In the crystal, mol-ecules are linked via C-H⋯I hydrogen bonds, forming slabs parallel to the ab plane. Within the slabs there are weak π-π inter-actions present involving the mesityl and phenyl rings [inter-centroid distances are 3.8663 (18) and 3.8141 (18) Å]. PMID:26870488

  20. Crystal structure of 1-mesityl-3-methyl-4-phenyl-1H-1,2,3-triazol-3-ium iodide

    PubMed Central

    Canseco-González, Daniel; García, Juventino J.; Flores-Alamo, Marcos

    2015-01-01

    In the cation of the title salt, C18H20N3 +·I−, the mesityl and phenyl rings are inclined to the central triazolium ring by 61.39 (16) and 30.99 (16)°, respectively, and to one another by 37.75 (15)°. In the crystal, mol­ecules are linked via C—H⋯I hydrogen bonds, forming slabs parallel to the ab plane. Within the slabs there are weak π–π inter­actions present involving the mesityl and phenyl rings [inter-centroid distances are 3.8663 (18) and 3.8141 (18) Å]. PMID:26870488

  1. 1-[2-(2-Methoxyphenylamino)ethylamino]-3-(naphthalene-1-yloxy)propan-2-ol as a potential anticancer drug.

    PubMed

    Kanno, Takeshi; Tanaka, Akito; Shimizu, Tadashi; Nakano, Takashi; Nishizaki, Tomoyuki

    2013-01-01

    The aim of the present study was to assess the anticancer effect of several naftopidil analogues on human malignant mesothelioma cell lines NCI-H28, NCI-H2052, NCI-H2452, and MSTO-211H, human lung cancer cell lines A549, SBC-3, and Lu-65, human hepatoma cell lines HepG2 and HuH-7, human gastric cancer cell lines MKN-28 and MKN-45, and human bladder cancer cell lines 253J, 5637, KK-47, TCCSUP, T24, and UM-UC-3, human prostate cancer cell lines DU145, LNCap, and PC-3, and human renal cancer cell lines ACHN, RCC4-VHL, and 786-O. We newly synthesized 21 naftopidil analogues, and of them 1-[2-(2-methoxyphenylamino)ethylamino]-3-(naphthalene-1-yloxy)propan-2-ol (HUHS1015) most efficiently reduced cell viability for all the investigated malignant mesothelioma cell lines in a concentration (1-100 μmol/l)-dependent manner. HUHS1015 reduced cell viability for all other investigated cancer cell lines, to an extent similar to that for malignant mesothelioma cell lines. HUHS1015 activated caspase-3 and -4, without activating caspase-8 and -9, in malignant mesothelioma cell lines. The results of the present study, thus, indicate that HUHS1015 induces apoptosis in a variety of cancer cells, possibly by activating caspase-4 and the effector caspase-3.

  2. Review of Whole person healthcare, Volumes 1, 2, & 3 (2007).

    PubMed

    Harvey, Richard

    2009-06-01

    Reviews the book, Whole person healthcare, Volumes 1, 2, & 3 by I. A. Serlin, M. A. DiCowden, K. Rockefeller, S. Brown, J. Sonke-Henderson, R. Brandman, and J. Graham-Pole (2007). With the more-than-1,000-page tour de force titled Whole Person Healthcare, Ilene Serlin, current president of the San Francisco Psychological Association, has purposefully edited a three-volume series aimed at humanizing the fields of psychotherapy and health care. Throughout the series, all of the authors carry the message that integrative treatment strategies in psychotherapy and health care are more valuable than reductionist "treat the symptom rather than the person" approaches as a way to humanize patient-client interaction. Whole Person Healthcare persuasively presents the principle reasons for integrating human-centered strategies into psychotherapeutic and health care practices. Volume 1 of the series, Humanizing Healthcare, sets the tone for the other two volumes, providing a conceptual scaffold for framing humanistic and positive psychological theories within an applied health care setting. Volume 2 of the series, Psychology, Spirituality, and Health, focuses on presenting concrete, evidence-based examples of integrative therapeutic techniques such as imagery and visualization, meditation, meaning finding, prayer and psychospiritual practices, yoga, tai chi, and qi gong. Volume 3 of the series, The Arts and Health, provides a critically important contribution to the field because the art therapies are so often forgotten in the world of managed health care. Volume 3 gives evidence-based examples of the valuable contributions of artistic interactions within therapeutic contexts. The collection of readings in Whole Person Healthcare covers a wide spectrum of modern healing approaches, and this series is a must for any practitioner of integrative, holistic therapies. However, there are two practical barriers of note. First is cost: The price is too steep for most readers

  3. Synthesis and biological activity of 3-(2, 8, 9-trioxa-aza-1-germatricyclo [3. 3. 3. 0] undecane-1-yl)-caffeic acid.

    PubMed

    Ye, Lianbao; Luo, Yan; Peng, Xuedong; Zhou, Yuping; Ou, Xiaomin

    2009-07-01

    The new germanium compound of caffeic acid, (1), has been obtained to compare anti-tumor activities with 3-(2, 8, 9-trioxa-aza-1-germatricyclo[3. 3. 3. 0]undecane-1-yl)-hydroxycinnamic acids which have been researched previously. Compound was prepared which mainly used caffeic acid, germanium dioxide, sodium hypophosphite, triethanolamine as materials by reducing reaction, Micheal addition reaction and transesterification. The structure is comfirmed by (1)H-NMR and MS. Biological investigation has demonstrated that the compound is stronger anti-tumor activity than 3-(2, 8, 9-trioxa-aza-1-germatricyclo[3. 3. 3. 0]undecane-1-yl)-hydroxylcinnamic acids with lower toxicity.

  4. Inhalation pharmacokinetics of 1,3-butadiene and 1,2-epoxybutene-3 in rats and mice

    SciTech Connect

    Laib, R.J.; Kreiling, R.; Vangala, R.R.; Bolt, H.M. ); Filser, J.G. )

    1990-06-01

    Studies were conducted on inhalation pharmacokinetics of 1,3-butadiene and of its primary reactive metabolic intermediate 1,2-epoxybutene-3 in rates (Sprague-Dawley) and mice (B6C3F{sub 1}). Investigations of inhalation pharmacokinetics of 1,3-butadiene revealed saturation kinetics of 1,3-butadiene metabolism in both species. For rats and mice linear pharmacokinetics apply at exposure concentrations below 1,000 ppm 1,3-butadiene; saturation of 1,3-butadiene metabolism is observed at atmospheric concentrations of about 2,000 ppm. The estimated maximal metabolic elimination rates were 400 {mu}mole/hr/kg for mice and 200 {mu}mole/hr/kg for rats. This shows that 1,3-butadiene is metabolized by mice at about twice the rate of rats. Investigations of inhalation pharmacokinetics of 1,2-epoxybutene-3 revealed major differences in metabolism of this compound between both species. After exposure of rats and mice to (1,4-{sup 14}C)1,3-butadiene, covalent binding of ({sup 14}C)butadiene-derived radioactivity could be detected. In both species, comparable amounts of radioactivity were associated with liver DNA. Covalent binding to nucleoproteins was twice as high in mice when compared to rats, and thus it paralleled the higher metabolic rate for 1,3-butadiene in this species. The authors conclude, that in addition to the higher metabolism of 1,3-butadiene in mice, limited detoxification and thus accumulation of its primary reactive intermediate 1,2-epoxybutene-3 must be a major determinant for the higher susceptibility of mice to 1,3-butadiene-induced carcinogenesis.

  5. Synthesis, resolution and anticonvulsant activity of chiral N-1'-ethyl,N-3'-(1-phenylethyl)-(R,S)-2'H,3H,5'H-spiro-(2-benzofuran-1,4'-imidazolidine)-2',3,5'-trione diastereomers.

    PubMed

    Sadarangani, Ishwar R; Bhatia, Souful; Amarante, Daniel; Lengyel, Istvan; Stephani, Ralph A

    2012-04-01

    Four new N-1',N-3'-disubstituted-2'H,3H,5'H-spiro-(2-benzofuran-1,4'-imidazolidine)-2',3,5'-triones bearing a chiral N-3' substituent were synthesized, resolved and their anticonvulsant activity was obtained and determined that the activity was not stereoselective. PMID:22401865

  6. Synthesis, resolution and anticonvulsant activity of chiral N-1'-ethyl,N-3'-(1-phenylethyl)-(R,S)-2'H,3H,5'H-spiro-(2-benzofuran-1,4'-imidazolidine)-2',3,5'-trione diastereomers.

    PubMed

    Sadarangani, Ishwar R; Bhatia, Souful; Amarante, Daniel; Lengyel, Istvan; Stephani, Ralph A

    2012-04-01

    Four new N-1',N-3'-disubstituted-2'H,3H,5'H-spiro-(2-benzofuran-1,4'-imidazolidine)-2',3,5'-triones bearing a chiral N-3' substituent were synthesized, resolved and their anticonvulsant activity was obtained and determined that the activity was not stereoselective.

  7. 3-Benzyl-2-(4-fluorophenyl)-1,3-thiazolidin-4-one.

    PubMed

    Gutiérrez, Alexander; Insuasty, Braulio; Cobo, Justo; Glidewell, Christopher

    2011-01-01

    The title compound, C(16)H(14)FNOS, crystallizes with Z' = 2 in the space group P2(1)/c. In one of the two independent molecules, the heterocyclic ring is effectively planar, but in the other molecule this ring adopts an envelope conformation. The molecules are weakly linked by two C-H···O hydrogen bonds to form C(2)(2)(14) chains. Comparisons are made with some symmetrically substituted 2-aryl-3-benzyl-1,3-thiazolidin-4-ones.

  8. 1,3-Dipolar cycloaddition of sugar azides with benzyne: a novel synthesis of 1,2,3-benzotriazolyl glycoconjugates.

    PubMed

    Subba Reddy, Basi V; Praneeth, Karanam; Yadav, Jhillu S

    2011-06-01

    Glycosyl azides undergo smooth 1,3-dipolar cycloaddition with benzyne generated in situ from 2-(trimethylsilyl)phenyltrifluoromethanesulfonate and cesium fluoride under mild conditions to furnish 1,2,3-benzotriazole-linked glycoconjugates in excellent yields and with high stereoselectivity. This method provides a novel class of benzotriazole linked glycoconjugates in a single-step reaction. This is the first example of a fluoride- triggered 1,3-dipolar cycloaddition of benzyne with glycosyl azides.

  9. Identification of a series of 3-(benzyloxy)-1-azabicyclo[2.2.2]octane human NK1 antagonists.

    PubMed

    Swain, C J; Seward, E M; Cascieri, M A; Fong, T M; Herbert, R; MacIntyre, D E; Merchant, K J; Owen, S N; Owens, A P; Sabin, V

    1995-11-24

    The synthesis and in vitro and in vivo evaluation of a series of 3-(benzyloxy)-1-azabicyclo-[2.2.2]octane NK1 antagonists are described. While a number of 3,5-disubstituted benzyl ethers afford high affinity, the 3,5-bis(trifluoromethyl)benzyl was found to combine high in vitro affinity with good oral activity. Detailed structure-activity relationship studies in conjunction with data from molecular modeling and mutagenesis work have allowed the construction of a model of the pharmacophore. Specific interactions that have been identified include an interaction between His-197 and one of the rings of the benzhydryl, a lipophilic pocket containing His-265 that the benzyl ether occupies, and a possible hydrogen bond between Gln-165 and the oxygen of the benzyl ether.

  10. 40 CFR 721.10594 - Hexanedioic acid, polymer with 2,2-dimethyl-1,3-propanediol, 1,6-hexanediol, hydrazine, 3-hydroxy...

    Code of Federal Regulations, 2014 CFR

    2014-07-01

    ... 40 Protection of Environment 31 2014-07-01 2014-07-01 false Hexanedioic acid, polymer with 2,2-dimethyl-1,3-propanediol, 1,6-hexanediol, hydrazine, 3-hydroxy-2-(hydroxymethyl)-2-methylpropanoic acid, 5-isocyanato-1-(isocyanatomethyl)-1,3,3-trimethylcyclohexane and 1,1â²- bis , iso-Bu alc.-blocked, compds. with triethylamine. 721.10594 Section...

  11. 40 CFR 721.10594 - Hexanedioic acid, polymer with 2,2-dimethyl-1,3-propanediol, 1,6-hexanediol, hydrazine, 3-hydroxy...

    Code of Federal Regulations, 2013 CFR

    2013-07-01

    ... 40 Protection of Environment 32 2013-07-01 2013-07-01 false Hexanedioic acid, polymer with 2,2-dimethyl-1,3-propanediol, 1,6-hexanediol, hydrazine, 3-hydroxy-2-(hydroxymethyl)-2-methylpropanoic acid, 5-isocyanato-1-(isocyanatomethyl)-1,3,3-trimethylcyclohexane and 1,1â²- bis , iso-Bu alc.-blocked, compds. with triethylamine. 721.10594 Section...

  12. Fluorination of 1,2,3-, 1,2,4-, and 1,3,5-trihalobenzenes with potassium fluoride in dimethyl sulfone

    USGS Publications Warehouse

    Shiley, R.H.; Dickerson, D.R.; Finger, G.C.

    1972-01-01

    Three trifluorobenzenes were prepared by reaction of the corresponding trichlorobenzenes with potassium fluoride or pottassium fluoride-cesium fluoride mixtures in dimethyl sulfone. Molar yields were 12.8% for 1,2,3-, 8.3% for 1,2,4-, and 56.2% for 1,3,5-. Improved yields of the 1,2,3- (23.9%) and the 1,2,4- (34.0%) trifluorobenzenes were obtained from certain partially fluorinated intermediates. Several chlorofluorobenzene intermediates were obtained in goods yields by careful control of the reaction variables. The instability of the polyfluorobenzenes in the halogen-exchange reaction medium explains, in part, why only limited yields of the polyfluorobenzenes are obtained by using this method. ?? 1972.

  13. Higher derivative massive spin-3 models in D =2 +1

    NASA Astrophysics Data System (ADS)

    Dalmazi, D.; Mendonça, E. L.

    2016-07-01

    We find new higher derivative models describing a parity doublet of massive spin-3 modes in D =2 +1 dimensions. One of them is of fourth order in derivatives while the other one is of sixth order. They are complete, in the sense that they contain the auxiliary scalar field required to remove spurious degrees of freedom. Both of them are obtained through the master action technique starting with the usual (second-order) spin-3 Singh-Hagen model, which guarantees that they are ghost free. The fourth- and sixth-order terms are both invariant under (transverse) Weyl transformations, quite similarly to the fourth-order K -term of the "new massive gravity." The sixth-order term slightly differs from the product of the Schouten by the Einstein tensor, both of third order in derivatives. It is also possible to write down the fourth-order term as a product of a Schouten-like by an Einstein-like tensor (both of second order in derivatives) in close analogy with the K -term.

  14. Structural studies of 1-phenyl-2,3-dimethyl-5-oxo-1,2-dihydro-1H-pyrazol-4-ammonium 2[(2-carboxyphenyl) disulfanyl]benzoate

    NASA Astrophysics Data System (ADS)

    Fazil, Shiji; Ravindran, Reena; Sarau Devi, A.; Bijili, B. K.

    2012-08-01

    Reaction of 4-aminoantipyrine with 2-mercaptobenzoic acid afforded a proton transfer derivative, 1-phenyl-2,3-dimethyl-5-oxo-1,2-dihydro-1H-pyrazol-4-ammonium 2[(2-carboxyphenyl) disulfanyl]benzoate, (HAAP+ṡHTBA-), via the oxidation of 2-mercaptobenzoic acid into 2,2'-dithiobis(benzoic acid). The compound has been characterized on the basis of elemental analysis, IR, 1H and 13C NMR and mass spectral data. The infrared spectrum suggests the existence of an ion-pair compound, which is further established by the single crystal X-ray analysis to be an extended 1D supramolecular chain network extending along 'b' cell direction. The compound shows good thermal stability.

  15. 1,2,3,3',4',6'-Hexaacetyl-4,6-O-benzyl-idenesucrose.

    PubMed

    Brito-Arias, Marco A; Soto-Ortega, Miguel; García-Báez, Efrén V

    2011-01-01

    In the title compound, C(31)H(38)O(17), the 1,3-dioxane and pyran-oside rings both show (4)C(1) chair conformations while for the d-fructofuran-oside moiety an envelop 3E conformation is observed. The phenyl ring is oriented almost perpendicular to the 1,3-dioxane ring [dihedral angle = 79.3 (2)°], and the acetate groups are equatorial for the pyran-oside ring and axial for the furan-oside ring. The analysis of potential hydrogen bonds shows both intra- and inter-molecular C-H⋯O contacts to be present. PMID:21523142

  16. Beyond the Dimer and Trimer: Tetraspiro[2.1.2(5).1.2(9).1.2(13).1(3)] hexadecane-1,3,5,7-tetraone--the Cyclic Tetramer of Carbonylcyclopropane.

    PubMed

    Sedenkova, Kseniya N; Averina, Elena B; Grishin, Yuri K; Andriasov, Kristian S; Stepanova, Svetlana A; Roznyatovsky, Vitaly A; Kutateladze, Andrei G; Rybakov, Victor B; Albov, Dmitry V; Kuznetsova, Tamara S; Zefirov, Nikolay S

    2016-03-14

    Tetraspiro[2.1.2(5).1.2(9).1.2(13).1(3)]hexadecane-1,3,5,7-tetraone 4, a unique tetraketone containing a cyclooctane core and four spiroannelated cyclopropane moieties, represents the previously unknown cyclotetramer of carbonylcyclopropane. For this purpose oxidation of the parent polyspirocyclic hydrocarbon was examined under various oxidative conditions, and the reactivity of oxidants towards methylene groups of the eight-membered cycle, activated by adjacent spirocyclopropane rings, was evaluated and contrasted. Whereas the treatment of tetraspirohexadecane with ozone resulted in monooxidation, its reaction with methyl(trifluoromethyl)dioxirane afforded the product of four-fold oxidation, triketoalcohol 10. Subsequent oxidation of the latter with Dess-Martin periodinane gave the target tetraketone 4.

  17. Broadband inelastic light scattering study on relaxor ferroelectric Pb(In1/2Nb1/2)-Pb(Mg1/3Nb2/3)O3-PbTiO3 single crystals

    NASA Astrophysics Data System (ADS)

    Hyun Kim, Tae; Kojima, Seiji; Ko, Jae-Hyeon

    2014-06-01

    The broadband inelastic light scattering spectra of ternary Pb(In1/2Nb1/2)-Pb(Mg1/3Nb2/3)O3-PbTiO3 single crystals were investigated as a function of temperature and crystal orientation by combining Raman and Brillouin spectroscopies. The angular dependence of the strong Raman peak located at ˜50 cm-1 was investigated at 300 °C. The intensity variation of this mode with rotation angle was compatible with the F2g mode of Fm3¯m symmetry, suggesting that this mode arises from the 1:1 chemical order at the B-site in this perovskite structure. The temperature evolution of the polar nanoregions was associated with the growth of two central peaks and the change in the intensity of some Raman peaks, which were known to be sensitive to the rhombohedral symmetry. Both relaxation processes exhibited partial slowing-down behaviors with a common critical temperature of ˜160 °C. Poling the crystal along the [001] direction induced abrupt changes in some of the Raman bands at the rhombohedral-tetragonal phase transition. On the other hand, the diffuse tetragonal-cubic phase transition was not affected by the poling process. This high-temperature phase transformation seems to be smeared out by the inherent disorder and strong random fields enhanced by the addition of Pb(In1/2Nb1/2) into Pb(Mg1/3Nb2/3)O3-PbTiO3.

  18. ITOUGH2 command reference. Version 3.1

    SciTech Connect

    Finsterle, S.

    1997-04-01

    This report contains a detailed description of all ITOUGH2 commands. It complements the ITOUGH2 User`s Guide and the collection of ITOUGH2 sample problems. ITOUGH2 is a program for parameter estimation, sensitivity analysis, and uncertainty propagation analysis. It is based on the TOUGH2 simulator for non-isothermal multiphase flow in fractured and porous media. Extensive experience in using TOUGH2 is a prerequisite for using ITOUGH2. The preparation of an input file for TOUGH2 or its derivatives is described in separate manuals and is not part of this report. The ITOUGH2 user`s guide summarizes the inverse modeling theory pertaining to ITOUGH2, and describes the program output. Furthermore, information about code architecture and installation are given. In Chapter 2 of this report, a brief summary of inverse modeling theory is given to restate the main concepts implemented in ITOUGH2 and to introduce certain definitions. Chapter 3 introduces the basic concepts of the ITHOUGH2 input language and the main structure of an ITOUGH2 input file. Chapter 4, the main part of this report, provides detailed descriptions of each ITOUGH2 command in alphabetical order. It is complemented by a command index in Appendix B in which the commands are given in logical order. The content of Chapter 4 is also available on-line using command it2help. Chapter 5 describes the usage of the UNIX script files for executing, checking, and terminating ITOUGH2 simulations.

  19. Synthesis of 3-[(2,3-dihydro-1,1,3-trioxo-1,2-benzisothiazol-2-yl)alkyl] 1,4-dihydropyridine-3,5-dicarboxylate derivatives as calcium channel modulators.

    PubMed

    Sunkel, C E; Fau de Casa-Juana, M; Santos, L; García, A G; Artalejo, C R; Villarroya, M; González-Morales, M A; López, M G; Cillero, J; Alonso, S

    1992-06-26

    1,4-Dihydropyridine (DHP) derivatives with a 1,2-benzisothiazol-3-one 1,1-dioxide group, linked through an alkylene bridge to the C-3 carboxylate of the DHP ring, with both vasoconstricting and vasorelaxant properties were obtained. In blocking Ca(2+)-evoked contractions of K(+)-depolarized rabbit aortic strips, compounds 12 and 41 were 10-fold more potent than nifedipine; 27 other compounds were 1-4-fold more potent. Their vascular versus cardiac selectivity was very pronounced; for instance, the selectivity index for compound 41 was 70-fold higher than that of nifedipine. This was also true for the vasoconstricting compound 22, which was as potent as Bay K 8644 in enhancing the Ca(2+)-evoked contractions of rabbit aorta strips, yet it had poor inotropic activity in rabbit left atria. Oral administration of compounds 38, 40, 43, and 53 (20 mg/kg) caused a 35-37% decrease in systolic blood pressure in spontaneously hypertensive rats (SHR); these effects were similar to those of nifedipine. However, iv administration of these compounds to anesthetized SHR caused a decrease in blood pressure which was more pronounced and long-lasting than that of nifedipine. When administered iv at 100 micrograms/kg, the vasoconstricting compound 22 caused a 40% increase in systolic and diastolic blood pressure. Compound 22 exhibited an unusually interesting feature over the other five Ca2+ DHP agonists: it had diester substitutions at the C-3 and C-5 positions of the DHP ring. Overall, compounds possessing these properties might be useful in treating clinical cardiovascular conditions in which DHP Ca2+ antagonists or agonists are indicated.

  20. 2,2'-OXO-1, 1 '-azobenzene A microbially transformed allelochemical from 2,3-Benzoxazolinone: I.

    PubMed

    Nair, M G; Whitenack, C J; Putnam, A R

    1990-02-01

    2,2'-Oxo-1,1 '-azobenzene (AZOB), a compound with strong herbicidal activity, was isolated and characterized from a soil supplemented with 2,3-benzoxazolinone (BOA). A parallel experiment with 6-methoxy-2,3-benzoxazolinone (MBOA) yielded AZOB as well as its mono-(MAZOB) and dimethoxy-(DIMAZOB) derivatives. These compounds were produced only in the presence of soil microorganisms, via possible intermediates, I and II, which may dimerize or react with the parent molecule to form the final products. In the case of MBOA, it was shown that demethoxylation precedes the oxidation step. Although BOA and 2,4-dihydroxy-1,4(2H)-benzoxazin-3-one (DIBOA) were leached out of rye residues, there were no detectable amounts of the biotransformation products in the soil. When BOA was mixed with soil and rye residue, either under field conditions or in vitro, AZOB was detected. Levels of free BOA in the soil were greatly reduced by incubation with rye residue. AZOB was more toxic to curly cress (Lepidium sativum L.) and barnyardgrass (Echinochloa crusgatti L.) than either DIBOA or BOA.

  1. BSA Delta Qualification 2, volume 3, book 1

    NASA Technical Reports Server (NTRS)

    1994-01-01

    This report, presented in three volumes, provides the results of a two-motor Delta Qualification 2 program conducted in 1993 to certify the following enhancements for incorporation into booster separation motor (BSM) flight hardware: vulcanized-in-place nozzle aft closure insulation; new iso-static ATJ bulk graphite throat insert material; adhesive EA 9394 for bonding the nozzle throat, igniter grain rod/centering insert/igniter case; deletion of the igniter adapter insulator ring; deletion of the igniter adapter/igniter case interface RTV; and deletion of Loctite from igniter retainer plate threads. The enhancements above directly resulted from (1) the BSM total quality management (TQM) team initiatives to enhance the BSM producibility, and (2) the necessity to qualify new throat insert and adhesive systems to replace existing materials that will not be available. Testing was completed at both the component and motor levels. Component testing was accomplished to screen candidate materials (e.g., throat materials, adhesive systems) and to optimize processes (e.g., aft closure insulator vulcanization approach) prior to their incorporation into the test motors. Motor tests -- consisting of two motors, randomly selected by USBI's on-site quality personnel from production lot AAY, which were modified to accept the enhancements -- were completed to provide the final qualification of the enhancements for incorporation into flight hardware. Volume 3 book 1 provides supporting documentation to the analyses and plans of testing the two Delta Qualification units including thermal cycling planning/data acceptance records, environmental test procedures and pretest temperature conditioning history, Delta Qualification test plan, and specification SE0837 -- mix acceptance test specification.

  2. BSA Delta Qualification 2, volume 3, book 1

    NASA Astrophysics Data System (ADS)

    1994-11-01

    This report, presented in three volumes, provides the results of a two-motor Delta Qualification 2 program conducted in 1993 to certify the following enhancements for incorporation into booster separation motor (BSM) flight hardware: vulcanized-in-place nozzle aft closure insulation; new iso-static ATJ bulk graphite throat insert material; adhesive EA 9394 for bonding the nozzle throat, igniter grain rod/centering insert/igniter case; deletion of the igniter adapter insulator ring; deletion of the igniter adapter/igniter case interface RTV; and deletion of Loctite from igniter retainer plate threads. The enhancements above directly resulted from (1) the BSM total quality management (TQM) team initiatives to enhance the BSM producibility, and (2) the necessity to qualify new throat insert and adhesive systems to replace existing materials that will not be available. Testing was completed at both the component and motor levels. Component testing was accomplished to screen candidate materials (e.g., throat materials, adhesive systems) and to optimize processes (e.g., aft closure insulator vulcanization approach) prior to their incorporation into the test motors. Motor tests -- consisting of two motors, randomly selected by USBI's on-site quality personnel from production lot AAY, which were modified to accept the enhancements -- were completed to provide the final qualification of the enhancements for incorporation into flight hardware. Volume 3 book 1 provides supporting documentation to the analyses and plans of testing the two Delta Qualification units including thermal cycling planning/data acceptance records, environmental test procedures and pretest temperature conditioning history, Delta Qualification test plan, and specification SE0837 -- mix acceptance test specification.

  3. Rate and equilibrium constant of the reaction of 1-methylvinoxy radicals with O2: CH3COCH2 + O2<--> CH3COCH2O2.

    PubMed

    Hassouna, Melynda; Delbos, Eric; Devolder, Pascal; Viskolcz, Bela; Fittschen, Christa

    2006-06-01

    The reaction of 1-methylvinoxy radicals, CH3COCH2, with molecular oxygen has been investigated by experimental and theoretical methods as a function of temperature (291-520 K) and pressure (0.042-10 bar He). Experiments have been performed by laser photolysis coupled to a detection of 1-methylvinoxy radicals by laser-induced fluorescence LIF. The potential energy surface calculations were performed using ab inito molecular orbital theory at the G3MP2B3 and CBSQB3 level of theory based on the density function theory optimized geometries. Derived molecular properties of the characteristic points of the potential energy surface were used to describe the mechanism and kinetics of the reaction under investigation. At 295 K, no pressure dependence of the rate constant for the association reaction has been observed: k(1,298K) = (1.18 +/- 0.04) x 10(-12) cm3 s(-1). Biexponential decays have been observed in the temperature range 459-520 K and have been interpreted as an equilibrium reaction. The temperature-dependent equilibrium constants have been extracted from these decays and a standard reaction enthalpy of deltaH(r,298K) = -105.0 +/- 2.0 kJ mol(-1) and entropy of deltaS(r,298K) = -143.0 +/- 4.0 J mol(-1) K(-1) were derived, in excellent agreement with the theoretical results. Consistent heats of formation for the vinoxy and the 1-methylvinoxy radical as well as their O2 adducts are recommended based on our complementary experimental and theoretical study deltaH(f,298K) = 13.0 +/- 2.0, -32. 9+/- 2.0, -85.9 +/- 4.0, and -142.1 +/- 4.0 kJ mol(-1) for CH2CHO, CH3COCH2 radicals, and their adducts, respectively.

  4. Kinetics of the phase transition in crystals PbIn1/2Nb1/2O3-PbMg1/3Nb2/3O3- x PbTiO3

    NASA Astrophysics Data System (ADS)

    Kamzina, L. S.; Kulakova, L. A.

    2016-01-01

    The time dependences of the optical transmission, velocity of sound, and elastic constants at room temperature in a number of the [001]-oriented PbIn1/2Nb1/2O3-PbMg1/3Nb2/3O3- x PbTiO3 single crystals with the compositions lying both far from the morphotropic phase boundary and in its vicinity have been investigated. The analysis of the data obtained has been carried out. It has been shown that, in all the studied crystals, phase transitions induced by an electric field occur in two stages: the first stage is an incubation period associated with a small increase in the polarization of a part of the sample being in the glass phase, and the second phase (after the incubation period τ) is a rapid increase in the polarization and the formation of a long-range order. It has been found that the time τ depends on how close is the temperature of measurements to the Vogel-Fulcher temperature T f . The closer is the temperature of measurements to the Vogel-Fulcher temperature T f , the weaker is the electric field required to be applied to the sample in order to induce a ferroelectric phase. It has been demonstrated that the phase state of the studied crystals is unstable, which manifests itself in a strong dependence of the incubation period τ on the time between the annealing of the sample and the beginning of the measurements. The stability of the phase state depends on the PbTiO3 concentration: an increase in the concentration leads to a significant increase in the stability.

  5. Preparation, characterization of LiNi{sub 1/3}Mn{sub 1/3}Co{sub 1/3}O{sub 2} film cathode.

    SciTech Connect

    Kang, S. H.; Abraham, D. P.; Chemical Engineering

    2006-01-01

    Positive electrodes based on the LiNi{sub 1/3}Mn{sub 1/3}Co{sub 1/3}O{sub 2} material are being evaluated in high-power lithium-ion cells for hybrid-electric vehicle applications. To determine performance degradation mechanisms that are associated with the active material, we prepared carbon- and binder-free LiNi{sub 1/3}Mn{sub 1/3}Co{sub 1/3}O{sub 2} film cathode on a Pt substrate using a sol-gel spin coating technique. The material was characterized by X-ray diffraction, scanning electron microscopy, and X-ray photoelectron spectroscopy. Initial data from cyclic voltammetry, galvanostatic cycling, and electrochemical impedance spectroscopy measurements conducted on the electrodes are reported.

  6. 3-hydroxy-2(1H)-pyridinone chelating agents

    DOEpatents

    Raymond, K.; Xu, J.

    1999-04-06

    Disclosed is a series of improved chelating agents and the chelates formed from these agents, which are highly effective upon both injection and oral administration. Several of the most effective are of low toxicity. These chelating agents incorporate within their structure 3-hydroxy-2-pyridinone (3,2-HOPO) moieties with a substituted carbamoyl group ortho to the hydroxy group of the hydroxypyridinone ring. The electron-withdrawing carbamoyl group increases the acidity, as well as the chemical stability towards oxidation and reduction, of the hydroxypyridinones. In the metal complexes of the chelating agents, the amide protons form very strong hydrogen bonds with the adjacent HOPO oxygen donor, making these complexes very stable at physiological conditions. The terminal N-substituents provide a certain degree of lipophilicity to the 3,2-HOPO, increasing oral activity. 2 figs.

  7. Rosetta-Orbiter Check MIDAS 3 CR2 PC1-2 V1.0

    NASA Astrophysics Data System (ADS)

    Torkar, K.; Jeszenszky, H.; Romstedt, J.

    2010-01-01

    The Micro-Imaging Dust Analysis System (MIDAS) is an instrument on the ROSETTA Orbiter that will provide 3D images and statistical parameters of pristine cometary particles hitting the detector. This data set includes all data from the CRUISE 2 mission phase.

  8. Solid-state conversion of (Na1/2Bi1/2)TiO3-BaTiO3-(K1/2Na1/2)NbO3 single crystals and their piezoelectric properties

    NASA Astrophysics Data System (ADS)

    Park, Ji-Hoon; Lee, Ho-Yong; Kang, Suk-Joong L.

    2014-06-01

    Piezoelectric ceramic with a composition of (94 - x)(Na1/2Bi1/2)TiO3-6BaTiO3-x(K1/2Na1/2)NbO3 (NBT-BT-xKNN) is a promising lead-free piezoelectric material for actuator applications because of its giant electric-field-induced strains, which are comparable with that of soft Pb(ZrxTi1-x)O3 (PZT) ceramics. Using the solid-state single crystal growth method, we succeeded in fabricating usable single crystals of NBT-BT-3KNN (6 mm × 6 mm × 8 mm size) with a uniform chemical composition. The room temperature piezoelectric properties of ⟨001⟩, ⟨110⟩, and ⟨111⟩ oriented single crystals were measured. Single crystals showed strong anisotropic strain characteristics. In particular, ⟨001⟩ oriented single crystals had excellent piezoelectric properties with small hysteresis and a high strain of 0.57% at 7 kV/mm. In addition, the fabricated single crystals exhibited a high converse piezoelectric constant, Smax/Emax, of over 1000 pm/V at 4 kV/mm. These values are greater than those reported for any lead-containing and lead-free ceramics and comparable with those of lead-based single crystals. Our investigation demonstrates the solid-state conversion of lead-free single crystals and their practical usability in replacement of lead-based materials.

  9. Unconventional EGF-induced ERK1/2-mediated Kv1.3 endocytosis.

    PubMed

    Martínez-Mármol, Ramón; Comes, Núria; Styrczewska, Katarzyna; Pérez-Verdaguer, Mireia; Vicente, Rubén; Pujadas, Lluís; Soriano, Eduardo; Sorkin, Alexander; Felipe, Antonio

    2016-04-01

    The potassium channel Kv1.3 plays roles in immunity, neuronal development and sensory discrimination. Regulation of Kv1.3 by kinase signaling has been studied. In this context, EGF binds to specific receptors (EGFR) and triggers tyrosine kinase-dependent signaling, which down-regulates Kv1.3 currents. We show that Kv1.3 undergoes EGF-dependent endocytosis. This EGF-mediated mechanism is relevant because is involved in adult neural stem cell fate determination. We demonstrated that changes in Kv1.3 subcellular distribution upon EGFR activation were due to Kv1.3 clathrin-dependent endocytosis, which targets the Kv1.3 channels to the lysosomal degradative pathway. Interestingly, our results further revealed that relevant tyrosines and other interacting motifs, such as PDZ and SH3 domains, were not involved in the EGF-dependent Kv1.3 internalization. However, a new, and yet undescribed mechanism, of ERK1/2-mediated threonine phosphorylation is crucial for the EGF-mediated Kv1.3 endocytosis. Our results demonstrate that EGF triggers the down-regulation of Kv1.3 activity and its expression at the cell surface, which is important for the development and migration of adult neural progenitors.

  10. (1RS,2RS,3RS)-1,2-Dimeth­oxy-3-methyl-2-phenyl-1-(2-thien­yl)cyclo­propane

    PubMed Central

    Torre-Fernández, Laura; Suero, Marcos G.; García-Granda, Santiago

    2009-01-01

    In the title compound, C16H18O2S, a new cis-1,2-dimethoxy­cyclo­propane, the two meth­oxy groups are in a cis configuration and in trans positions with respect to the H atom and the phenyl and thienyl rings on the cyclo­propyl group. The mol­ecular packing is dominated by weak inter­molecular C—H⋯O inter­actions, allowing the formation of zigzag chains propagating parallel to the c axis. The dihedral angle between the aromatic rings is 86.12 (8)°. PMID:21582532

  11. Window type: paired 3x2 multipaned steel window flanked by 1x3 ...

    Library of Congress Historic Buildings Survey, Historic Engineering Record, Historic Landscapes Survey

    Window type: paired 3x2 multipaned steel window flanked by 1x3 multipaned steel casements, breaking building corner. Broad overhanging eave also illustrated. Second story detail. Building 13, facing east - Harbor Hills Housing Project, 26607 Western Avenue, Lomita, Los Angeles County, CA

  12. Venus - Cycle 1, 2, and 3 Images of Imdr Region

    NASA Technical Reports Server (NTRS)

    1992-01-01

    This set of three Magellan images shows a small volcano, lava plains distorted into 'wrinkle ridges', and some unusual wispy-appearing surface deposits. The images were acquired during the first, second and third mapping cycles of the mission, in March 1991, November 1991 and July 1992, respectively. The area shown is about 400 kilometers by 100 kilometers (248 by 62 miles) and is centered near 47.5 degrees south latitude, 226 degrees east longitude, in the Imdr region of Venus. The middle image, from the second cycle, was acquired with the spacecraft facing toward the west (left), while the other images were acquired with an identical east-looking geometry. The differing appearance of the second image has intrigued Magellan scientists, because of the possibility that the bright patches observed in cycle 2 may have been caused by rearrangement of loose soil material between March and November, 1991. However, by duplicating the cycle 1 viewing geometry in cycle 3, the surface change theory has been tentatively ruled out. Instead, the radar brightness variations are attributed to reflections from an undulating surface, such as sand ripples or small dunes, that have an asymmetry in the east-west direction. The deposits are apparently associated with a 78 kilometers (48 miles) diameter impact crater, Stowe, which lies about 500 kilometers (310 miles) to the northeast. The fine-grained material created during the impact event may have settled out to form the unusual surface deposits observed here. Scientists are now trying to determine if the proposed ripple structures formed at the time of the impact, or are the result of ongoing wind action at the surface. Data quality during portions of cycle 3 was adversely affected by a faulty transmitter aboard the spacecraft, leading to the missing strips in the bottom image.

  13. Synthesis and diversification of 1,2,3-triazole-fused 1,4-benzodiazepine scaffolds.

    PubMed

    Donald, James R; Martin, Stephen F

    2011-03-01

    A substituted heterocyclic scaffold comprising a 1,4-benzodiazepine fused with a 1,2,3-triazole ring has been synthesized and diversified via a variety of refunctionalizations. The strategy features the rapid assembly of the scaffold by combining 3-4 reactants in an efficient multicomponent assembly process, followed by an intramolecular Huisgen cycloaddition.

  14. Gold-catalyzed intramolecular [3+2] cycloadditions of 1-aryl-1-allene-6-enes.

    PubMed

    Chaudhuri, Rupsha; Liao, Hsin-Yi; Liu, Rai-Shung

    2009-09-01

    Treatment of 1-aryl-1-allen-6-enes with [PPh(3)AuCl]/AgSbF(6) (5 mol %) in CH(2)Cl(2) at 25 degrees C led to intramolecular [3+2] cycloadditions, giving cis-fused dihydrobenzo[a]fluorene products efficiently and selectively. The reactions proceeded with initial formation of trans/cis mixtures of 2-alkyl-1-isopropyl-2-phenyl-1,2-dihydronaphthalene cations B, which were convertible into the desired cis-fused cycloadducts through the combined action of a gold catalyst and a Brønsted acid. Theoretic calculation supports the participation of the trans-B cation as reaction intermediate. Although HOTf showed similar activity towards several 1-aryl-1-allen-6-enes, it lacks generality for this cycloaddition reaction.

  15. 1,2,3-thiadiazole thioacetanilides. Part 2: Synthesis and biological evaluation of a new series of 2-{[4-(3,4-dichlorophenyl)-1,2,3-thiadiazol-5-yl]sulfanyl}acetanilides as HIV-1 inhibitors.

    PubMed

    Zhan, Peng; Liu, Xin-Yong; Li, Zhen-Yu; Fang, Zeng-Jun; Pannecouque, Christophe; De Clercq, Erik

    2010-07-01

    As part of our studies to discover new HIV-1 reverse transcriptase inhibitors, a series of 3,4-dichlorophenyl substituted 1,2,3-thiadiazole thioacetanilide (TTA=[(1,2,3-thiadiazole-5-yl)sulfanyl]acetanilide) derivatives were synthesized, and in vitro anti-HIV activity was evaluated. The results revealed that nearly half of the compounds show moderate-to-good inhibitory potency against HIV-1. In particular, compound 7f is highly potent, with an EC(50) value of 0.95+/-0.33 microM. The preliminary structure-activity relationship among the newly synthesized congeners is discussed. PMID:20658659

  16. Resistance integrons: class 1, 2 and 3 integrons.

    PubMed

    Deng, Yang; Bao, Xuerui; Ji, Lili; Chen, Lei; Liu, Junyan; Miao, Jian; Chen, Dingqiang; Bian, Huawei; Li, Yanmei; Yu, Guangchao

    2015-10-20

    As recently indiscriminate abuse of existing antibiotics in both clinical and veterinary treatment leads to proliferation of antibiotic resistance in microbes and poses a dilemma for the future treatment of such bacterial infection, antimicrobial resistance has been considered to be one of the currently leading concerns in global public health, and reported to widely spread and extended to a large variety of microorganisms. In China, as one of the currently worst areas for antibiotics abuse, the annual prescription of antibiotics, including both clinical and veterinary treatment, has approaching 140 gram per person and been roughly estimated to be 10 times higher than that in the United Kingdom, which is considered to be a potential area for the emergence of "Super Bugs". Based on the integrons surveillance in Guangzhou, China in the past decade, this review thus aimed at summarizing the role of integrons in the perspective of both clinical setting and environment, with the focus on the occurrence and prevalence of class 1, 2 and 3 integrons.

  17. 3-hydroxy-2(1H)-pyridinone chelating agents

    DOEpatents

    Raymond, Kenneth; Xu, Jide

    1999-01-01

    Disclosed is a series of improved chelating agents and the chelates formed from these agents, which are highly effective upon both injection and oral administration. Several of the most effective are of low toxicity. These chelating agents incorporate within their structure 3-hydroxy-2-pyridinone (3,2-HOPO) moieties with a substituted carbamoyl group ortho to the hydroxy group of the hydroxypyridinone ring. The electron-withdrawing carbamoyl group increases the acidity, as well as the chemical stability towards oxidation and reduction, of the hydroxypyridinones. In the metal complexes of the chelating agents, the amide protons form very strong hydrogen bonds with the adjacent HOPO oxygen donor, making these complexes very stable at physiological conditions. The terminal N-substituents provide a certain degree of lipophilicity to the 3,2-HOPO, increasing oral activity.

  18. Phase diagram of ( 1 -x )PbMg1/3Nb2/3 O3-x P b TiO3 single crystals

    NASA Astrophysics Data System (ADS)

    Qiu, J. H.; Ding, J. N.; Yuan, N. Y.; Wang, X. Q.

    2015-02-01

    Experimental results indicated that the Rhombohedral (R) phase, Tetragonal (T) phase, Cubic (C) phase, and the Monoclinic (MC) phase are the stable phases in ferroelectric (1 -x )P b M g1 /3N b2 /3O3-x P b TiO3 single crystals. The Monoclinic MC phase, around the morphotropic phase boundary, was observed in a composition region (0.31 < x < 0.37) between the rhombohedral and tetragonal phase. However, the recent theory poses a challenge in explaining the "temperature-composition" phase diagram completely. Here, an eighth-order expansion of Landau-Dovenshire theory is constructed to investigate the phase transition properties of (1 -x )P b M g1 /3N b2 /3O3-x P b TiO3 single crystals. A full phase diagram is obtained in phenomenological parameter space which is in good accordance with experimental observation. The ferroelectric, dielectric, and piezoelectric properties are calculated in (1 -x )P b M g1 /3N b2 /3O3-x P b TiO3 single crystals with different compositions.

  19. Discovery of 2-(phenoxypyridine)-3-phenylureas as small molecule P2Y1 antagonists.

    PubMed

    Chao, Hannguang; Turdi, Huji; Herpin, Timothy F; Roberge, Jacques Y; Liu, Yalei; Schnur, Dora M; Poss, Michael A; Rehfuss, Robert; Hua, Ji; Wu, Qimin; Price, Laura A; Abell, Lynn M; Schumacher, William A; Bostwick, Jeffrey S; Steinbacher, Thomas E; Stewart, Anne B; Ogletree, Martin L; Huang, Christine S; Chang, Ming; Cacace, Angela M; Arcuri, Maredith J; Celani, Deborah; Wexler, Ruth R; Lawrence, R Michael

    2013-02-28

    Two distinct G protein-coupled purinergic receptors, P2Y1 and P2Y12, mediate ADP-driven platelet activation. The clinical effectiveness of P2Y12 blockade is well established. Recent preclinical data suggest that P2Y1 and P2Y12 inhibition provide equivalent antithrombotic efficacy, while targeting P2Y1 has the potential for reduced bleeding liability. In this account, the discovery of a 2-(phenoxypyridine)-3-phenylurea chemotype that inhibited ADP-mediated platelet aggregation in human blood samples is described. Optimization of this series led to the identification of compound 16, 1-(2-(2-tert-butylphenoxy)pyridin-3-yl)-3-4-(trifluoromethoxy)phenylurea, which demonstrated a 68 ± 7% thrombus weight reduction in an established rat arterial thrombosis model (10 mg/kg plus 10 mg/kg/h) while only prolonging cuticle and mesenteric bleeding times by 3.3- and 3.1-fold, respectively, in provoked rat bleeding time models. These results suggest that a P2Y1 antagonist could potentially provide a safe and efficacious antithrombotic profile. PMID:23368907

  20. In vitro and in vivo antiherpetic effects of (1R,2R)-1-(5'-methylful-3'-yl)propane-1,2,3-triol.

    PubMed

    Sasaki, Kohei; Hayashi, Kyoko; Matsuya, Yuji; Sugimoto, Kenji; Lee, Jung-Bum; Kurosaki, Fumiya; Hayashi, Toshimitsu

    2016-04-01

    In this study, we demonstrated the in vitro and in vivo antiherpetic activities of a stable furan derivative, (1R,2R)-1-(5'-methylful-3'-yl)propane-1,2,3-triol (MFPT), which had originally been isolated from Streptomyces sp. strain FV60. In the present study, we synthesized MFPT from (5-methylfuran-3-yl)methanol in 6 steps for use in the experiments. MFPT showed potent in vitro antiviral activities against two acyclovir (ACV)-sensitive (KOS and HF) strains and an ACV-resistant (A4-3) strain of herpes simplex virus type 1 (HSV-1) and an ACV-sensitive HSV type 2 (HSV-2) UW 268 strain, their selectivity indices ranging from 310 to 530. By intravaginal application of MFPT to mice, the virus yields decreased dose-dependently against the three strains of HSV-1 and HSV-2. When MFPT was applied at a dose of 1.0 mg/day, the lesion scores, as clinical signs manifested by viral infection, were extensively suppressed in HSV-1-infected mice, whereas the lesion scores in HSV-2-infected mice were not markedly decreased. Interestingly, MFPT exerted an inhibitory effect against ACV-resistant HSV-1 in mice to a similar degree as in ACV-sensitive HSV-1-infected mice. Therefore, the compound might have potential for developing a topical antiviral agent that could be also applied to the infections caused by ACV-resistant viruses. PMID:26763002

  1. In vitro and in vivo antiherpetic effects of (1R,2R)-1-(5'-methylful-3'-yl)propane-1,2,3-triol.

    PubMed

    Sasaki, Kohei; Hayashi, Kyoko; Matsuya, Yuji; Sugimoto, Kenji; Lee, Jung-Bum; Kurosaki, Fumiya; Hayashi, Toshimitsu

    2016-04-01

    In this study, we demonstrated the in vitro and in vivo antiherpetic activities of a stable furan derivative, (1R,2R)-1-(5'-methylful-3'-yl)propane-1,2,3-triol (MFPT), which had originally been isolated from Streptomyces sp. strain FV60. In the present study, we synthesized MFPT from (5-methylfuran-3-yl)methanol in 6 steps for use in the experiments. MFPT showed potent in vitro antiviral activities against two acyclovir (ACV)-sensitive (KOS and HF) strains and an ACV-resistant (A4-3) strain of herpes simplex virus type 1 (HSV-1) and an ACV-sensitive HSV type 2 (HSV-2) UW 268 strain, their selectivity indices ranging from 310 to 530. By intravaginal application of MFPT to mice, the virus yields decreased dose-dependently against the three strains of HSV-1 and HSV-2. When MFPT was applied at a dose of 1.0 mg/day, the lesion scores, as clinical signs manifested by viral infection, were extensively suppressed in HSV-1-infected mice, whereas the lesion scores in HSV-2-infected mice were not markedly decreased. Interestingly, MFPT exerted an inhibitory effect against ACV-resistant HSV-1 in mice to a similar degree as in ACV-sensitive HSV-1-infected mice. Therefore, the compound might have potential for developing a topical antiviral agent that could be also applied to the infections caused by ACV-resistant viruses.

  2. Raman scattering study on relaxor ferroelectric Pb(In1/2Nb1/2)-Pb(Mg1/3Nb2/3)O3-PbTiO3 single crystals

    NASA Astrophysics Data System (ADS)

    Kim, Tae Hyun; Kojima, Seiji; Ko, Jae-Hyeon

    2014-10-01

    The vibrational property of relaxor ferroelectric Pb(In1/2Nb1/2)-Pb(Mg1/3Nb2/3)O3-PbTiO3 (PIN-PMN-PT) single crystals was investigated by using Raman scattering. The angular dependences of two Raman bands, one located at ˜50 cm-1 and the other at ˜560 cm-1, were investigated in the paraelectric phase where no Raman bands are allowed in the average symmetry. The angular variation of the Raman intensity of the strong low-frequency mode at ˜50 cm-1 was compatible with the F 2 g mode of symmetry, indicating that this mode could be attributed to the 1:1 chemical order at the B-site in PIN-PMN-PT. The high-frequency Raman mode at ˜560 cm-1 exhibited an intensity modulation consistent with the rhombohedral R3 m symmetry, suggesting that this mode was related to polar nanoregions. The intensity ratio of the depolarized to the polarized component of this high-frequency mode showed an abrupt change when PIN-PMN-PT underwent a structural phase transition into the rhombohedral phase.

  3. Synthesis, structure, optical properties, antifungal and antibacterial activities of 2-(1-oxo-1H-2,3-dihydroisoindol-2-yl)-3-imidazolyl-L-lactamic acid

    NASA Astrophysics Data System (ADS)

    Jia, Ting; Zhang, Wei-Long; Chen, Yun; Cai, Shuang-Lian; Yi, Hai-Bo

    2013-10-01

    2-(1-oxo-1H-2,3-dihydroisoindol-2-yl)-3-imidazolyl-L-lactamic acid has been prepared conveniently by the condensation reaction of o-phthalaldehyde (OPA) with L-Histidine, and its single crystal structure has been characterized by X-ray crystallography method. The in vitro antifungal and antibacterial activities of the compound were investigated with the representative strains of Candida albicans, Staphylococcus aureus, Escherichia coli and Pseudomonas aeruginosa. Its luminescent and nonlinear optical properties have also been investigated. Second-harmonic-generation (SHG) measurements indicate that compound 1 displays a weak SHG response of about 0.75 times that of KH2PO4.

  4. Fast and highly selective determination of cyanide with 2,2-dihydroxy-1,3-indanedione.

    PubMed

    Drochioiu, G

    2002-04-01

    A very simple, accurate, fast, selective and sensitive assay of cyanide based on its reaction with 2,2-dihydroxy-l,3-indanedione at basic pH is proposed. As little as 0.01 mug ml(-1) of cyanide can be determined. The molar absorptivity may reach 5.1-8.0x10(4) l mol(-1) cm(-1) depending on the reaction conditions. Thus, 1 ml of sample solution is mixed with 500 mul of 5 mg ml(-1) solution of 2,2-dihydroxy-1,3-indanedione monohydrate in 2% sodium carbonate. The absorbance of the purple color is measured at 510 nm in 1-cm glass cuvettes, 10-15 min after mixing the reagents. The procedure could also be used to identify free CN(-) in natural waters and hydrocyanic acid in the environment. PMID:18968597

  5. 5-(3,4-Dimethyl-benzyl-idene)-2,2-dimethyl-1,3-dioxane-4,6-dione.

    PubMed

    Zeng, Wu-Lan

    2011-06-01

    The title compound, C(15)H(16)O(4), was prepared by the reaction of 2,2-dimethyl-1,3-dioxane-4,6-dione and 3,4-dimethyl-benzaldehyde in ethanol. The 1,3-dioxane ring exhibits an envelope conformation. In the crystal, mol-ecules are linked by weak inter-molecular C-H⋯O hydrogen bonds, forming chains parallel to the b axis. PMID:21754745

  6. Non-Linear Refractive Index Measurement of (2E)-3-[4-(DIMETHYLAMINO)PHENYL]-1-(2,5-DIMETHYLTHIOPHEN-3-YL)PROP-2-EN-1-ONE and (2E)-3-(3,4-DIMETHOXYPHENYL)-1-(2,5-DIMETHYLTHIOPHEN-3-YL)PROP-2-EN-1-ONE

    NASA Astrophysics Data System (ADS)

    Henari, Fryad Z.; Asiri, Abdullah M.

    We report results from investigations of the nonlinear refractive index and nonlinear absorption coefficient of (2E)-3-[4-(Dimethylamino)phenyl]-1-(2,5-dimethylthiophen-3-yl)prop-2-en-1-one and (2E)-3-(3,4-Dimethoxyphenyl)-1-(2,5-dimethylthiophen-3-yl) prop-2-en-1-one using Z-scan technique with a continuous wave (cw) laser at wavelengths 488 nm and 514 nm. The nonlinear refractive index and nonlinear absorption coefficient of both samples were evaluated. The origin of the nonlinear effects was discussed. Optical limiting based on light induced nonlinear refractive index variation is demonstrated. The limiting thresholds were estimated for both samples. The results suggested that these materials offer promise as candidates for optical limiting and optical devices in the low power regime.

  7. Genetic and antigenic characterization of H5N1 viruses of clade 2.3.2.1 isolated in India.

    PubMed

    Bhat, Sushant; Bhatia, Sandeep; Pillai, Aravind S; Sood, Richa; Singh, Vikas Kumar; Shrivas, Om Prakash; Mishra, Suchitra K; Mawale, Namrata

    2015-11-01

    The recurrent circulation of highly pathogenic avian influenza (HPAI) H5N1 in Indian poultry since 2006 resulted in emergence of the viruses of distinct antigenic clades of haemagglutinin (HA) with the majority of the H5N1 outbreaks since 2011 belonging to clade 2.3.2.1. The present study was aimed to characterize the antigenic profile of a collection of H5N1 HPAI viruses of clade 2.3.2.1 isolated in India by applying antigenic cartography, serological data and phylogenetic analysis. Eleven H5N1 viruses (2 of clade 2.2 and 9 of clade 2.3.2.1) were selected based on genetic analysis and were further characterized by antigenic cartography analysis based on cross HI (hemagglutination inhibition) data. This study highlights the intercladal antigenic differences between clades 2.3.2.1 and 2.2 and the intracladal antigenic divergence among the clade 2.3.2.1 viruses. Five viruses of clade 2.3.2.1 were also studied for analysis of glycosylation pattern of Hemagglutinin (HA) gene and the growth kinetics analysis in MDCK cells in which the viruses CL03485/H5N1 and 03CL488/H5N1 showed better replication kinetics than other viruses. The study presents a baseline data of antigenicity and other factors that can be used in the selection of suitable H5 vaccine strains or HA donor viruses to develop H5 vaccine strains by reverse genetics or other methods for control of currently circulating H5N1 viruses in Indian region.

  8. Identification of high-risk Listeria monocytogenes serotypes in lineage I (serotype 1/2a, 1/2c, 3a and 3c) using multiplex PCR

    Technology Transfer Automated Retrieval System (TEKTRAN)

    Aims: Using molecular subtyping techniques, Listeria monocytogenes is divided into three major phylogenetic lineages, and a multiplex PCR method can differentiate five L. monocytogenes subgroups: 1/2a-3a, 1/2c-3c, 1/2b-3b-7, 4b-4d-4e, and 4a-4c. In the current study, we conducted genome comparison...

  9. N-(2,3-Dimethyl-phen-yl)-4-hydr-oxy-2-methyl-2H-1,2-benzothia-zine-3-carboxamide 1,1-dioxide.

    PubMed

    Siddiqui, Waseeq Ahmad; Bukahari, Iftikhar Hussain; Zia-Ur-Rehman, Muhammad; Khan, Islam Ullah; Tizzard, Graham John

    2009-02-28

    In the crystal structure of the title compound, C(18)H(18)N(2)O(4)S, the thia-zine ring adopts a distorted half-chair conformation. 1,2-Benzothia-zines of this kind have a wide range of biological activities and are mainly used as medicines in the treatment of inflammation and rheumatoid arthritis. The enolic H atom is involved in an intra-molecular O-H⋯O hydrogen bond, forming a six-membered ring. The mol-ecules arrange themselves into centrosymmetric dimers by means of inter-molecular N-H⋯O hydrogen bonds. A weak inter-molcular C-H⋯O inter-action is also present.

  10. 40 CFR 721.10467 - 2-Propenoic acid, 3-hydroxytricyclo[3.3.1.13,7]dec-1-yl ester.

    Code of Federal Regulations, 2014 CFR

    2014-07-01

    ... (CONTINUED) TOXIC SUBSTANCES CONTROL ACT SIGNIFICANT NEW USES OF CHEMICAL SUBSTANCES Significant New Uses for...)(i), (a)(2)(iii), (a)(3), (a)(4) (National Institute for Occupational Safety and Health...

  11. 6,7-Dimethoxy-2-{2-[4-(1H-1,2,3-triazol-1-yl)phenyl]ethyl}-1,2,3,4-tetrahydroisoquinolines as superior reversal agents for P-glycoprotein-mediated multidrug resistance.

    PubMed

    Liu, Baomin; Qiu, Qianqian; Zhao, Tianxiao; Jiao, Lei; Li, Yunman; Huang, Wenlong; Qian, Hai

    2015-02-01

    P-glycoprotein (P-gp)-mediated multidrug resistance (MDR) is a major obstacle for successful cancer chemotherapy. Based on our previous study, 17 novel compounds with the 6,7-dimethoxy-2-{2-[4-(1H-1,2,3-triazol-1-yl)phenyl]ethyl}-1,2,3,4-tetrahydroisoquinoline scaffold were designed and synthesized. Among them, 2-[(1-{4-[2-(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)ethyl]phenyl}-1H-1,2,3-triazol-4-yl)methoxy]-N-(p-tolyl)benzamide (compound 7 h) was identified as a potent modulator of P-gp-mediated MDR, with high potency (EC50 =127.5 ± 9.1 nM), low cytotoxicity (TI>784.3), and long duration (>24 h) in reversing doxorubicin (DOX) resistance in K562/A02 cells. Compound 7 h also enhanced the effects of other MDR-related cytotoxic agents (paclitaxel, vinblastine, and daunorubicin), increased the accumulation of DOX and blocked P-gp-mediated rhodamine 123 efflux function in K562/A02 MDR cells. Moreover, 7 h did not have any effect on cytochrome (CYP3A4) activity. These results indicate that 7 h is a relatively safe modulator of P-gp-mediated MDR that has good potential for further development.

  12. 3-Monochloro-1,2-propandiol (3-MCPD) in soy sauce from the Bulgarian market.

    PubMed

    Christova-Bagdassarian, Valentina; Tishkova, Julieta A; Vrabcheva, Terry M

    2013-01-01

    The 3-monochloro-1,2-propandiol (3-MCPD) levels in soy sauces which contained hydrolysed vegetable protein were evaluated for the Bulgarian market. For analysis of 3-MCPD, a gas chromatography-mass spectrometry (GC-MS) method was applied with a linear range of 0.03-2.00 μg mL⁻¹ and a limit of detection (LOD) of 2.3 μg kg⁻¹ and a limit of quantification (LOQ) of 3.4 μg kg⁻¹. At these levels, the standard deviation was 5.1%, with recoveries between 81% and 102%. The method was applied to the analysis of 21 samples of soy sauce from the Bulgarian market. Results ranged from 3.7 to 185.6 μg kg⁻¹. Soy sauces produced from hydrolysed soy protein contained higher levels of 3-MCPD than naturally fermented sauces. In 38.4% of samples of Bulgarian origin, the 3-MCPD content was above the EU limit of 20 μg kg⁻¹. In all analysed samples, 33.3% had a 3-MCPD content above the EU limit.

  13. Monocyte chemotactic protein-1 (MCP-1), -2, and -3 are chemotactic for human T lymphocytes.

    PubMed Central

    Taub, D D; Proost, P; Murphy, W J; Anver, M; Longo, D L; van Damme, J; Oppenheim, J J

    1995-01-01

    Monocyte chemotactic protein (MCP)-1, -2, and -3 all have been shown to induce monocyte/macrophage migration in vitro and MCP-1, also known as MCAF, chemoattracts basophils and mast cells. We report here that natural MCP-1 as well as synthetic preparations of MCP-2 and MCP-3 stimulate significant in vitro chemotaxis of human peripheral blood T lymphocytes. This MCP-induced migration was dose-dependent and directional, but not chemokinetic. Phenotypic analysis of the T cell population responsive to MCP-1, MCP-2, and MCP-3 demonstrates that both CD4+ and CD8+ T cells migrated in response to these chemokines. Similar results were observed using human CD4+ and CD8+ T cell clones. Neutralizing antisera to MCAF or MCP-2 abrogated T cell migration in response to MCP-1 and MCP-2, respectively, but not to RANTES. Subcutaneous administration of purified MCP-1 into the hind flanks of SCID mice engrafted with human peripheral blood lymphocytes (PBL) induced significant human CD3+ T cell infiltration into the site of injection at 4 h. These results demonstrate that MCP-1, MCP-2, and MCP-3 are inflammatory mediators that specifically stimulate the directional migration of T cells as well as monocytes and may play an important role in immune cell recruitment into sites of antigenic challenge. Images PMID:7883984

  14. (E)-4-(1,3-Benzodioxol-5-yl)but-3-en-2-one

    PubMed Central

    Sarveswari, S.; Vijayakumar, V.; Mathew, Priya Susan; Mendoza-Meroño, Rafael; García-Granda, Santiago

    2011-01-01

    In the title compound, C11H10O3, the benzodioxole ring adopts a flattened [puckering parameters: q 2 = 0.107 (2) Å, ϕ2 = 160 (1)°] envelope conformation with the methylene C atom as the flap. The crystal packing features chains, parallel to the c axis, composed of dimers connected by weak C—H–O hydrogen bonds and extending in layers in the bc plane. PMID:21522344

  15. Synthesis and cytotoxicity studies of 1-propenyl-1,3-dihydro-benzimidazol-2-one.

    PubMed

    Banerji, Biswadip; Pramanik, Sumit Kumar

    2015-07-01

    A heterocyclic compound 1-propenyl-1,3-dihydro-benzimidazol-2-one was synthesized by a palladium-catalyzed rearrangement reaction. Anticancer activities were confirmed by 3-(4,5-dimethylthiazol-2-yl)-2,5-diphenyltetrazolium bromide (MTT) assay against Neura 2a (neuroblastoma cell), HEK 293 (kidney cancer) and MCF-7 (breast cancer) cell lines at low micromolar range. Furthermore, clear images from phase-contrast and fluorescence microscopes and confocal images unambiguously confirm the cancer cell death. The single X-ray crystal structure of the compound unambiguously proves the structure of the benzimidazolone compound.

  16. Diffusion of cis-3-methyl-2-pent-2-enyl-cyclopent-2-enone (1); carbon dioxide (2)

    NASA Astrophysics Data System (ADS)

    Winkelmann, J.

    This document is part of Subvolume A `Gases in Gases, Liquids and their Mixtures' of Volume 15 `Diffusion in Gases, Liquids and Electrolytes' of Landolt-Börnstein Group IV `Physical Chemistry'. It is part of the chapter of the chapter `Diffusion in Pure Gases' and contains data on diffusion of (1) cis-3-methyl-2-pent-2-enyl-cyclopent-2-enone; (2) carbon dioxide

  17. Rh(I)-catalyzed intramolecular [3 + 2] cycloaddition reactions of 1-ene-, 1-yne- and 1-allene-vinylcyclopropanes.

    PubMed

    Jiao, Lei; Lin, Mu; Yu, Zhi-Xiang

    2010-02-21

    New Rh(I)-catalyzed intramolecular [3 + 2] cycloaddition reactions of 1-ene-, 1-yne and 1-allene-vinylcyclopropanes have been developed, affording an efficient and versatile synthesis of cyclopentane- and cyclopentene-embedded bicyclic structures.

  18. Bis­(3,5-diamino-4H-1,2,4-triazol-1-ium) 3,4-dioxocyclo­butane-1,2-diolate

    PubMed Central

    Fun, Hoong-Kun; Loh, Wan-Sin; Johnson, Atim; Yousuf, Sammer; Eno, Ededet

    2013-01-01

    The asymmetric unit of the title compound, 2C2H6N5 +·C4O4 2−, contains two 3,5-diamino-4H-1,2,4-triazolium cations and one squarate dianion. The squaric acid mol­ecule donated one H atom to each of the two 3,5-diamino-1,2,4-triazole mol­ecules at their N atoms. The squaric acid dianion has four C—O bonds which are shorter than a normal single C—O bond (1.426 Å) and are slightly longer than a normal C=O bond (1.23 Å), which indicates the degree of electron delocalization in the dianion. In the crystal, the cations and dianions are linked by N—H⋯N and N—H⋯O hydrogen bonds into a three-dimensional network. PMID:23476545

  19. Deexcitation of helium 2 3S, 2 1S, and 2 3P atoms at Ar and Xe films

    NASA Astrophysics Data System (ADS)

    Oró, D. M.; Soletsky, P. A.; Zhang, X.; Dunning, F. B.; Walters, G. K.

    1994-06-01

    Measurements of ejected electron energy distributions are used in conjunction with electron spin labeling techniques to probe the mechanisms by which He(2 3S), He(2 1S), and He(2 3P) atoms are deexcited at Ar and Xe films adsorbed on a cooled Cu(100) substrate. The data for both surfaces contain features similar to those observed in gas-phase Penning ionization, indicating that ejection results, in part, from Auger deexcitation, i.e., surface Penning ionization. For Xe, however, additional features are observed that can be attributed to resonance ionization of an incident excited atom followed by neutralization of the resulting He+ ion through an interaction that involves neighboring Xe atoms in the film. Indeed, the Xe data provide an exceptional example of a surface at which Auger deexcitation and resonance ionization occur in parallel with one another, with a branching ratio that changes significantly as the internal energy of the incident atoms increases. The ejected electron yield from both Ar and Xe films is substantially higher than for clean Cu(100), indicating that such films might form the basis of an efficient thermal-energy helium metastable-atom detector.

  20. Vapor-liquid equilibria for hydrogen fluoride + difluoromethane, + 1,1,1,2-tetrafluoroethane, and + 1-chloro-1,2,2,2-tetrafluoromethane at 283.3 and 298.2 K

    SciTech Connect

    Lee, J.; Kim, H.; Lim, J.S.; Kim, J.D.; Lee, Y.Y.

    1996-01-01

    The production of refrigerants involves the separation of multicomponent mixtures containing hydrogen fluoride, hydrogen chloride, and various chlorinated and fluorinated hydrocarbons. Therefore, it is essential to known the phase behavior of these mixtures. Isothermal vapor-liquid equilibria for hydrogen fluoride (HF) + difluoromethane (HFC-32), HF + 1,1,1,2-tetrafluoroethane (HFC-134a), and HF + 1-chloro-1,2,2,2-tetrafluoroethane (HCFC-124) were measured by the P-T-x method at 283.3 and 298.2 K. Vapor compositions were calculated from these results. Among these systems, the HF + HFC-134a and HF + HCFC-124 systems exhibit minimum boiling azeotropes at both temperatures.

  1. Synthesis, experimental and theoretical study of the spectroscopic properties in (2E)-3-{3-methoxy-4-[(3-methylbut-2-en-1-yl)oxy]phenyl}-1-(3,4,5-trimethoxyphenyl)prop-2-en-1-one

    NASA Astrophysics Data System (ADS)

    Espinoza-Hicks, J. C.; Rodríguez-Valdez, L. M.; Nevárez-Moorillón, G. V.; Camacho-Dávila, A.

    2012-08-01

    We reported the synthesis of (2E)-3-{3-methoxy-4-[(3-methylbut-2-en-1-yl)oxy]phenyl}-1-(3,4,5-trimethoxyphenyl)prop-2-en-1-one. The molecular structure and spectroscopic properties of this compound were calculated using the density functional theory (DFT) method with the B3LYP hybrid functional in combination with Pople type 6-311++G(d,p) basis set. The geometry analysis shows that the calculated bond angles and bond distances have a satisfactory relation compared with experimental values. The NMR studies were realized using the GIAO Method, a satisfactory linear correlation was observed for 1H with r = 0.993 and 13C with r = 0.988, finding the highest value for 1H NMR spectrum. The analysis of IR spectra shows a good correlation with the theoretical spectrum. The results show that the DFT-B3LYP/6-311++G(d,p) can describe with a good correlation the spectroscopic properties of the chalcone analyzed.

  2. Synthesis and X-ray Characterization of Alkali Metal 2-Acyl-1,1,3,3-tetracyanopropenides.

    PubMed

    Karpov, Sergey V; Grigor'ev, Arthur A; Kayukov, Yakov S; Karpova, Irina V; Nasakin, Oleg E; Tafeenko, Victor A

    2016-08-01

    A novel route for synthesis of 2-acyl-1,1,3,3-tetracyanopropenides (ATCN) salts in high yields and excellent purities starting from readily available methyl ketones, malononitrile, bromine, and alkali metal acetates is reported. The starting aryl(heteroaryl) methyl ketones were oxidized to the corresponding α-ketoaldehydes by new a DMSO-NaBr-H2SO4 oxidation system in yields up to 90% within a short reaction time of 8-10 min. The subsequent stages of ATCN preparation are realized in aqueous media without use of any toxic solvents, in accordance with principle 5 of "green chemistry". Lithium, sodium, potassium, rubidium, and cesium 2-benzoyl-1,1,3,3-tetracyanopropenides were characterized by X-ray diffraction analysis. These salts show a good potential for synthesis of five- and six-membered heterocycles and may serve as potentially useful ligands in coordination and supramolecular chemistry. PMID:27384963

  3. Broadband 1.5- μm emission of high erbium-doped Bi 2O 3-B 2O 3-Ga 2O 3 glasses

    NASA Astrophysics Data System (ADS)

    Fan, Huiyan; Wang, Guonian; Li, Kefeng; Hu, Lili

    2010-07-01

    High Erbium-doped glass showing the wider 1.5-μm emission band is reported in the Bi 2O 3-B 2O 3-Ga 2O 3 system and its thermal stability and optical properties such as absorption, emission spectra, absorption and stimulated emission cross-sections and fluorescence lifetime are investigated. Compared with other glass hosts, the gain bandwidth properties of high Er 3+ content in BBG glass are better than those of tellurite, germanate, silicate and phosphate glasses. The broad and flat 4I 13/2→ 4I 15/2 emission and the larger stimulated emission cross-section of Er 3+ ions around 1.5 μm enable it to be used as a host material for potential broadband optical amplifiers at C and L bands in the microchip configuration.

  4. 40 CFR 721.9790 - Benzenesulfonic acid, 2,2′-(1,2-ethenediyl)bis[5-[[4-[bis(2-hydroxypropyl) amino]- 6-[(3...

    Code of Federal Regulations, 2011 CFR

    2011-07-01

    ...); Benzenesulfonic acid, 5- -6- -1,3,5-triazin-2-yl]amino]-2- -6- -1,3,5-triazin-2-yl]amino]-2-sulfophenyl]ethenyl...); Benzenesulfonic acid, 5- -6- -1,3,5-triazin-2-yl]amino]-2- -6- -1,3,5-triazin-2-yl]amino]-2-sulfophenyl]ethenyl...); Benzenesulfonic acid, 5- -6- -1,3,5-triazin-2-yl]amino]-2- -6-......

  5. 40 CFR 721.9790 - Benzenesulfonic acid, 2,2′-(1,2-ethenediyl)bis[5-[[4-[bis(2-hydroxypropyl) amino]- 6-[(3...

    Code of Federal Regulations, 2014 CFR

    2014-07-01

    ...); Benzenesulfonic acid, 5- -6- -1,3,5-triazin-2-yl]amino]-2- -6- -1,3,5-triazin-2-yl]amino]-2-sulfophenyl]ethenyl...); Benzenesulfonic acid, 5- -6- -1,3,5-triazin-2-yl]amino]-2- -6- -1,3,5-triazin-2-yl]amino]-2-sulfophenyl]ethenyl...); Benzenesulfonic acid, 5- -6- -1,3,5-triazin-2-yl]amino]-2- -6-......

  6. 40 CFR 721.9790 - Benzenesulfonic acid, 2,2′-(1,2-ethenediyl)bis[5-[[4-[bis(2-hydroxypropyl) amino]- 6-[(3...

    Code of Federal Regulations, 2010 CFR

    2010-07-01

    ...); Benzenesulfonic acid, 5- -6- -1,3,5-triazin-2-yl]amino]-2- -6- -1,3,5-triazin-2-yl]amino]-2-sulfophenyl]ethenyl...); Benzenesulfonic acid, 5- -6- -1,3,5-triazin-2-yl]amino]-2- -6- -1,3,5-triazin-2-yl]amino]-2-sulfophenyl]ethenyl...); Benzenesulfonic acid, 5- -6- -1,3,5-triazin-2-yl]amino]-2- -6-......

  7. 40 CFR 721.9790 - Benzenesulfonic acid, 2,2′-(1,2-ethenediyl)bis[5-[[4-[bis(2-hydroxypropyl) amino]- 6-[(3...

    Code of Federal Regulations, 2012 CFR

    2012-07-01

    ...); Benzenesulfonic acid, 5- -6- -1,3,5-triazin-2-yl]amino]-2- -6- -1,3,5-triazin-2-yl]amino]-2-sulfophenyl]ethenyl...); Benzenesulfonic acid, 5- -6- -1,3,5-triazin-2-yl]amino]-2- -6- -1,3,5-triazin-2-yl]amino]-2-sulfophenyl]ethenyl...); Benzenesulfonic acid, 5- -6- -1,3,5-triazin-2-yl]amino]-2- -6-......

  8. 40 CFR 721.9790 - Benzenesulfonic acid, 2,2′-(1,2-ethenediyl)bis[5-[[4-[bis(2-hydroxypropyl) amino]- 6-[(3...

    Code of Federal Regulations, 2013 CFR

    2013-07-01

    ...); Benzenesulfonic acid, 5- -6- -1,3,5-triazin-2-yl]amino]-2- -6- -1,3,5-triazin-2-yl]amino]-2-sulfophenyl]ethenyl...); Benzenesulfonic acid, 5- -6- -1,3,5-triazin-2-yl]amino]-2- -6- -1,3,5-triazin-2-yl]amino]-2-sulfophenyl]ethenyl...); Benzenesulfonic acid, 5- -6- -1,3,5-triazin-2-yl]amino]-2- -6-......

  9. T Helper 1 (Th1), Th2, and Th17 Responses to Leishmania major Lipophosphoglycan 3.

    PubMed

    Miahipour, Abolfazl; Haji-Fatahaliha, Mostafa; Keshavarz, Hossein; Gharavi, Mohammad Javad; Mohamadi, Hamed; Babaloo, Zohre; Rafati, Sima; Younesi, Vahid; Hosseini, Maryam; Yousefi, Mehdi

    2016-10-01

    Leishmania major is the main causal agent of cutaneous leishmaniasis (CL) that remains a serious public health concern in many tropical and subtropical countries. A long-lasting protective vaccine against leishmaniasis remains as a medical unmet need. Lipophosphoglycan 3 (LPG3) is one of the class II LPG genes from HSP90 family involved in the host immune responses. The aim of the present study is to investigate the capability of recombinant LPG3 (rLPG3) to induce Th1, Th2, Th17 responses. The results showed that rLPG3 in moderate and high concentrations significantly induced expression of Th1 lineage-specific transcription factor (T-bet) and cytokine (IFN-γ)(P < 0.05). Moreover, the Th1-stimulating effect of rLPG3 was confirmed by significant induction of IFN-γ secretion from treated T cells (P < 0.01). However, no significant effect of rLPG3 on Th2 and Th17 lineage cells was observed even in high concentration. Our findings demonstrate that rLPG3 induces Th1, but not Th2 and Th17, lineage responses. Further studies are needed to investigate adjuvant properties of rLPG3 for leishmania therapy. PMID:27611455

  10. 75 FR 16670 - 1-Propene, 2,3,3,3-tetrafluoro-; Withdrawal of Significant New Use Rule

    Federal Register 2010, 2011, 2012, 2013, 2014

    2010-04-02

    ... Control Act (TSCA) for the chemical substance identified as 1-Propene, 2,3,3,3- tetrafluoro- (CAS No. 754..., Chemical Control Division (7405M), Office of Pollution Prevention and Toxics, Environmental Protection... 27, 1989 (54 FR 31314). The record for the direct final ] SNUR for the chemical substance...

  11. O2(a1Δ) Quenching In The O/O2/O3 System

    NASA Astrophysics Data System (ADS)

    Azyazov, V. N.; Mikheyev, P. A.; Postell, D.; Heaven, M. C.

    2010-10-01

    The development of discharge singlet oxygen generators (DSOG's) that can operate at high pressures is required for the power scaling of the discharge oxygen iodine laser. In order to achieve efficient high-pressure DSOG operation it is important to understand the mechanisms by which singlet oxygen (O2(a1Δ)) is quenched in these devices. It has been proposed that three-body deactivation processes of the type O2(a1Δ)+O+M→2O2+M provide significant energy loss channels. To further explore these reactions the physical and reactive quenching of O2(a1Δ) in O(3P)/O2/O3/CO2/He/Ar mixtures has been investigated. Oxygen atoms and singlet oxygen molecules were produced by the 248 nm laser photolysis of ozone. The kinetics of O2(a1Δ) quenching were followed by observing the 1268 nm fluorescence of the O2a1Δ-X3∑ transition. Fast quenching of O2(a1Δ) in the presence of oxygen atoms and molecules was observed. The mechanism of the process has been examined using kinetic models, which indicate that quenching by vibrationally excited ozone is the dominant reaction.

  12. Polarization degrees of 3p 2P3/2-3s 2S1/2 transition in O5+(1s 23p) produced in collisions of O6+ with He and H2

    NASA Astrophysics Data System (ADS)

    Zhao, Y. Q.; Liu, L.; Xue, P.; Wang, J. G.; Janev, R. K.

    2010-09-01

    Electron capture processes in collisions of O6+ with ground state He and H2 are investigated using the two-centre atomic orbital close-coupling method. Total and state-selective one-electron capture cross sections are obtained for collision energies between 0.5 and 300 keV/u. The comparison with the available experimental state-selective capture data in the overlapping energy range (0.5-100 keV/u for O6++He and 0.5-8 keV/u for O6++H2) shows a good overall agreement. The polarization degrees of 3p 2P3/2-3s 2S1/2 radiation from O5+(3p 2P3/2) produced in O6++He and O6++H2 collisions are calculated from the magnetic substate-selective cross sections with inclusion of cascade contributions from higher n = 4 and n = 5 states. Good agreement is obtained with the experimental data available in the energy range 3-8 keV/u. Below ~10 keV/u, the polarization degrees of O5+(3p 2P3/2) in both collision systems exhibit an oscillatory structure and above this energy they steadily increase with the increase of collision energy, reaching the values of about 0.37 at 300 keV/u. The energy behaviour of the polarization degree of O5+(3p 2P3/2) in the O6++He collision system is determined almost exclusively by the direct electron capture to 3p0 and 3p1 states of O5+, while in the case of the O6++H2 collision system in the energy region below ~40 keV/u it is strongly affected by the cascade contributions from the 4l states, which are the dominant capture states in this system.

  13. Stn1-Ten1 is an Rpa2-Rpa3-like complex at telomeres

    SciTech Connect

    Sun, Jia; Yu, Eun Young; Yang, Yuting; Confer, Laura A; Sun, Steven H; Wan, Ke; Lue, Neal F; Lei, Ming

    2010-09-02

    In budding yeast, Cdc13, Stn1, and Ten1 form a heterotrimeric complex (CST) that is essential for telomere protection and maintenance. Previous bioinformatics analysis revealed a putative oligonucleotide/oligosaccharide-binding (OB) fold at the N terminus of Stn1 (Stn1N) that shows limited sequence similarity to the OB fold of Rpa2, a subunit of the eukaryotic ssDNA-binding protein complex replication protein A (RPA). Here we present functional and structural analyses of Stn1 and Ten1 from multiple budding and fission yeast. The crystal structure of the Candida tropicalis Stn1N complexed with Ten1 demonstrates an Rpa2N-Rpa3-like complex. In both structures, the OB folds of the two components pack against each other through interactions between two C-terminal helices. The structure of the C-terminal domain of Saccharomyces cerevisiae Stn1 (Stn1C) was found to comprise two related winged helix-turn-helix (WH) motifs, one of which is most similar to the WH motif at the C terminus of Rpa2, again supporting the notion that Stn1 resembles Rpa2. The crystal structure of the fission yeast Schizosaccharomyces pombe Stn1N-Ten1 complex exhibits a virtually identical architecture as the C. tropicalis Stn1N-Ten1. Functional analyses of the Candida albicans Stn1 and Ten1 proteins revealed critical roles for these proteins in suppressing aberrant telomerase and recombination activities at telomeres. Mutations that disrupt the Stn1-Ten1 interaction induce telomere uncapping and abolish the telomere localization of Ten1. Collectively, our structural and functional studies illustrate that, instead of being confined to budding yeast telomeres, the CST complex may represent an evolutionarily conserved RPA-like telomeric complex at the 3' overhangs that works in parallel with or instead of the well-characterized POT1-TPP1/TEBP{alpha}-{beta} complex.

  14. Synthesis and crystal structure of α,β-unsaturated ketone: 3,3′-[1,2-ethanediylbis(oxy-2,1-phenylene)]bis[1-(2-pyridyl) -2-propen-1-one

    SciTech Connect

    Wang, G.-F. Gong, Q.-J. Sun, H.; Yao, C-Z.

    2013-12-15

    The title compound, C{sub 30}H{sub 24}N{sub 2}O{sub 4}, 3,3′-[1,2-ethanediyl-bis(oxy-2,1-phenylene)]bis[1-(2-pyridyl) -2-propen-1-one] was synthesized and characterized by elemental analysis, FT-IR spectra, {sup 1}H NMR, and X-ray single-crystal diffraction. In the molecule, the pyridine plane and the adjacent phenyl plane are almost coplanar with the dihedral angle of 3.07°, while the dihedral angle between the mean planes of the two asymmetric units is 67.56°. The crystal packing is stabilized by weak intermolecular C-H...N and C-H...O hydrogen bonds, C-H...π and π...π stacking interactions.

  15. Effective spin-1/2 scalar chiral order on kagome lattices in Nd3Sb3Mg2O14

    NASA Astrophysics Data System (ADS)

    Scheie, A.; Sanders, M.; Krizan, J.; Qiu, Y.; Cava, R. J.; Broholm, C.

    2016-05-01

    We introduce Nd3Sb3Mg2O14 with ideal kagome lattices of neodymium ions in ABC stacking. Thermodynamic measurements show a Curie-Weiss temperature of ΘCW=-0.12 K, a Nd3 + spin-1/2 Kramers doublet ground state, and a second-order phase transition at TN=0.56 (2 ) K. Neutron scattering reveals noncoplanar scalar chiral k =0 magnetic order with a correlation length exceeding 400 Å=55 a and an ordered moment of 1.79 (5 ) μB . This order includes a canted ferromagnetic component perpendicular to the kagome planes favored by Dzyaloshinskii-Moriya interactions.

  16. Highly-selective and reversible O2 binding in Cr3(1,3,5-benzenetricarboxylate)2.

    PubMed

    Murray, Leslie J; Dinca, Mircea; Yano, Junko; Chavan, Sachin; Bordiga, Silvia; Brown, Craig M; Long, Jeffrey R

    2010-06-16

    Reaction of Cr(CO)(6) with trimesic acid in DMF affords the metal-organic framework Cr(3)(BTC)(2).nDMF (BTC(3-) = 1,3,5-benzenetricarboxylate), which is isostructural to Cu(3)(BTC)(2).3H(2)O. Exchanging DMF for methanol and heating at 160 degrees C under dynamic vacuum for 48 h results in the desolvated framework Cr(3)(BTC)(2). Nitrogen gas adsorption measurements performed at 77 K revealed a type I isotherm, indicating BET and Langmuir surface areas of 1810 and 2040 m(2)/g, respectively. At 298 K, the O(2) adsorption isotherm for Cr(3)(BTC)(2) rises steeply to a capacity of 11 wt % at 2 mbar, while the corresponding N(2) adsorption isotherm displays very little uptake, gradually rising to a capacity of 0.58 wt % at 1 bar. Accordingly, the material displays an unprecedented O(2)/N(2) selectivity factor of 22. Deoxygenation of the sample could be accomplished by heating at 50 degrees C under vacuum for 48 h, leading to a gradually diminishing uptake capacity over the course of 15 consecutive adsorption/desorption cycles. Infrared and X-ray absorption spectra suggest formation of an O(2) adduct with partial charge transfer from the Cr(II) centers exposed on the surface of the framework. Neutron powder diffraction data confirm this mechanism of O(2) binding and indicate a lengthening of the Cr-Cr distance within the paddle-wheel units of the framework from 2.06(2) to 2.8(1) A.

  17. 3-[2-(1H-Benzimidazol-2-ylsulfan­yl)eth­yl]-1,3-oxazolidin-2-one

    PubMed Central

    Moussaif, Ahmed; Essassi, El Mokhtar; Lazar, Said; Zouihri, Hafid; Leger, Jean Michel

    2010-01-01

    In the title compound, C12H13N3O2S, the oxazolidin ring displays an envelope conformation. The dihedral angle between the benzimidazole ring and the 1,3-oxazolidin-2-one mean plane is 69.85 (13)°. In the crystal, mol­ecules are linked by inter­molecular N—H⋯N hydrogen bonds, forming a chain parallel to the b axis. PMID:21589438

  18. Structure activity optimization of 6H-pyrrolo[2,3-e][1,2,4]triazolo[4,3-a]pyrazines as Jak1 kinase inhibitors.

    PubMed

    Friedman, Michael; Frank, Kristine E; Aguirre, Ana; Argiriadi, Maria A; Davis, Heather; Edmunds, Jeremy J; George, Dawn M; George, Jonathan S; Goedken, Eric; Fiamengo, Bryan; Hyland, Deborah; Li, Bin; Murtaza, Anwar; Morytko, Michael; Somal, Gagandeep; Stewart, Kent; Tarcsa, Edit; Van Epps, Stacy; Voss, Jeffrey; Wang, Lu; Woller, Kevin; Wishart, Neil

    2015-10-15

    Previous work investigating tricyclic pyrrolopyrazines as kinase cores led to the discovery that 1-cyclohexyl-6H-pyrrolo[2,3-e][1,2,4]triazolo[4,3-a]pyrazine (12) had Jak inhibitory activity. Herein we describe our initial efforts to develop orally bioavailable analogs of 12 with improved selectivity of Jak1 over Jak2. PMID:26372653

  19. Synthesis of Novel 2,5-Disubstituted-1,3,4-thiadiazoles Clubbed 1,2,4-Triazole, 1,3,4-Thiadiazole, 1,3,4-Oxadiazole and/or Schiff Base as Potential Antimicrobial and Antiproliferative Agents.

    PubMed

    Rezki, Nadjet; Al-Yahyawi, Amjad M; Bardaweel, Sanaa K; Al-Blewi, Fawzia F; Aouad, Mohamed R

    2015-09-02

    In the present study, a new series of 2,5-disubstituted-1,3,4-thiadiazole tethered 1,2,4-triazole, 1,3,4-thiadiazole, 1,3,4-oxadiazole and Schiff base derivatives were synthesized and characterized by IR, ¹H-NMR, (13)C-NMR, MS and elemental analyses. All compounds were screened for their antibacterial, antifungal and antiproliferative activity. Some of the synthesized derivatives have displayed promising biological activity.

  20. Solubility parameter of poly(2-[3-(6-tetralino)-3-methyl-1-cyclobutyl]-2-hydroxyethyl methacrylate)

    NASA Astrophysics Data System (ADS)

    Wohlfarth, Ch.

    This document is part of Subvolume D2 'Polymer Solutions - Physical Properties and their Relations I (Thermodynamic Properties: PVT -Data and miscellaneous Properties of polymer Solutions) of Volume 6 `Polymers' of Landolt-Börnstein - Group VIII `Advanced Materials and Technologies'.

  1. 3-Methyl-1,2-BN-cyclopentane: a promising H2 storage material?

    PubMed

    Luo, Wei; Neiner, Doinita; Karkamkar, Abhi; Parab, Kshitij; Garner, Edward B; Dixon, David A; Matson, Dean; Autrey, Tom; Liu, Shih-Yuan

    2013-01-21

    We provide detailed characterization of properties for 3-methyl-1,2-BN-cyclopentane 1 that are relevant to H(2) storage applications such as viscosity, thermal stability, H(2) gas stream purity, and polarity. The viscosity of 1 at room temperature is 25 ± 5 cP, about one fourth the viscosity of olive oil. TGA/MS analysis indicates that liquid carrier 1 is thermally stable at 30 °C but decomposes slowly at 50 °C. RGA data suggest that the H(2) desorption from 1 is a clean process, producing relatively pure H(2) gas. Compound 1 is a polar zwitterionic-type liquid consistent with theoretical predictions and solvatochromic studies.

  2. 3-Methyl-1,2-BN-Cyclopentane: A Promising H2 Storage Material?

    SciTech Connect

    Luo, Wei; Neiner, Doinita; Karkamkar, Abhijeet J.; Parab, Kshitij; Garner, Edward B.; Dixon, David A.; Matson, Dean W.; Autrey, Thomas; Liu, Shih-Yuan

    2013-01-21

    We provide detailed characterization of properties for 3-methyl-1,2-BN-cyclopentane 1 that are relevant to H2 storage applications such as viscosity, thermal stability, H2 gas stream purity, and polarity. The viscosity of 1 at room temperature is 25±5 cP, about one fourth the viscosity of olive oil. TGA/MS analysis indicates that liquid carrier 1 is thermally stable at 30 °C but decomposes slowly at 50 °C. RGA data suggest that the H2 desorption from 1 is a clean process, producing relatively pure H2 gas. Compound 1 is a polar zwitterionic type liquid consistent with theoretical predictions and solvatochromic studies. "T.A. acknowledges support from the Fuel Cell Technology Program at U.S. DOE, Office of Energy Efficiency 65 and Renewable Energy. Pacific Northwest National Laboratory is operated by Battelle."

  3. Synthesis of high performance LiNi1/3Mn1/3Co1/3O2 from lithium ion battery recovery stream

    NASA Astrophysics Data System (ADS)

    Sa, Qina; Gratz, Eric; He, Meinan; Lu, Wenquan; Apelian, Diran; Wang, Yan

    2015-05-01

    Spent lithium ion batteries that contain valuable metal elements such as Co, Ni, Mn, Cu are being landfilled in many countries and raising resources depletion and human toxicity potentials. Low cost and high efficiency recovery process is highly desired. In this work we confirmed that high performance Ni1/3Mn1/3Co1/3(OH)2 precursor and LiNi1/3Mn1/3Co1/3O2 cathode material can be synthesized from leaching solution of a lithium ion battery recovery stream. The precursor was synthesized from a typical co-precipitation process with carefully controlling the reaction parameters. Electrochemical properties including rate capacity and cycle life were tested to evaluate the final product. The results show that the cathode material synthesized from spent lithium ion battery recovery stream is performing a discharge capacity of 158 mAh/g at first cycle of 0.1C and 139 mAh/g at first cycle of 0.5C cycle life test. After 100 and 200 cycles, still over 80% and 65% of capacity is remained, respectively. The materials are also evaluated independently at Argonne National Laboratory.

  4. Structure and ferroelectric properties of Bi(Zn(1/2)Ti(1/2))O3-(Bi(1/2)K(1/2))TiO3 perovskite solid solutions.

    PubMed

    Huang, Chien-Chih; Vittayakorn, Naratip; Cann, David P

    2009-07-01

    Lead-free piezoelectric ceramics based on chiBi(Zn(1/2)Ti(1/2))O3-(1-chi)(Bi(1/2)K(1/2))TiO3 were obtained via solid state processing techniques. A single perovskite phase with tetragonal symmetry was obtained for Bi(Zn(1/2)Ti(1/2))O3 (BZT) substitutions up to 20 mol%. The maximum density was 97.1% at the composition of chi = 0.1. The dielectric measurement indicated that the transition temperature decreased linearly with increasing BZT content. The P-E loops revealed an increase in remanent polarization (P(r)) with the addition of BZT. The maximum planar coupling coefficient, kappa(p), for the chi = 0.1 composition was 21.6 and the piezoelectric coefficient, d33, for chi = 0, chi = 0.05, and chi = 0.1 was 108, 185, and 235 pm/V, respectively. Overall, the dielectric and piezoelectric properties showed significant improvement when BZT was added.

  5. Pharmacophore Elucidation and Molecular Docking Studies on 5-Phenyl-1-(3-pyridyl)-1H-1,2,4-triazole-3-carboxylic Acid Derivatives as COX-2 Inhibitors

    PubMed Central

    Lindner, Marc; Sippl, Wolfgang; Radwan, Awwad A.

    2010-01-01

    A set of 5-phenyl-1-(3-pyridyl)-1H-1,2,4-triazole-3-carboxylic acid derivatives (16–32) showing anti-inflammatory activity was analyzed using a three-dimensional qualitative structure-selectivity relationship (3D QSSR) method. The CatalystHipHop approach was used to generate a pharmacophore model for cyclooxygenase-2 (COX-2) inhibitors based on a training set of 15 active inhibitors (1–15). The degree of fitting of the test set compounds (16–32) to the generated hypothetical model revealed a qualitative measure of the more or less selective COX-2 inhibition of these compounds. The results indicate that most derivatives (16, 18, 20–25, and 30–32) are able to effectively satisfy the proposed pharmacophore geometry using energy accessible conformers (Econf < 20 kcal/mol). In addition, the triazole derivatives (16–32) were docked into COX-1 and COX-2 X-ray structures, using the program GOLD. Based on the docking results it is suggested that several of these novel triazole derivatives are active COX inhibitors with a significant preference for COX-2. In principle, this work presents an interesting, comprehensive approach to theoretically predict the mode of action of compounds that showed anti-inflammatory activity in an in vivo model. PMID:21179343

  6. Helicity Amplitudes for Photoproduction of Baryons with J = 1/2 and JP = 3/2+

    NASA Astrophysics Data System (ADS)

    Liu, Lei-Hua

    2015-12-01

    We derive the separate helicity amplitudes using the partial wave analysis in the process of pseudo-scalar meson photoproduction. For JP = 3/2+, we find the amplitude is model independent. According to parity conservation, the general amplitude in the case of JP = 1/2- is obtained. We prove this general amplitude corresponds to the situation of λ = -1 when adopting the circular polarization. Finally, the formulas of scattering amplitudes involving the meson photoproduction with JP = 3/2+ are obtained from the chiral quark model. Supported by the Chinese Scholarship Council (CSC)

  7. Synthesis and structural study on (1E,2E,1'E,2'E)-3,3'-bis[(4-bromophenyl)-3,3'-(4-methy-1,2-phenylene diimine)] acetaldehyde dioxime: A combined experimental and theoretical study

    NASA Astrophysics Data System (ADS)

    Topal, T.; Kart, H. H.; Tunay Taşlı, P.; Karapınar, E.

    2015-06-01

    Tetradentate (1E,2E,1'E,2'E)-3,3'-bis[(4-bromophenyl)-3,3'-(4-methy-1,2-phenylene diimine)] acetaldehyde dioxime which possess N4 donor sets derived from the condensation of isonitroso- p-bromoacetophenone and 3,4-diaminotoluene are synthesized and characterized. The characterization of tetradentate Schiff base ligand has been deduced from LC-MS, FTIR, 13C and 1H NMR spectra and elemental analysis. Furthermore, the molecular geometry, infrared and NMR spectra of the title molecule in the ground state have been calculated by using the quantum chemical computational methods such as density functional theory (DFT) and ab initio Hartree-Fock (HF) methods with the 6-31G(d) and 6-311G(d) basis sets. The computed bond lengths and bond angles by using the both methods show the good agreement with each other. Moreover, the vibrational frequencies have been calculated and the scaled values have been compared with the experimental FTIR spectroscopic data. Assignments of the vibrational modes are made on the basis of potential energy distribution (PED) calculated from by using VEDA program. The correlations between the observed and calculated frequencies are in good agreement with each other as well as the correlation of the NMR data.

  8. Standard technical specifications, Westinghouse Plants: Bases (Sections 2.0--3.3). Volume 2, Revision 1

    SciTech Connect

    1995-04-01

    This NUREG contains the improved Standard Technical Specifications (STS) for Westinghouse plants. Revision 1 incorporates the cumulative changes to Revision 0, which was published in September 1992. The changes reflected in Revision 1 resulted from the experience gained from license amendment applications to convert to these improved STS or to adopt partial improvements to existing technical specifications. This NUREG is the result of extensive public technical meetings and discussions between the Nuclear Regulatory Commission (NRC) staff and various nuclear power plant licensees, Nuclear Steam Supply System (NSSS) Owners Groups, specifically the Westinghouse Owners Group (WOG), NSSS vendors, and the Nuclear Energy Institute (NEI). The improved STS were developed based on the criteria in the Final Commission Policy Statement on Technical Specifications Improvements for Nuclear Power Reactors, dated July 22, 1993 (58 FR 39132). Licensees are encouraged to upgrade their technical specifications consistent with those criteria and conforming, to the extent practical and consistent with the licensing basis for the facility, to Revision 1 to the improved STS. The Commission continues to place the highest priority on requests for complete conversions to the improved STS. Licensees adopting portions of the improved STS to existing technical specifications should adopt all related requirements, as applicable, to achieve a high degree of standardization and consistency.

  9. Diffusion of 4-methyl-pent-3-en-2-one (1); air (2)

    NASA Astrophysics Data System (ADS)

    Winkelmann, J.

    This document is part of Subvolume A `Gases in Gases, Liquids and their Mixtures' of Volume 15 `Diffusion in Gases, Liquids and Electrolytes' of Landolt-Börnstein Group IV `Physical Chemistry'. It is part of the chapter of the chapter `Diffusion in Pure Gases' and contains data on diffusion of (1) 4-methyl-pent-3-en-2-one; (2) air

  10. The First Coordination Polymers Based on 1,3‐Diphosphaferrocenes and 1,1′,2,3′,4‐Pentaphosphaferrocenes†

    PubMed Central

    Heindl, Claudia; Reisinger, Sabine; Schwarzmaier, Christoph; Rummel, Lena; Virovets, Alexander V.; Peresypkina, Eugenia V.

    2015-01-01

    Abstract Phosphaferrocenes in combination with coinage metal salts proved to be excellent building blocks in supramolecular chemistry for the buildup of oligomeric and polymeric assemblies. The synthesis of a series of novel phosphaferrocenes containing the 1,3‐P2C3 iPr3 and/or the 1,2,4‐P3C2 iPr2 ligand is described herein. The self‐assembly processes of the 1,3‐diphospha‐, 1,2,4‐triphospha‐, and 1,1′,2,3′,4‐pentaphosphaferrocenes with CuI halides led to the formation of 1D or 2D polymers. With [Cp*Fe(η5‐P2C3 iPr3)] (Cp* = η5‐C5Me5), infinite chains are formed, whereas with [(η5‐P3C2 iPr2)Fe(η5‐P2C3 iPr3)] 1D ladderlike structures are obtained. These are the first polymers containing such a di‐ and pentaphosphaferrocene, respectively. On the other hand, the use of [Cp*Fe(η5‐P3C2 iPr2)] leads to the construction of 2D networks with intact sandwich complexes, which is uncommon for this class of complexes. PMID:27134554

  11. MISR Level 1B2 Ellipsoid Data (MI1B2E_V3)

    NASA Technical Reports Server (NTRS)

    Diner, David J. (Principal Investigator)

    The MISR instrument consists of nine pushbroom cameras which measure radiance in four spectral bands. Global coverage is achieved in nine days. The cameras are arranged with one camera pointing toward the nadir, four cameras pointing forward and four cameras pointing aftward. It takes 7 minutes for all nine cameras to view the same surface location. The view angles relative to the surface reference ellipsoid, are 0, 26.1, 45.6, 60.0, and 70.5 degrees. The spectral band shapes are nominally gaussian, centered at 443, 555, 670, and 865 nm. The Ellipsoid product is referenced to the World Geodetic System 1984 (WGS84) ellipsoid, which approximates the Earth's shape at sea level. In this product, the radiances and associated altitudes are projected to the ellipsoid, so that higher elevation data appear displaced from their true location for non-nadir camera views, much as they are seen by the instrument. (A cloud at location F, or a mountain top at location T in the image below appears as if it is at location E.) The more oblique the camera view, or the higher in altitude the feature, the more displaced the elevated data will appear. This displacement is used to advantage in MISR stereo retrievals, and this product is the primary input to Level 2 top-of-atmosphere/cloud processing. [Temporal_Coverage: Start_Date=2000-02-24; Stop_Date=] [Spatial_Coverage: Southernmost_Latitude=-90; Northernmost_Latitude=90; Westernmost_Longitude=-180; Easternmost_Longitude=180] [Data_Resolution: Latitude_Resolution=563.2 km (cross-track); Longitude_Resolution=140.8 km (along-track); Temporal_Resolution=about 15 orbits/day; Temporal_Resolution_Range=about 15 orbits/day].

  12. 40 CFR 721.10379 - Propanoic acid, 3-(dodecylthio)-, 2-(1,1-dimethylethyl)-4-[[5-(1,1-dimethylethyl)-4-hydroxy-2...

    Code of Federal Regulations, 2014 CFR

    2014-07-01

    ...,1-dimethylethyl)-4- thio]-5-methylphenyl ester. 721.10379 Section 721.10379 Protection of...-(dodecylthio)-, 2-(1,1-dimethylethyl)-4- thio]-5-methylphenyl ester. (a) Chemical substance and significant new...-(1,1-dimethylethyl)-4- thio]-5-methylphenyl ester (PMN P-10-266; CAS No. 69075-62-3) is subject...

  13. 40 CFR 721.10379 - Propanoic acid, 3-(dodecylthio)-, 2-(1,1-dimethylethyl)-4-[[5-(1,1-dimethylethyl)-4-hydroxy-2...

    Code of Federal Regulations, 2013 CFR

    2013-07-01

    ...,1-dimethylethyl)-4- thio]-5-methylphenyl ester. 721.10379 Section 721.10379 Protection of...-(dodecylthio)-, 2-(1,1-dimethylethyl)-4- thio]-5-methylphenyl ester. (a) Chemical substance and significant new...-(1,1-dimethylethyl)-4- thio]-5-methylphenyl ester (PMN P-10-266; CAS No. 69075-62-3) is subject...

  14. 40 CFR 721.10379 - Propanoic acid, 3-(dodecylthio)-, 2-(1,1-dimethylethyl)-4-[[5-(1,1-dimethylethyl)-4-hydroxy-2...

    Code of Federal Regulations, 2012 CFR

    2012-07-01

    ...,1-dimethylethyl)-4- thio]-5-methylphenyl ester. 721.10379 Section 721.10379 Protection of...-(dodecylthio)-, 2-(1,1-dimethylethyl)-4- thio]-5-methylphenyl ester. (a) Chemical substance and significant new...-(1,1-dimethylethyl)-4- thio]-5-methylphenyl ester (PMN P-10-266; CAS No. 69075-62-3) is subject...

  15. Synthesis and biological activity of hydrazide hydrazones and their corresponding 3-acetyl-2,5-disubstituted-2,3-dihydro-1,3,4-oxadiazoles

    Technology Transfer Automated Retrieval System (TEKTRAN)

    Various new 3-acetyl-2,5-disubstituted-2,3-dihydro-1,3,4-oxadiazoles (11-20) were prepared by the reaction of aryl substituted hydrazones of 4-fluorobenzoic acid hydrazide (1-10) with acetic anhydride. The structures of the newly synthesized compounds 11-20, were confirmed by UV, IR and 1H NMR spec...

  16. 1-Methyl-4-phenyl-1,2,3,6-tetrahydropyridine induced Parkinson's disease in zebrafish.

    PubMed

    Sarath Babu, Nukala; Murthy, Ch Lakshmi N; Kakara, Sameera; Sharma, Rahul; Brahmendra Swamy, Cherukuvada V; Idris, Mohammed M

    2016-05-01

    Parkinson's disease (PD) is the most common age associated neurodegenerative disease, which has been extensively studied for its etiology and phenotype. PD has been widely studied in alternate model system such as rodents towards understanding the role of neurotoxin by inducing PD. This study is aimed to understand the biomechanism of PD in zebrafish model system induced by 1-methyl-4-phenyl-1,2,3,6-tetrahydropyridine (MPTP). The phenotype and role of various genes and proteins for Parkinsonism were tested and evaluated in this study using behavior, molecular and proteomic approaches. Zebrafish PD model induced by 1-methyl-4-phenyl-1,2,3,6-tetrahydropyridine showed a significant level of decrease in the movement with erratic swimming pattern and increased freezing bouts. CHCHD2, EEF2B, LRRK2, PARK7, PARK2, POLG, SNCGB and SYNB genes were differentially regulated at the transcript level in PD zebrafish. Similarly a total of 73 proteins were recognized as differentially expressed in the nervous system of zebrafish due to Parkinsonism based on quantitative proteomics approach. Proteins such as NEFL, MUNC13-1, NAV2 and GAPVD1 were down regulated in the zebrafish brain for the PD phenotype, which were associated with the neurological pathways. This zebrafish based PD model can be used as a potential model system for screening prospective drug molecules for PD. PMID:26959078

  17. 40 CFR 721.10469 - 2-Propenoic acid, 2-ethyltricyclo[3.3.1.13,7]dec-2-yl ester.

    Code of Federal Regulations, 2014 CFR

    2014-07-01

    ... (CONTINUED) TOXIC SUBSTANCES CONTROL ACT SIGNIFICANT NEW USES OF CHEMICAL SUBSTANCES Significant New Uses for...)(i), (a)(2)(iii), (a)(3), (a)(4) (National Institute for Occupational Safety and Health...

  18. 40 CFR 721.10468 - 2-Propenoic acid, 2-methyltricyclo[3.3.1.13,7]dec-2-yl ester.

    Code of Federal Regulations, 2014 CFR

    2014-07-01

    ... (CONTINUED) TOXIC SUBSTANCES CONTROL ACT SIGNIFICANT NEW USES OF CHEMICAL SUBSTANCES Significant New Uses for...)(i), (a)(2)(iii), (a)(3), (a)(4) (National Institute for Occupational Safety and Health...

  19. 49 CFR 173.115 - Class 2, Divisions 2.1, 2.2, and 2.3-Definitions.

    Code of Federal Regulations, 2010 CFR

    2010-10-01

    ... HAZARDOUS MATERIALS SAFETY ADMINISTRATION, DEPARTMENT OF TRANSPORTATION HAZARDOUS MATERIALS REGULATIONS... Assignments and Exceptions for Hazardous Materials Other Than Class 1 and Class 7 § 173.115 Class 2, Divisions..., a flammable gas (Division 2.1) means any material which is a gas at 20 °C (68 °F) or less and...

  20. 49 CFR 173.115 - Class 2, Divisions 2.1, 2.2, and 2.3-Definitions.

    Code of Federal Regulations, 2011 CFR

    2011-10-01

    ... HAZARDOUS MATERIALS SAFETY ADMINISTRATION, DEPARTMENT OF TRANSPORTATION HAZARDOUS MATERIALS REGULATIONS... Assignments and Exceptions for Hazardous Materials Other Than Class 1 and Class 7 § 173.115 Class 2, Divisions..., a flammable gas (Division 2.1) means any material which is a gas at 20 °C (68 °F) or less and...

  1. Electron impact mass spectral fragmentation of 3a,5-disubstituted 1, 3-diphenyl-3a,4,5,6-tetra-hydro-3H-1,2,4-triazolo[4,3-a][1, 5]benzo-diazepines.

    PubMed

    Xu, J; Zhang, Q; Wang, C

    2000-01-01

    The mass spectrometric behaviour of six 3a,5-disubstituted 1, 3-diphenyl-3a,4,5,6-tetrahydro-3H-1,2,4-triazolo[4,3-a][1, 5]benzodiazepines has been studied with the aid of mass-analyzed ion kinetic energy spectrometry and accurate mass measurements under electron impact ionization. All compounds show a tendency to eliminate (substituted) styrene molecules, aryl radicals, arylmethyl radicals or phenylnitrene (PhN:). All of the resulting fragment ions, except [M - PhN:](+.), could further undergo a reverse [2 + 3] cycloaddition. The [M - PhN:](+.) ions could further lose styrene derivatives and undergo a ring enlargement rearrangement. The molecular ions also show a tendency to eliminate a phenyl radical, and the [M - Ph](+) ions could eliminate styrene derivatives. The [M - R(1)CH = CH(2)](+.) ions could further lose NH(2) to yield stable tetracyclic 1,3-diphenyl-1,2,4-triazolo[4,3-d]phenanthridine ions, which could further lose benzonitrile, or undergo a reverse [2 + 3] cycloaddition. The molecular ions could also undergo a reverse [2 + 3] cycloaddition to produce N-phenylbenzonitrile imine ions and 2, 4-disubstituted 2,3-dihydro-1H-1,5-benzodiazepine ions, whose further fragmentations were also investigated.

  2. Magnetic dimers and trimers in the disordered S =3/2 spin system BaTi1/2Mn1/2O3

    NASA Astrophysics Data System (ADS)

    Garcia, F. A.; Kaneko, U. F.; Granado, E.; Sichelschmidt, J.; Hölzel, M.; Duque, J. G. S.; Nunes, C. A. J.; Amaral, R. P.; Marques-Ferreira, P.; Lora-Serrano, R.

    2015-06-01

    We report a structural-magnetic investigation by x-ray absorption spectroscopy (XAS), neutron diffraction, dc susceptibility (χdc), and electron spin resonance (ESR) of the 12R-type perovskite BaTi1/2Mn1/2O3 . Our structural analysis by neutron diffraction supports the existence of structural trimers with chemically disordered occupancy of Mn4+ and Ti4+ ions, with the valence of the Mn ions confirmed by the XAS measurements. The magnetic properties are explored by combining dc-susceptibility and X -band (9.4 GHz) electron spin resonance, both in the temperature interval of 2 ≤T ≤1000 K. A scenario is presented under which the magnetism is explained by considering magnetic dimers and trimers, with exchange constants Ja/kB=200 (2 ) K and Jb/kB=130 (10 ) K, and orphan spins. Thus, BaTi1/2Mn1/2O3 is proposed as a rare case of an intrinsically disordered S =3/2 spin gap system with a frustrated ground state.

  3. Holographic duality between (2 +1 ) -dimensional quantum anomalous Hall state and (3 +1 ) -dimensional topological insulators

    NASA Astrophysics Data System (ADS)

    Gu, Yingfei; Lee, Ching Hua; Wen, Xueda; Cho, Gil Young; Ryu, Shinsei; Qi, Xiao-Liang

    2016-09-01

    In this paper, we study (2 +1 ) -dimensional quantum anomalous Hall states, i.e., band insulators with quantized Hall conductance, using exact holographic mapping. Exact holographic mapping is an approach to holographic duality which maps the quantum anomalous Hall state to a different state living in (3 +1 ) -dimensional hyperbolic space. By studying topological response properties and the entanglement spectrum, we demonstrate that the holographic dual theory of a quantum anomalous Hall state is a (3 +1 ) -dimensional topological insulator. The dual description enables a characterization of topological properties of a system by the quantum entanglement between degrees of freedom at different length scales.

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

    DOEpatents

    Hiskey, Michael A.; Huynh, My Hang

    2010-01-26

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

  5. Challenges in the Discovery of Indoleamine 2,3-Dioxygenase 1 (IDO1) Inhibitors.

    PubMed

    Röhrig, Ute F; Majjigapu, Somi Reddy; Vogel, Pierre; Zoete, Vincent; Michielin, Olivier

    2015-12-24

    Since the discovery of indoleamine 2,3-dioxygenase 1 (IDO1) as an attractive target for anticancer therapy in 2003, the search for inhibitors has been intensely pursued both in academia and in pharmaceutical companies. Many novel IDO1 inhibitor scaffolds have been described, and a few potent compounds have entered clinical trials. However, a significant number of the reported compounds contain problematic functional groups, suggesting that enzyme inhibition could be the result of undesirable side reactions instead of selective binding to IDO1. Here, we describe issues in the employed experimental protocols, review and classify reported IDO1 inhibitors, and suggest different approaches for confirming viable inhibitor scaffolds.

  6. Laser-spectroscopy measurement of the fine-structure splitting 2 3P1-2 3P2 of 4He

    NASA Astrophysics Data System (ADS)

    Feng, G.-P.; Zheng, X.; Sun, Y. R.; Hu, S.-M.

    2015-03-01

    Laser spectroscopy has been performed on a beam of neutral 4He atoms. By using transverse laser cooling and focusing, we are able to prepare a bright beam of atoms in the metastable state 2 3S1 deflected from the original effusive atomic beam. The initial state preparation is completed with optical pumping on the 2 3P12 3S1 transition at the wavelength of 1083 nm, followed by laser spectroscopy on the 2 3P1 ,22 3S1 transitions. The 2 3P1-2 3P2 fine-structure splitting is determined to be 2 291 177.69 ±0.36 kHz . The quantum interference effect is included in data extraction. This is the most precise laser spectroscopy measurement of the interval. Our result is in agreement with both the latest QED-based calculation and the most precise measurement conducted with microwave spectroscopy.

  7. Inhibitory effects of LPA1 on cell motile activities stimulated by hydrogen peroxide and 2,3-dimethoxy-1,4-naphthoquinone in fibroblast 3T3 cells.

    PubMed

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

    2013-11-01

    Reactive oxygen species (ROS) are known to mediate a variety of biological responses, including cell motility. Recently, we indicated that lysophosphatidic acid (LPA) receptor-3 (LPA3) increased cell motile activity stimulated by hydrogen peroxide. In the present study, we assessed the role of LPA1 in the cell motile activity mediated by ROS in mouse fibroblast 3T3 cells. 3T3 cells were treated with hydrogen peroxide and 2,3-dimethoxy-1,4-naphthoquinone (DMNQ) at concentrations of 0.1 and 1 μM for 48 h. In cell motility assays with Cell Culture Inserts, the cell motile activities of 3T3 cells treated with hydrogen peroxide and DMNQ were significantly higher than those of untreated cells. 3T3 cells treated with hydrogen peroxide and DMNQ showed elevated expression levels of the Lpar3 gene, but not the Lpar1 and Lpar2 genes. To investigate the effects of LPA1 on the cell motile activity induced by hydrogen peroxide and DMNQ, Lpar1-overexpressing (3T3-a1) cells were generated from 3T3 cells and treated with hydrogen peroxide and DMNQ. The cell motile activities stimulated by hydrogen peroxide and DMNQ were markedly suppressed in 3T3-a1 cells. These results suggest that LPA signaling via LPA1 inhibits the cell motile activities stimulated by hydrogen peroxide and DMNQ in 3T3 cells.

  8. 3-in-1 vs 2-in-1 parenteral nutrition in adults: a review.

    PubMed

    Slattery, Eoin; Rumore, Martha M; Douglas, Janine S; Seres, David S

    2014-10-01

    Parenteral nutrition (PN) provides a means of nourishment for patients in whom oral or enteral nutrition is not possible or practical. Initial formulations consisted of carbohydrates (dextrose), amino acids, vitamins, trace minerals, electrolytes, and water. A stable intravenous fat emulsion (IVFE) permitted the combination of all 3 macronutrients in the same admixture (3-in-1 or total nutrient admixture [TNA]). Many institutions have adopted these TNAs as the standard formulation. Others, due to a variety of concerns (including historical concerns regarding stability), continue to administer PN as a formulation of dextrose and amino acids (2-in-1) with separate IVFE infusions. The aim of this article is to review the literature regarding the use of TNA vs 2-in-1 formulations. The published data were critically analyzed, and a preferred strategy was suggested based on an interpretation of the data. Concerns surrounding the safety of 2-in-1 vs 3-in-1 PN formulations can be grouped with respect to those regarding infections, emulsion instability (“cracking”), and precipitant formation. These concerns are largely historical and would seem to be no longer relevant to adult PN formulations. We believe that the available (limited) data support the safe transition to the 3-in-1 formulation as the standard of care in adult PN.

  9. (Z)-2-[(1-Phenylsulfonyl-1H-indol-3-yl)methylene]-1-azabicyclo[2.2.2]octan-3-one semicarbazone.

    PubMed

    Sonar, Vijayakumar N; Venkatraj, M; Parkin, Sean; Crooks, Peter A

    2007-05-01

    In crystals of the title compound, C(23)H(23)N(5)O(3)S, the indole system is planar and the phenyl ring of the phenylsulfonyl group makes a dihedral angle with the best plane of the indole system of 77.18 (4) degrees. The olefinic bond connecting the azabicyclic and indole systems has Z geometry. The geometry adopted by the C=O bond with respect to the N-N bond is trans. The O atom of the carbonyl group of each molecule is hydrogen bonded to the hydrazidic H atom of an adjacent molecule to form an eight-membered-ring dimeric structure.

  10. IN VITRO DETERMINATION OF KINETIC CONSTANTS FOR 1,3-DICHLOROPROPANE, 2,2-DICHLOROPROPANE, AND 1,1-DICHLOROPROPENE IN RAT LIVER MICROSOMES AND CYTOSOL

    EPA Science Inventory

    The Safe Drinking Water Act requires the U.S. EPA to establish a list of contaminants to aid in priority setting for the Agency's drinking water program. The 1998 Contaminant Candidate List (CCL) designated 1,3-Dichloropropane (1,3-DCP), 2,2-dichloropropane (2,2-DCP), and 1,1-...

  11. 2-(2-Chloro-phen-yl)-5-methyl-1,3-dioxane-5-carboxylic acid.

    PubMed

    Jia, Guo-Kai; Yuan, Lin; Zhang, Min; Yuan, Xian-You

    2012-07-01

    In the title compound, C(12)H(13)ClO(4), the 1,3-dioxane ring adopts a chair conformation and the 2-chloro-benzene and methyl substituents occupy equatorial sites. The carboxyl group is in an axial inclination. In the crystal, carb-oxy-lic acid inversion dimers linked by pairs of O-H⋯O hydrogen bonds generate R(2) (2)(8) loops. PMID:22807863

  12. The B(1/2 2P3/2) --> X(1/2 2Sigma + ) transition in XeBr

    NASA Astrophysics Data System (ADS)

    Clevenger, Jason O.; Tellinghuisen, Joel

    1995-12-01

    The B(1/2 2P3/2)→X(1/2 2Σ+) transition in XeBr is recorded at high resolution, using a CCD array detector to record spectra from Tesla discharge sources containing isotopically pure 136Xe with 81Br2 or 79Br2. The high signal/noise capabilities of the detector permit the measurement of discrete vibrational structure in this system, which has normally been treated as a purely bound-free transition. The assignments comprise 119 υ'-υ″ bands for 136Xe81Br and 86 for 136Xe79Br, spanning υ'=0-33 and υ″=0-16. The van der Waals ground state is analyzed through fits to the customary polynomials in (υ+1/2) and to near-dissociation expansions. Franck-Condon calculations are used to locate the X-state potential on the internuclear axis relative to the B state, which is modeled as a Rittner potential. The following fundamental spectroscopic constants (units cm-1, for 136Xe81Br) are obtained from the analysis: Te'=35 863.2, ωe'=135.72, ωexe'=0.32, ωe″=25.7, ωexe″=0.62. The ground state has a dissociation energy De″=254±2 cm-1 and supports 24 bound vibrational levels.

  13. Copper Impurity Effects on LiNi(1/3)Mn(1/3)Co(1/3)O2 Cathode Material.

    PubMed

    Sa, Qina; Heelan, Joseph A; Lu, Yuan; Apelian, Diran; Wang, Yan

    2015-09-23

    The crystal structure and electrochemical properties of LiNi1/3Mn1/3Co1/3O2 (NMC) synthesized from a lithium ion battery recovery stream have been studied previously. In this report, we study the Cu impurity effects on NMC in detail. The difference in crystal structures and electrochemical properties were examined for pure and copper impurity included products. Scanning electron microscopy figures show that the precursor particles of NMC are slightly bigger than that of NMC with copper impurity. After undergoing 150 cycles at 2C, X-ray diffraction refinements results show that the lattice parameters for impurity containing NMC and pure NMC change to different extents. Furthermore, due to the minor change of lattice parameters, copper-containing NMC offers a more stable capacity retention compared to pure NMC.

  14. Synthesis and structure of 1-methyl-2,3-dihydro-1,2,4-triazolium salts and their free bases

    SciTech Connect

    Pinson, V.V.; Krustalev, V.A.; Matveeva, Z.M.; Zelenin, K.N.

    1985-04-01

    1-Methyl-2,3-dihydro-1,2,4-triazolium iodides can be obtained by reacting methylhydrazones with S-methylthioamide hydriodides, by condensing 2-methylamidrazone hydriodides with aldehydes and ketones, or by reacting methyl iodide with 1-alkylidene(or arylidene) benzamidrazones. In solutions these salts are capable of undergoing tautomerism to 1-alkylidene(or arylidene)-2-methylamidrazone hydriodides. The influence of the structural factors on the position of the tautomeric equilibrium has been studied. The free bases obtained by neutralization of the respective salts by an alkali metal hydroxide are heretofore undescribed 1-alkylidene(or arylidene)-2-methylhydrazidoimines or 4-triazolines, depending on their structure. Under the action of oxygen, these compounds are readily oxidized to substituted 1-methyl-1,2,4-triazoles with heating.

  15. Composition Dependence of Electrocaloric Effect in (1 - x)Pb(Mg1/3Nb2/3)O3 -xPbTiO3 Single Crystals

    NASA Astrophysics Data System (ADS)

    Qiu, Jian-Hua; Wang, Xiu-Qin; Yuan, Ning-Yi; Ding, Jian-Ning

    2015-07-01

    Composition dependence of electrocaloric effect is investigated in (1 - x)Pb(Mg1/3Nb2/3)O3 - xPbTiO3 single crystals by using an eighth-order Landau-Devonshire theory. The applied electric field along [001] direction reduces the ferroelectric-ferroelectric phase transition temperatures, but increases the Curie temperatures. The electrocaloric coefficients of tetragonal phase are much larger than that of rhombohedral and monoclinic phase. A negative electrocaloric effect is observed near the MC-T phase transition in 0.69Pb(Mg1/3Nb2/3)O3-0.31PbTiO3 single crystal. The application of a strong enough electric field results in a high adiabatic temperature change over a broad range of temperature. Therefore, it would be useful to construct a solid state cooling cycle over a broad temperature range for practical applications. Supported by the State Key Program of National Natural Science of China under Grant No. 51335002, Changzhou Science and Technology Project under Grant No. CJ20130022, and the Priority Academic Program Development of Jiangsu Higher Education Institutions on Renewable Energy Material Science and Engineering

  16. Study of Y(3S, 2S)-> eta Y(1S) and Y(3S, 2S) -> pi pi- Y(1S) Hadronic Transitions

    SciTech Connect

    Lees, J.P.; Poireau, V.; Tisserand, V.; Garra Tico, J.; Grauges, E.; Martinelli, M.; Milanes, D.A.; Palano, A.; Pappagallo, M.; Eigen, G.; Stugu, B.; Brown, D.N.; Kerth, L.T.; Kolomensky, Yu.G.; Lynch, G.; Koch, H.; Schroeder, T.; Asgeirsson, D.J.; Hearty, C.; Mattison, T.S.; McKenna, J.A.; /British Columbia U. /Brunel U. /Novosibirsk, IYF /UC, Irvine /UC, Riverside /UC, Santa Barbara /UC, Santa Cruz /Caltech /Cincinnati U. /Colorado U. /Colorado State U. /Dortmund U. /Dresden, Tech. U. /Ecole Polytechnique /Edinburgh U. /INFN, Ferrara /INFN, Ferrara /Ferrara U. /INFN, Ferrara /Frascati /INFN, Genoa /Genoa U. /INFN, Genoa /INFN, Genoa /Genoa U. /INFN, Genoa /Indian Inst. Tech., Guwahati /Harvard U. /Harvey Mudd Coll. /Heidelberg U. /Humboldt U., Berlin /Imperial Coll., London /Iowa State U. /Iowa State U. /Johns Hopkins U. /Paris U., VI-VII /LLNL, Livermore /Liverpool U. /Queen Mary, U. of London /Royal Holloway, U. of London /Royal Holloway, U. of London /Louisville U. /Mainz U., Inst. Kernphys. /Manchester U. /Maryland U. /Massachusetts U., Amherst /MIT /McGill U. /INFN, Milan /Milan U. /INFN, Milan /INFN, Milan /Milan U. /Mississippi U. /Montreal U. /INFN, Naples /Naples U. /NIKHEF, Amsterdam /NIKHEF, Amsterdam /Notre Dame U. /Ohio State U. /Oregon U. /INFN, Padua /Padua U. /INFN, Padua /INFN, Padua /Padua U. /Paris U., VI-VII /INFN, Perugia /Perugia U. /INFN, Pisa /Pisa U. /INFN, Pisa /Pisa, Scuola Normale Superiore /INFN, Pisa /Pisa U. /INFN, Pisa /INFN, Pisa /Pisa U. /INFN, Pisa /Princeton U. /INFN, Rome /INFN, Rome /Rome U. /INFN, Rome /INFN, Rome /Rome U. /INFN, Rome /Rostock U. /Rutherford /DAPNIA, Saclay /SLAC /South Carolina U. /Southern Methodist U. /Stanford U., Phys. Dept. /SUNY, Albany /Tel Aviv U. /Tennessee U. /Texas Nuclear Corp., Austin /Texas U., Dallas /INFN, Turin /Turin U. /INFN, Trieste /Trieste U. /Valencia U. /Victoria U. /Warwick U. /Wisconsin U., Madison

    2012-03-27

    We study the {Upsilon}(3S, 2S) {yields} {eta}{Upsilon}(1S) and {Upsilon}(3S, 2S) {yields} {pi}{sup +}{pi}{sup -}{Upsilon}(1S) transitions with 122 x 10{sup 6} {Upsilon}(3S) and 100 x 10{sup 6} {Upsilon}(2S) mesons collected by the BABAR detector at the PEP-II asymmetric-energy e{sup +}e{sup -} collider. We measure {Beta}[{Upsilon}(2S) {yields} {eta}{Upsilon}(1S)] = (2.39 {+-} 0.31(stat.) {+-} 0.14(syst.)) x 10{sup -4} and {Lambda}[{Upsilon}(2S) {yields} {eta}{Upsilon}(1S)]/{Lambda}[{Upsilon}(2S) {yields} {pi}{sup +}{pi}{sup -}{Upsilon}(1S)] = (1.35 {+-} 0.17(stat.) {+-} 0.08(syst.)) x 10{sup -3}. We find no evidence for {Upsilon}(3S) {yields} {eta}{Upsilon}(1S) and obtain {Beta}[{Upsilon}(3S) {yields} {eta}{Upsilon}(1S)] < 1.0 x 10{sup -4} and {Lambda}[{Upsilon}(3S) {yields} {eta}{Upsilon}(1S)]/{Lambda}[{Upsilon}(3S) {yields} {pi}{sup +}{pi}{sup -}{Upsilon}(1S)] < 2.3 x 10{sup -3} as upper limits at the 90% confidence level. We also provide improved measurements of the {Upsilon}(2S)-{Upsilon}(1S) and {Upsilon}(3S)-{Upsilon}(1S) mass differences, 562.170 {+-} 0.007(stat.) {+-} 0.088(syst.)MeV/c{sup 2} and 893.813 {+-} 0.015(stat.) {+-} 0.107(syst.)MeV/c{sup 2}, respectively.

  17. 3, 3‧-sulfonyldipropionitrile: A novel electrolyte additive that can augment the high-voltage performance of LiNi1/3Co1/3Mn1/3O2/graphite batteries

    NASA Astrophysics Data System (ADS)

    Zheng, Xiangzhen; Huang, Tao; Pan, Ying; Wang, Wenguo; Fang, Guihuang; Ding, Kaining; Wu, Maoxiang

    2016-07-01

    Our study shows that 3, 3‧-sulfonyldipropionitrile (SDPN), as an electrolyte additive, can dramatically enhance the performance of LiNi1/3Co1/3Mn1/3O2/graphite lithium-ion batteries (LIBs) at high voltages (3.0-4.6 V vs. Li/Li+). After adding 0.2 wt% SDPN to the electrolytes; i.-e., 1.0 M LiPF6-EC/DMC/EMC, the capacity for the LiNi1/3Co1/3Mn1/3O2/graphite cell to retain power was significantly increased from 59.5% to 77.3% after only 100 cycles, which shows the promising application of SDPN at higher voltages. Density functional theory calculation results indicate that SDPN had reduced oxidative constancy compared to ethylene carbonate (EC), dimethyl carbonate (DMC) and ethyl methyl carbonate (EMC). The effects of SDPN on cell performance are characterized by scanning electron microscopy (SEM), transmission electron microscopy (TEM), electrochemical impedance spectroscopy (EIS) and X-ray photoelectron spectroscopy (XPS). The testing results indicate that the improvement in cycling activity could be ascribed to the thinner cathode electrolyte interface film originated from SDPN on the LIB using LiNi1/3Co1/3Mn1/3O2, which reduced the interfacial resistance at a high voltage, but also protected the decomposition of electrolytes and suppressed transition metal dissolution.

  18. (3R,4S)-3,4-Isopropylidenedioxy-5-phenylsulfonylmethyl-3,4-dihydro-2H-pyrrole 1-oxide

    PubMed Central

    Flores, Mari Fe; Garcia, P.; M. Garrido, Narciso; Sanz, Francisca; Diez, David

    2011-01-01

    The title compound, C14H17NO5S, was prepared by oxidation of (2R,3S,4R)-2-phenyl­sulfonyl­methyl-1-hy­droxy-3,4-iso­pro­pyl­idene­dioxy­pyrrolidine. Its crystal structure confirms unequivocally its configuration. Two inter­molecular C—H⋯O inter­actions help to establish the packing. PMID:21754431

  19. Human safety and pharmacokinetics of the CFC alternative propellants HFC 134a (1,1,1,2-tetrafluoroethane) and HFC 227 (1,1,1,2,3,3, 3-heptafluoropropane) following whole-body exposure.

    PubMed

    Emmen, H H; Hoogendijk, E M; Klöpping-Ketelaars, W A; Muijser, H; Duistermaat, E; Ravensberg, J C; Alexander, D J; Borkhataria, D; Rusch, G M; Schmit, B

    2000-08-01

    HFC 134a (1,1,1,2-tetrafluoroethane) and HFC 227 (1,1,1,2,3,3, 3-heptafluoropropane) are used to replace chlorofluorocarbons (CFCs) in refrigerant and aerosol applications, including medical use in metered-dose inhalers. Production and consumption of CFCs are being phased out under the Montreal Protocol on Substances that Deplete the Ozone Layer. The safety and pharmacokinetics of HFC 134a and HFC 227 were assessed in two separate double-blind studies. Each HFC (hydrofluorocarbon) was administered via whole-body exposure as a vapor to eight (four male and four female) healthy volunteers. Volunteers were exposed, once weekly for 1 h, first to air and then to ascending concentrations of HFC (1000, 2000, 4000, and 8000 parts per million (ppm)), interspersed with a second air exposure and two CFC 12 (dichlorodifluoromethane) exposures (1000 and 4000 ppm). Comparison of either HFC 134a or HFC 227 to CFC 12 or air gave no clinically significant results for any of the measured laboratory parameters. There were no notable adverse events, there was no evidence of effects on the central nervous system, and there were no symptoms of upper respiratory tract irritation. HFC 134a, HFC 227, and CFC 12 blood concentrations increased rapidly and in an exposure-concentration-dependent manner, although not strictly proportionally, and approached steady state. Maximum blood concentrations (C(max)) tended to be higher in males than females; in the HFC 227 study, these were statistically significantly (P < 0. 05) higher in males for each HFC 227 and CFC 12 exposure level. In the HFC 134a study, the gender difference in C(max) was only statistically significant (P < 0.05) for CFC 12 at 4000 ppm and HFC 134a at 8000 ppm. Following the end of exposure, blood concentrations declined rapidly, predominantly biphasically and independent of exposure concentration. For the HFC 134a study, the t(1/2)alpha (alpha elimination half-life) was short for both CFC 12 and HFC 134a (<11 min). The t(1/2

  20. Relative Rate and Product Studies of the Reactions of Atomic Chlorine with Tetrafluoroethylene, 1,2-Dichloro-1,2-difluoroethylene, 1,1-Dichloro-2,2-difluoroethylene, and Hexafluoro-1,3-butadiene in the Presence of Oxygen.

    PubMed

    Herath, Thushani N; Clinch, Eric C; Orozco, Ivan; Raign, Erin L; Marshall, Paul

    2016-09-22

    Rate coefficients k1-k3 have been measured for Cl atom reactions with CF2═CF2, CFCl═CFCl, and CCl2═CF2 relative to k4 for CF2═CF-CF═CF2 at 293 ± 2 K. k4 was remeasured relative to Cl + ethane. Cl was generated by UV photolysis of Cl2, and other species were monitored by FT-IR spectroscopy. The measurements yield k1 = (6.6 ± 1.0) × 10(-11), k2 = (6.5 ± 1.0) × 10(-11), and k3 = (7.1 ± 1.1) × 10(-11) cm(3) molecule(-1) s(-1), respectively, and k4 = (8.0 ± 1.2) × 10(-11) cm(3) molecule(-1) s(-1) is proposed. These results are discussed in the context of atmospheric chemistry. Subsequent chemistry in the presence of oxygen leads to oxygenated products that are identified via their IR spectra, and possible mechanisms are discussed. The yield of CF2O from C2F4 is 93 ± 7%. Dichlorofluoroacetyl fluoride (CCl2FCFO) was observed as a product from CFClCFCl, and chlorodifluoroacetyl chloride (CClF2CClO) was observed from CCl2CF2 oxidation. C4F6 led to 66 ± 5% CF2O and 38 ± 3% OCF2CFC(F)═O. Reaction enthalpies and enthalpy barriers computed via CBS-QB3 theory help rule out some unfavorable mechanistic steps.

  1. Relative Rate and Product Studies of the Reactions of Atomic Chlorine with Tetrafluoroethylene, 1,2-Dichloro-1,2-difluoroethylene, 1,1-Dichloro-2,2-difluoroethylene, and Hexafluoro-1,3-butadiene in the Presence of Oxygen.

    PubMed

    Herath, Thushani N; Clinch, Eric C; Orozco, Ivan; Raign, Erin L; Marshall, Paul

    2016-09-22

    Rate coefficients k1-k3 have been measured for Cl atom reactions with CF2═CF2, CFCl═CFCl, and CCl2═CF2 relative to k4 for CF2═CF-CF═CF2 at 293 ± 2 K. k4 was remeasured relative to Cl + ethane. Cl was generated by UV photolysis of Cl2, and other species were monitored by FT-IR spectroscopy. The measurements yield k1 = (6.6 ± 1.0) × 10(-11), k2 = (6.5 ± 1.0) × 10(-11), and k3 = (7.1 ± 1.1) × 10(-11) cm(3) molecule(-1) s(-1), respectively, and k4 = (8.0 ± 1.2) × 10(-11) cm(3) molecule(-1) s(-1) is proposed. These results are discussed in the context of atmospheric chemistry. Subsequent chemistry in the presence of oxygen leads to oxygenated products that are identified via their IR spectra, and possible mechanisms are discussed. The yield of CF2O from C2F4 is 93 ± 7%. Dichlorofluoroacetyl fluoride (CCl2FCFO) was observed as a product from CFClCFCl, and chlorodifluoroacetyl chloride (CClF2CClO) was observed from CCl2CF2 oxidation. C4F6 led to 66 ± 5% CF2O and 38 ± 3% OCF2CFC(F)═O. Reaction enthalpies and enthalpy barriers computed via CBS-QB3 theory help rule out some unfavorable mechanistic steps. PMID:27579511

  2. Synthesis and antifungal activities of 2-(N-arylsulfonylindol-3-yl)-3-aryl-1,3-thiazinan-4-ones.

    PubMed

    Qu, Huan; Zhang, Rui; Hu, Ying; Ke, Yazhen; Gao, Zhinan; Xu, Hui

    2013-01-01

    A series of 2-(N-arylsulfonylindol-3-yl)-3-aryl-1,3-thiazinan-4-one derivatives were synthesized and evaluated in vitro against seven phytopathogenic fungi, namely Fusarium graminearum, Alternaria solani, Fusarium oxysporium f. sp. vasinfectum, Alternaria brassicae, Valsa mali, Alternaria alternata, and Pyricularia oryzae. Among all derivatives, especially compound 4j exhibited a potential antifungal activity against four phytopathogenic fungi. PMID:23819301

  3. Absence of tetragonal distortion in (1-x)SrTiO3-xBi(Zn1/2Ti1/2)O3 solid solution

    NASA Astrophysics Data System (ADS)

    Pandey, Rishikesh; Kiran Pillutla, Ravi; Shankar, Uma; Kumar Singh, Akhilesh

    2013-05-01

    We have carried out powder x-ray diffraction and dielectric studies on the lead free solid solution (1-x)SrTiO3-xBi(Zn1/2Ti1/2)O3 [(1-x)ST-xBZT] with x = 0.05, 0.10, 0.15, 0.20, 0.30, and 0.50 to explore the ferroelectric and piezoelectric properties. Analysis of the powder x-ray diffraction data reveals the cubic structure (space group Pm3m) of (1-x)ST-xBZT for the composition with x ≤ 0.20, at room temperature as well as at low temperature. Highly tetragonal BZT fails to introduce any tetragonality when alloyed with ST. The solid solubility is limited to x < 0.20 and for higher BZT concentrations impurity phases start appearing. The ferroelectric and dielectric characterization of (1-x)ST-xBZT solid solution shows that all the compositions are paraelectric. The implications of the absence of tetragonal distortion in (1-x)ST-xBZT solid solution is discussed in connection with recently investigated other solid solutions based on BZT.

  4. Crystal structure of 4'-(2-meth-oxy-quinolin-3-yl)-1'-methyl-dispiro-[indan-2,2'-pyrrolidine-3',3''-indoline]-1,3,2''-trione.

    PubMed

    Mathusalini, Sadasivam; Viswanathan, Vijayan; Mohan, Palathurai Subramaniam; Lin, Chia-Her; Velmurugan, Devadasan

    2015-12-01

    In the title compound, C30H23N3O4, the central 1-methyl-pyrrolidine ring adopts a twist conformation on the N-CH2 bond. The pyrrolidin-2-one ring of the indolin-2-one ring system also has a twist conformation on the C-C bond involving the spiro C atom and the carbonyl C atom. The five-membered ring of the indene-1,3-dione moiety has an envelope conformation with the spiro C atom as the flap. The quinoline ring system adopts an almost planar conformation (r.m.s. deviation = 0.04 Å). The mean planes of the indolin-2-one ring system, the indene-1,3-dione ring system and the the quinoline ring system are inclined to the mean plane of the central 1-methyl-pyrrolidine ring by 77.97 (7), 86.98 (7) and 46.58 (6)°, respectively. In the crystal, mol-ecules are linked via N-H⋯N hydrogen bonds, forming chains along the b axis. The chains are linked via a number of C-H⋯O hydrogen bonds, and C-H⋯π and π-π inter-actions [inter-centroid distance = 3.7404 (9) Å], forming a three-dimensional network. PMID:26870486

  5. Cu(I) complexes of 3,3'-polymethylene bridged derivatives of 2,2'-bi-1,10-phenanthroline.

    PubMed

    Riesgo, Elvira C; Hu, Yi-Zhen; Thummel, Randolph P

    2003-10-20

    A series of 3,3'-polymethylene-2,2'-bi-1,10-phenanthrolines coordinate with Cu(I) to form dinuclear complexes [(CuL)(2)](2+). As the 3,3'-bridge is lengthened from two to four carbons, the ligand becomes more twisted about the 2,2'-bond, favoring dinuclear coordination. The distance between the two copper atoms varies from 2.92 A for the dimethylene-bridged system to 3.59 A for the tetramethylene bridge. Favorable pi-stacking interactions occur between opposing ligands and promote complex formation. Competition experiments indicate that self-recognition is important and only homoleptic complexes are observed. Under equilibrium conditions, formation of the tetramethylene-bridged complex appears to be the most favored while the dimethylene-bridged system is least favored. The intensity of the long wavelength metal-ligand charge-transfer absorption band decreases as the 3,3'-bridge is shortened. Interaction between the two copper centers is evidenced by a splitting of the oxidation wave, and this splitting increases as the Cu-Cu distance is decreased.

  6. (2S,1'S,2'R,3'R)-2(2'-Carboxy-3'-hydroxymethylcyclopropyl)glycine-[3H], a potent and selective radioligand for labeling group 2 and 3 metabotropic glutamate receptors.

    PubMed

    Wheeler, William J; Clodfelter, Dean K; Collado, Ivan; Kulanthaivel, Palaniappan; Pedregal, Concepcion; Stoddard, Eli A; Wright, Rebecca A; Schoepp, Darryle D

    2005-01-17

    We report herein the synthesis of the tritium labeled isotopomer of 1 and its use as a radioligand to label mGlu8 receptors in rat forebrain membranes as well as cloned human recombinant mGlu receptors. [(3)H]-1 was synthesized by the NaBT(4) reduction of an activated analog of 5. [(3)H]-1 bound appreciably to recombinant human mGlu2, mGlu3 and mGlu8 receptors and to rat forebrain membranes and was displaced by L-glutamate and L-(+)-2 amino-4-phosphonobutyric acid. The results indicate that [(3)H]-1 should be a useful ligand for the study of mGluR2, 3, and 8 receptors in cloned cell lines and possibly brain tissue. PMID:15603952

  7. Hierarchical domain structure of lead-free piezoelectric (Na1/2 Bi1/2)TiO3-(K1/2 Bi1/2)TiO3 single crystals

    NASA Astrophysics Data System (ADS)

    Luo, Chengtao; Wang, Yaojin; Ge, Wenwei; Li, Jiefang; Viehland, Dwight; Delaire, Olivier; Li, Xiaobin; Luo, Haosu

    2016-05-01

    We report a unique hierarchical domain structure in single crystals of (Na1/2Bi1/2)TiO3-xat. %(K1/2Bi1/2)TiO3 for x = 5 and 8 by transmission electron microscopy (TEM). A high density of polar nano-domains with a lamellar morphology was found, which were self-assembled into a quadrant-like configuration, which then assembled into conventional ferroelectric macro-domains. Studies by high resolution TEM revealed that the polar lamellar regions contained a coexistence of in-phase and anti-phase oxygen octahedral tilt regions of a few nanometers in size. Domain frustration over multiple length scales may play an important role in the stabilization of the hierarchy, and in reducing the piezoelectric response of this Pb-free piezoelectric solid solution.

  8. Novel 3-nitro-1H-1,2,4-triazole-based piperazines and 2-amino-1,3-benzothiazoles as antichagasic agents

    PubMed Central

    Papadopoulou, Maria V.; Bloomer, William D.; Rosenzweig, Howard S.; Kaiser, Marcel; Chatelain, Eric; Ioset, Jean-Robert

    2013-01-01

    We have previously shown that 3-nitro-1H-1,2,4-triazole-based amines demonstrate significant trypanocidal activity, in particular against T. cruzi, the causative parasite of Chagas disease. In the present work we further expanded our research by evaluating in vitro the trypanocidal activity of nitrotriazole-based piperazines and nitrotriazole-based 2-amino-1,3-benzothiazoles to establish additional SARs. All nitrotriazole-based derivatives were active or moderately active against T. cruzi; however two of them did not fulfill the selectivity criteria. Five derivatives were active or moderately active against T.b. rhodesiense while one derivative was moderately active against L. donovani. Active compounds against T. cruzi demonstrated selectivity indexes (toxicity to host cells/toxicity to T. cruzi amastigotes) from 117-1725 and 12 of 13 compounds were up to 39-fold more potent than the reference compound benznidazole. Detailed SARs are discussed. PMID:24012457

  9. Synthesis and Biological Evaluation of a Series of 2-((1-substituted-1H-1,2,3-triazol-4-yl)methylthio)-6-(naphthalen-1-ylmethyl)pyrimidin-4(3H)-one As Potential HIV-1 Inhibitors.

    PubMed

    Fang, Zengjun; Kang, Dongwei; Zhang, Lingzi; Huang, Boshi; Liu, Huiqing; Pannecouque, Christophe; De Clercq, Erik; Zhan, Peng; Liu, Xinyong

    2015-10-01

    A series of novel S-DABO derivatives with the substituted 1,2,3-triazole moiety on the C-2 side chain were synthesized using the simple and efficient CuAAC reaction, and biologically evaluated as inhibitors of HIV-1. Among them, the most active HIV-1 inhibitor was compound 4-((4-((4-(2,6-dichlorobenzyl)-5-methyl-6-oxo-1,6-dihydropyrimidin-2-ylthio)methyl)-1H-1,2,3-triazol-1-yl)methyl)benzenesulfonamide (B5b7), which exhibited similar HIV-1 inhibitory potency (EC50  = 3.22 μm) compared with 3TC (EC50  = 2.24 μm). None of these compounds demonstrated inhibition against HIV-2 replication. The preliminary structure-activity relationship (SAR) of these new derivatives was discussed briefly.

  10. 2,3,7, 8-TETRACHLORODIBENZO-P-DIOXIN (TCDD)-MEDIATED OXIDATIVE STRESS IN FEMALE CYP1A-2 KNOCKOUT (CYP1A2-/-) MICE

    EPA Science Inventory

    2,3,7,8-Tetrachlordibenzo-p-dioxin (TCDD)-Mediated Oxidative Stress in Female CYP1A2 Knockout (CYP1A2-/-) Mice

    Deborah Burgin1, Janet Diliberto2, Linda Birnbaum2
    1UNC Toxicology; 2USEPA/ORD/NHEERL, RTP, NC

    Most of the effects due to TCDD exposure are mediated via...

  11. Connecting modes of linking ligands containing different terminal groups (pyridyl-amine or pyridyl-pyridyl): Preparation and structures of {[Cd( L1) 2(OH 2) 2]·(ClO 4) 2·(C 6H 6)} ∞, {[Cd( L2) 2(ClO 4) 2]·(CH 3OH) 2} ∞, {[Cd( L3) 2(OH 2) 2]·(ClO 4) 2} ∞, and [Cd( L4) 2(CH 3OH) 2(ClO 4) 2] {( m-py)-CH dbnd N-(CH 3)C 6H 3-C 6H 3(CH 3)-NH 2 ( m = 3 ( L1) or 4 ( L2)); ( n-py)-CH dbnd N-(CH 3)C 6H 3-C 6H 3(CH 3)-N dbnd CH-( n-py); ( n = 3 ( L3) or 4 ( L4))}

    NASA Astrophysics Data System (ADS)

    Yun, Sung Yol; Lee, Kyung-Eun; Lee, Soon W.

    2009-10-01

    We prepared four potential linking ligands, [(3-py)-CH dbnd N-(CH 3)C 6H 3-C 6H 3(CH 3)-NH 2, L1], [(4-py)-CH dbnd N-(CH 3)C 6H 3-C 6H 3(CH 3)-NH 2, L2], [(3-py)-CH dbnd N-(CH 3)C 6H 3-C 6H 3(CH 3)-N dbnd CH-(3-py), L3], and [(4-py)-CH dbnd N-(CH 3)C 6H 3-C 6H 3(CH 3)-N dbnd CH-(4-py), L4], all of which contain an intervening biphenyl fragment. Whereas ligands L1 and L2 have two types of terminal groups (pyridyl-amine), ligands L3 and L4 have a single type of terminal groups (pyridyl-pyridyl). Ligands L1- L4 reacted with cadmium nitrate to produce {[Cd( L1) 2(OH 2) 2]·(ClO 4) 2·(C 6H 6)} ∞ ( 1), {[Cd( L2) 2(ClO 4) 2]·(CH 3OH) 2} ∞ ( 2), {[Cd( L3) 2(OH 2) 2]·(ClO 4) 2} ∞ ( 3), and [Cd( L4) 2(CH 3OH) 2(ClO 4) 2] ( 4), respectively. Whereas compounds 1- 3 are 1-dimensional coordination polymers, compound 4 is a discrete molecular species.

  12. Electrolyte additive to improve performance of MCMB/LiNi 1/3Co 1/3Mn 1/3O 2 Li-ion cell

    NASA Astrophysics Data System (ADS)

    Qin, Yan; Chen, Zonghai; Lu, Wenquan; Amine, Khalil

    The electrolyte additive, 3,9-divinyl-2,4,8,10-tetraoxaspiro[5,5] undecane (TOS), was investigated as a means to improve the life of mesocarbon microbead (MCMB)/Li 1.1[Ni 1/3Co 1/3Mn 1/3] 0.9O 2 (NCM) cells for high-power applications. With the addition of an appropriate amount of TOS (no more than 1 wt%) to MCMB/NCM cells, the capacity retention was significantly improved at 55 °C compared with cells containing pristine electrolyte. Aging tests at 55 °C indicated that the capacity retention of the negative electrode had benefited as a result of the formation of a stable passivation film at the surface of the carbon electrode due to TOS reduction. Electrochemical impedance spectroscopy showed that a TOS addition of more than 0.5 wt% increased the cell interfacial impedance. Differential scanning calorimetry showed that the thermal stability of lithiated MCMB was also improved with the TOS addition.

  13. Plasma and liver proteomic analysis of 3Z-3-[(1H-pyrrol-2-yl)-methylidene]-1-(1-piperidinylmethyl)-1,3-2H-indol-2-one-induced hepatotoxicity in Wistar rats.

    PubMed

    Wang, Ying; Yang, Baohua; Wu, Chunqi; Zheng, Zhibing; Yuan, Ye; Hu, ZhongHui; Ma, HuaZhi; Li, Song; Liao, Mingyang; Wang, Quanjun

    2010-08-01

    3Z-3-[(1H-pyrrol-2-yl)-methylidene]-1-(1-piperidinylmethyl)-1,3-2H-indol-2-one (Z24), a synthetic anti-angiogenic compound, inhibits the growth and metastasis of certain tumors. Previous works have shown that Z24 induces hepatotoxicity in rodents. We examined the hepatotoxic mechanism of Z24 at the protein level and looked for potential biomarkers. We used 2-DE and MALDI-TOF/TOF MS to analyze alternatively expressed proteins in rat liver and plasma after Z24 administration. We also examined apoptosis in rat liver and measured levels of intramitochondrial ROS and NAD(P)H redox in liver cells. We found that 22 nonredundant proteins in the liver and 11 in the plasma were differentially expressed. These proteins were involved in several important metabolic pathways, including carbohydrate, lipid, amino acid, and energy metabolism, biotransformation, apoptosis, etc. Apoptosis in rat liver was confirmed with the terminal deoxynucleotidyl transferase dUTP-nick end labeling assay. In mitochondria, Z24 increased the ROS and decreased the NAD(P)H levels. Thus, inhibition of carbohydrate aerobic oxidation, fatty acid beta-oxidation, and oxidative phosphorylation is a potential mechanism of Z24-induced hepatotoxicity, resulting in mitochondrial dysfunction and apoptosis-mediated cell death. In addition, fetub protein and argininosuccinate synthase in plasma may be potential biomarkers of Z24-induced hepatotoxicity.

  14. (E)-2,2-Dimethyl-5-(3-phenyl-allyl-idene)-1,3-dioxane-4,6-dione.

    PubMed

    Zeng, Wu-Lan

    2010-01-01

    The title compound, C(15)H(14)O(4), was prepared by the reaction of 2,2-dimethyl-1,3-dioxane-4,6-dione and (Z)-3-phenyl-acryl-aldehyde in ethanol. The dioxane ring is in a sofa conformation with the C atom bonded to the two methyl groups forming the flap. With the exception of the flap atom and the methyl group C atoms, all other non-H atoms are essentially planar, with an r.m.s. deviation of 0.067 (1) Å. The crystal structure is stabilized by weak inter-molecular C-H⋯O hydrogen bonds. PMID:21589113

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

    PubMed Central

    Novikov, Mikhail S; Gorbunova, Yelizaveta G; Galenko, Ekaterina E; Mikhailov, Kirill I; Pakalnis, Viktoriia V; Avdontceva, Margarita S

    2014-01-01

    Summary 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. PMID:25246948

  16. GENOTOXICITY OF 1,3-DICHLOROPROPANE, 2,2-DICHLOROPROPANE, AND L,1-DICHLOROPROPENE IN SALMONELLA AND E. COLI PROPHAGE-INDUCTION ASSAYS

    EPA Science Inventory

    Genotoxicity of 1,3-Dichloropropane, 2,2-Dichloropropane, and 1,1-Dichloropropene in
    Salmonella and E. coli Prophage-Induction Assays

    1,3-Dichloropropane (1,3-DCP), 2,2-dichloropropane (2,2-DCP), and 1,1- dichloropropene (I,I-DCP) have been detected in ground water i...

  17. 1-(2-Naphth­yl)-3-phenyl­prop-2-en-1-one

    PubMed Central

    Tang, Si-Ping; Kuang, Dai-Zhi; Feng, Yong-Lan; Chen, Man-Sheng; Li, Wei

    2009-01-01

    The title compound, C19H14O, contains two independent mol­ecules with the same s-cis conformation for the ketone unit. Both mol­ecules are non-planar with dihedral angles of 51.9 (1) and 48.0 (1)° between the benzene ring and the naphthalene ring system. In the crystal, neighboring mol­ecules are stabilized by intermolecular C—H⋯π inter­actions, giving a two-dimensional supra­molecular array parallel to the ab plane. PMID:21583491

  18. Synthesis, spectral characterization, single crystal and conformational study of 1,5-dimethyl-2,4-diphenyl-3-azabicyclo[3.3.1]nonan-9-one derivatives

    NASA Astrophysics Data System (ADS)

    Venkateswaramoorthi, R.; John Francis Xavier, J.; Krishnasamy, K.; Saleem, H.

    2012-03-01

    1,5-Dimethyl-2,4-diphenyl-3-azabicyclo[3.3.1]nonan-9-one 1 and their derivatives 2-8 were obtained by condensation of 2,6-dimethyl cyclohexanone, Ammonium acetate and substituted aromatic aldehydes and characterized by FT-IR, FT-Raman, 1H NMR, 13C NMR, GC-MS, HOMOCOSY, HSQC, NOESY, single crystal X-ray diffraction analysis and theoretical DFT calculation. Compound 1 crystallized in the Triclinic system, space group P-1 with a = 6.8950(5) Ǻ, b = 11.5889(9) Ǻ, c = 11.9172(9) Ǻ, α = 76.277(4)°, β = 78.000(3)°, γ = 72.920(4)°, V = 874.41(12) Ǻ3 and Z = 2. 1,5-Dimethyl-2,4-diphenyl-3-azabicyclo[3.3.1]nonan-9-one 1 and their derivatives 2-8 were exist in boat-chair conformation with equatorial orientation of all the substituents at piperidine ring (two phenyl rings at C-2 and C-4 position, two methyl substituents at C-1 and C-5 position) of compound 1. In the crystal structure of compound 1, the molecules are connected by Nsbnd H⋯Odbnd C intermolecular hydrogen bonds. The existence of boat-chair conformation was confirmed by single crystal X-ray diffraction analysis and theoretical DFT calculation.

  19. Chronic noradrenaline increases renal expression of NHE-3, NBC-1, BSC-1 and aquaporin-2.

    PubMed

    Sonalker, Prajakta A; Tofovic, Stevan P; Bastacky, Sheldon I; Jackson, Edwin K

    2008-05-01

    1. Because chronic activation of the renal sympathetic nervous system promotes sodium and water retention, it is conceivable that long-term exposure of the kidney to the sympathetic neurotransmitter noradrenaline upregulates the expression of key renal epithelial transport systems. 2. To test this hypothesis, we used immunoblotting of renal cortical and medullary tissue to investigate the abundance of major transport systems expressed along the renal tubule in response to long-term (15 days) infusions of noradrenaline (600 ng/min) in rats. 3. Mean arterial blood pressure and heart rate were significantly elevated in rats receiving chronic infusions of noradrenaline (128 +/- 10 mmHg and 492 +/- 16 b.p.m., respectively) compared with animals treated with saline only (89 +/- 3 mmHg and 376 +/- 14 b.p.m., respectively). 4. Chronic infusions of noradrenaline also increased the protein abundance of the cortical Na(+)/H(+) exchanger isoform 3 (NHE-3; 2.5-fold; P = 0.0142), the cortical sodium-bicarbonate cotransporter NBC-1 (2.5-fold; P = 0.0067), the bumetanide-sensitive sodium-potassium-chloride cotransporter BSC-1/NKCC2 in the inner stripe of outer medulla (threefold; P = 0.0020) and aquaporin-2 in the inner medulla (twofold; P = 0.0039). 5. In contrast, noradrenaline did not significantly affect expression of the thiazide-sensitive Na(+)-Cl(-) cotransporter in the cortex, Na(+)/K(+)-ATPase-alpha(1) in the cortex and inner stripe of the outer or inner medulla, the inwardly rectifying K(+) channel (ROMK-1) in the inner stripe of the outer medulla or aquaporin-1 in the cortex or inner medulla. Noradrenaline did significantly, but modestly (less than twofold), increase aquaporin-1 in the inner stripe of the outer medulla. 6. We conclude that noradrenaline-induced increases in the expression of NHE-3, NBC-1, BSC-1 and aquaporin-2 are likely to play an important role in the regulation of salt and water transport by noradrenaline in the kidney and may explain, at least in

  20. Super-high photocatalytic activity of Fe2O3 nanoparticles anchored on Bi2O2CO3 nanosheets with exposed {0 0 1} active facets

    NASA Astrophysics Data System (ADS)

    Hu, Dandan; Zhang, Kaiyou; Yang, Qi; Wang, Mingjun; Xi, Yi; Hu, Chenguo

    2014-10-01

    Structure engineering enables us to design novel photocatalysts with high efficiency and stability. Here visible light absorbing Fe2O3 semiconductor is chosen as sensitizer to modify wide band-gap Bi2O2CO3 semiconductor in order to enhance its photocatalytic properties by shifting the UV-driven catalytic activity to visible-light-driven catalytic activity. The Bi2O2CO3@Fe2O3 nanosheets with exposed active {0 0 1} facet were fabricated by a facile one-step modified hydrothermal method. The thermal stability, crystal structure, morphology and optical band gap were characterized. The photocatalytic activities of the Bi2O2CO3 and Bi2O2CO3@Fe2O3 with different molar ratio of Fe2O3 to Bi2O2CO3 were compared. It was found that the Bi2O2CO3@Fe2O3 catalyst can degrade rhodamine-B within 25 min under the simulated sunlight, displaying greatly enhanced photocatalytic activity with respect to the Bi2O2CO3 catalyst. The photocatalyst showed good photostability and recyclability. A mixture of multi-colored dyes including rhodamine-B, methylene blue and methyl orange can be completely degraded by the Bi2O2CO3@Fe2O3 catalyst (5 mol% Fe2O3) within 45 min under the simulated sunlight irradiation. The photocatalytic mechanism was discussed in detail.

  1. Simultaneous spectrophotometric determination of Cu2+, Hg2+, and Cd2+ ions using 2-(3-hydroxy-1-methylbut-2-enylideneamino)pyridine-3-ol.

    PubMed

    Tarighat, Maryam Abbasi; Mohammadi, Khosro

    2015-04-01

    New complexes of Cu2+, Hg2+, and Cd2+ with a recently synthesized Schiff base derived from 2-(3-hydroxy-1-methylbut-2-enylideneamino)pyridine-3-ol were applied for their simultaneous determination with artificial neural networks. A new analytical method using principal component-feed forward neural networks (PC-FFNNs) and principal component-radial basis function networks (PC-RBFNs) was used. Spectral data was reduced using principal component analysis and subjected to ANNs. The data obtained from synthetic mixtures of metal ions were processed by PC-FFNNs and PC-RBFNs. Performances of the proposed methods were tested with regard to relative standard error of prediction. Limit of detections and limit of quantifications were determined. The results obtained by PC-FFNNs and PC-RBFNs were compared to each other. Under the working conditions, the proposed methods were successfully applied to simultaneous determination of Hg2+, Cu2+, and Cd2+ in different water and soil samples. Concentrations of metal ions in the samples were also determined by flame atomic absorption spectrometry (FAAS) and standard addition method. The amounts of metal ions obtained by the proposed methods were in good agreement with those obtained by FAAS and standard addition method. PMID:25792026

  2. Simultaneous spectrophotometric determination of Cu2+, Hg2+, and Cd2+ ions using 2-(3-hydroxy-1-methylbut-2-enylideneamino)pyridine-3-ol.

    PubMed

    Tarighat, Maryam Abbasi; Mohammadi, Khosro

    2015-04-01

    New complexes of Cu2+, Hg2+, and Cd2+ with a recently synthesized Schiff base derived from 2-(3-hydroxy-1-methylbut-2-enylideneamino)pyridine-3-ol were applied for their simultaneous determination with artificial neural networks. A new analytical method using principal component-feed forward neural networks (PC-FFNNs) and principal component-radial basis function networks (PC-RBFNs) was used. Spectral data was reduced using principal component analysis and subjected to ANNs. The data obtained from synthetic mixtures of metal ions were processed by PC-FFNNs and PC-RBFNs. Performances of the proposed methods were tested with regard to relative standard error of prediction. Limit of detections and limit of quantifications were determined. The results obtained by PC-FFNNs and PC-RBFNs were compared to each other. Under the working conditions, the proposed methods were successfully applied to simultaneous determination of Hg2+, Cu2+, and Cd2+ in different water and soil samples. Concentrations of metal ions in the samples were also determined by flame atomic absorption spectrometry (FAAS) and standard addition method. The amounts of metal ions obtained by the proposed methods were in good agreement with those obtained by FAAS and standard addition method.

  3. Magnetic Properties of Restacked 2D Spin 1/2 honeycomb RuCl3 Nanosheets.

    PubMed

    Weber, Daniel; Schoop, Leslie M; Duppel, Viola; Lippmann, Judith M; Nuss, Jürgen; Lotsch, Bettina V

    2016-06-01

    Spin 1/2 honeycomb materials have gained substantial interest due to their exotic magnetism and possible application in quantum computing. However, in all current materials out-of-plane interactions are interfering with the in-plane order, hence a true 2D magnetic honeycomb system is still in demand. Here, we report the exfoliation of the magnetic semiconductor α-RuCl3 into the first halide monolayers and the magnetic characterization of the spin 1/2 honeycomb arrangement of turbostratically stacked RuCl3 monolayers. The exfoliation is based on a reductive lithiation/hydration approach, which gives rise to a loss of cooperative magnetism due to the disruption of the spin 1/2 state by electron injection into the layers. The restacked, macroscopic pellets of RuCl3 layers lack symmetry along the stacking direction. After an oxidative treatment, cooperative magnetism similar to the bulk is restored. The oxidized pellets of restacked single layers feature a magnetic transition at TN = 7 K if the field is aligned parallel to the ab-plane, while the magnetic properties differ from bulk α-RuCl3 if the field is aligned perpendicular to the ab-plane. The deliberate introduction of turbostratic disorder to manipulate the magnetic properties of RuCl3 is of interest for research in frustrated magnetism and complex magnetic order as predicted by the Kitaev-Heisenberg model. PMID:27176463

  4. Magnetic Properties of Restacked 2D Spin 1/2 honeycomb RuCl3 Nanosheets.

    PubMed

    Weber, Daniel; Schoop, Leslie M; Duppel, Viola; Lippmann, Judith M; Nuss, Jürgen; Lotsch, Bettina V

    2016-06-01

    Spin 1/2 honeycomb materials have gained substantial interest due to their exotic magnetism and possible application in quantum computing. However, in all current materials out-of-plane interactions are interfering with the in-plane order, hence a true 2D magnetic honeycomb system is still in demand. Here, we report the exfoliation of the magnetic semiconductor α-RuCl3 into the first halide monolayers and the magnetic characterization of the spin 1/2 honeycomb arrangement of turbostratically stacked RuCl3 monolayers. The exfoliation is based on a reductive lithiation/hydration approach, which gives rise to a loss of cooperative magnetism due to the disruption of the spin 1/2 state by electron injection into the layers. The restacked, macroscopic pellets of RuCl3 layers lack symmetry along the stacking direction. After an oxidative treatment, cooperative magnetism similar to the bulk is restored. The oxidized pellets of restacked single layers feature a magnetic transition at TN = 7 K if the field is aligned parallel to the ab-plane, while the magnetic properties differ from bulk α-RuCl3 if the field is aligned perpendicular to the ab-plane. The deliberate introduction of turbostratic disorder to manipulate the magnetic properties of RuCl3 is of interest for research in frustrated magnetism and complex magnetic order as predicted by the Kitaev-Heisenberg model.

  5. Magnetic Properties of Restacked 2D Spin 1/2 honeycomb RuCl3Nanosheets

    NASA Astrophysics Data System (ADS)

    Weber, Daniel; Schoop, Leslie M.; Duppel, Viola; Lippmann, Judith M.; Nuss, Jürgen; Lotsch, Bettina V.

    2016-06-01

    Spin $\\frac{1}{2}$ honeycomb materials have gained substantial interest due to their exotic magnetism and possible application in quantum computing. However, in all current materials out-of-plane interactions are interfering with the in-plane order, hence a true 2D magnetic honeycomb system is still of demand. Here, we report the exfoliation of the magnetic semiconductor $\\alpha$-RuCl$_3$ into the first halide monolayers and the magnetic characterization of the spin $\\frac{1}{2}$ honeycomb arrangement of turbostratically stacked RuCl$_3$ monolayers. The exfoliation is based on a reductive lithiation/hydration approach, which gives rise to a loss of cooperative magnetism due to the disruption of the spin $\\frac{1}{2}$ state by electron injection into the layers. After an oxidative treatment, cooperative magnetism similar to the bulk is restored. The oxidized pellets of restacked single layers feature a magnetic transition at T$_N$ = 7 K in the in-plane direction, while the magnetic properties in the out-of-plane direction vastly differ from bulk $\\alpha$-RuCl$_3$. The macroscopic pellets of RuCl$_3$ therefore behave like a stack of monolayers without any symmetry relation in the stacking direction. The deliberate introduction of turbostratic disorder to manipulate the spin structure of RuCl$_3$ is of interest for research in frustrated magnetism and complex magnetic order as predicted by the Kitaev-Heisenberg model.

  6. Changes in refraction between the ages of 1 and 3 1/2 years.

    PubMed Central

    Ingram, R M; Barr, A

    1979-01-01

    A study has been made of the changes in refraction as a sample of 148 children grew between the ages of 1 and 3 1/2 years. There was no decrease in hypermetropia, but there was a significant decrease in the incidence of astigmatism. Study of the changes in the refraction in the horizontal and vertical meridia of individual eyes gave clear evidence of a trend towards emmetropia if the initial refraction in either meridian was myopic or less than +2.50 D. Above that level the refraction became more or less hypermetropic. PMID:465408

  7. 3D-CDTI User Manual v2.1

    NASA Technical Reports Server (NTRS)

    Johnson, Walter; Battiste, Vernol

    2016-01-01

    The 3D-Cockpit Display of Traffic Information (3D-CDTI) is a flight deck tool that presents aircrew with: proximal traffic aircraft location, their current status and flight plan data; strategic conflict detection and alerting; automated conflict resolution strategies; the facility to graphically plan manual route changes; time-based, in-trail spacing on approach. The CDTI is manipulated via a touchpad on the flight deck, and by mouse when presented as part of a desktop flight simulator.

  8. Effects of 5-Amyno-4-(1,3-benzothyazol-2-yn)-1-(3-methoxyphenyl)-1,2-dihydro-3H-pyrrol-3-one Intake on Digestive System in a Rat Model of Colon Cancer

    PubMed Central

    Kuznietsova, Halyna M.; Luzhenetska, Valentyna K.; Kotlyar, Iryna P.; Rybalchenko, Volodymyr K.

    2015-01-01

    Introduction. Pyrrol derivate 5-amyno-4-(1,3-benzothyazol-2-yn)-1-(3-methoxyphenyl)-1,2-dihydro-3H-pyrrol-3-one (D1) has shown antiproliferative activities in vitro, so investigation of the impact of D1 intake on gut organs in rats that experienced colon cancer seems to be necessary. Materials and Methods. D1 at the dose of 2.3 mg/kg was administered per os daily for 27 (from the 1st day of experiment) or 7 (from the 21st week of experiment) weeks to rats that experienced 1,2-dimethylhydrazine (DMH)-induced colon cancer for 20 weeks. 5-Fluorouracil (5FU) was chosen as reference drug and was administered intraperitoneally weekly for 7 weeks (from the 21st week of experiment) at the dose of 45 mg/kg. Results. Antitumor activity of D1 comparable with the 5FU one against DMH-induced colon cancer in rats was observed (decrease of tumor number and tumor total area up to 46%). D1 attenuated the inflammation of colon, gastric and jejunal mucosa, and the liver, caused by DMH, unlike 5FU, aggravating the latter. In addition, D1 partially normalized mucosa morphometric parameters suggesting its functional restore. Conclusions. D1 possesses, comparable with 5-fluorouracil antitumor efficacy, less damaging effects on the tissues beyond cancerous areas and contributes to partial morphological and functional gut organs recovery. PMID:26504896

  9. 5-(Adamantan-1-yl)-3-[(4-benzyl­piperazin-1-yl)meth­yl]-1,3,4-oxadiazole-2(3H)-thione

    PubMed Central

    El-Emam, Ali A.; El-Brollosy, Nasser R.; Attia, Mohamed I.; Said-Abdelbaky, Mohammed; García-Granda, Santiago

    2012-01-01

    The mol­ecule of the title compound, C24H32N4OS, is a functionalized 1,3,4-oxadiazole-2-thione with substituted piperazine and adamantanyl substituents attached at the 3- and 5-positions, respectively, of the oxadiazole spacer with an approximately C-shaped conformation. In the crystal, mol­ecules form dimers via C—H⋯S inter­action. The piperazine ring has a chair conformation; the substituents S, methyl­ene C and adamantane C of the essentially planar oxadiazole ring are approximately in the same plane, with distances of −0.046 (2), −0.085 (5) and 0.003 (4) Å, respectively. The dihedral angle between the planes of the phenyl and oxadiazole rings is 31.3 (3)°. PMID:22798843

  10. The galaxy cluster mid-infrared luminosity function at 1.3 < z < 3.2

    SciTech Connect

    Wylezalek, Dominika; Vernet, Joël; De Breuck, Carlos; Stern, Daniel; Brodwin, Mark; Galametz, Audrey; Gonzalez, Anthony H.; Jarvis, Matt; Hatch, Nina; Seymour, Nick; Stanford, Spencer A.

    2014-05-01

    We present 4.5 μm luminosity functions for galaxies identified in 178 candidate galaxy clusters at 1.3 < z < 3.2. The clusters were identified as Spitzer/Infrared Array Camera (IRAC) color-selected overdensities in the Clusters Around Radio-Loud AGN project, which imaged 420 powerful radio-loud active galactic nuclei (RLAGNs) at z > 1.3. The luminosity functions are derived for different redshift and richness bins, and the IRAC imaging reaches depths of m* + 2, allowing us to measure the faint end slopes of the luminosity functions. We find that α = –1 describes the luminosity function very well in all redshift bins and does not evolve significantly. This provides evidence that the rate at which the low mass galaxy population grows through star formation gets quenched and is replenished by in-falling field galaxies does not have a major net effect on the shape of the luminosity function. Our measurements for m* are consistent with passive evolution models and high formation redshifts (z{sub f} ∼ 3). We find a slight trend toward fainter m* for the richest clusters, implying that the most massive clusters in our sample could contain older stellar populations, yet another example of cosmic downsizing. Modeling shows that a contribution of a star-forming population of up to 40% cannot be ruled out. This value, found from our targeted survey, is significantly lower than the values found for slightly lower redshift, z ∼ 1, clusters found in wide-field surveys. The results are consistent with cosmic downsizing, as the clusters studied here were all found in the vicinity of RLAGNs—which have proven to be preferentially located in massive dark matter halos in the richest environments at high redshift—and they may therefore be older and more evolved systems than the general protocluster population.

  11. Measurement of the 2 sup 2 S sub 1/2 -2 sup 2 P sub 3/2 fine structure interval in muonium

    SciTech Connect

    Kettell, S.H.

    1990-08-01

    The (2{sup 2}S{sub 1/2} {minus} 2{sup 2}P{sub 3/2}) fine structure transition in muonium has been observed for the first time. The measured value is 9895 {sub {minus}30}{sup {plus}35}MHz. This measurement, when included with the theoretical value for the 2{sup 2}P{sub 1/2} {minus} 2{sup 2}P{sub 3/2} fine structure interval, gives a value for the Lamb shift (2{sup 2}S{sub 1/2} {minus} 2{sup 2}P{sub 1/2}) independent of previous direct measurements. From the theoretical value for the fine structure interval, 10921.833(3) MHz, the value for the Lamb shift determined from this experiment is 1027{sub {minus}35}{sup {plus}30} MHz and is in agreement with the prediction of quantum electrodynamics (QED) of 1047.5(3) MHz. Previous experimental values for the Lamb shift (2{sup 2}S{sub 1/2} {minus}2{sup 2}P{sub 1/2}) in muonium are 1070{sub {minus}15}{sup {plus} 12} MHz and 1042{sub {minus}23}{sup {plus}21} MHz. Combining this result with these previous results gives a new experimental value of 1058{sub {minus}12}{sup {plus}10} for the Lamb shift in muonium. Muonium, the bound state of two structureless leptons ({mu}{sup +}e{sup {minus}}), is an ideal system for testing bound state QED because of the lack of hadronic structure as exists in the hydrogen system. The measurement makes use of the techniques of atomic beam microwave spectroscopy. Muonium atoms ({mu}{sup +}e{sup {minus}}) in the 2S states are produced by the beam-foil technique at the Clinton P. Anderson Meson Physics Facility with a low momentum, sub-surface muon beam. A variable frequency microwave field is applied to drive the atoms from the 2S to the 2P states, with the subsequent observation of the Lyman alpha photon from the decay of the 2P state to the 1S ground state. The frequency is varied from 9.0--11.0 GHz, driving the F = 0 {yields} F = 1, F = 1, F = 1 and F = 1 {yields} F = 2 transitions.

  12. Infection with human retroviruses other than HIV-1: HIV-2, HTLV-1, HTLV-2, HTLV-3 and HTLV-4.

    PubMed

    Nicolás, David; Ambrosioni, Juan; Paredes, Roger; Marcos, M Ángeles; Manzardo, Christian; Moreno, Asunción; Miró, José M

    2015-08-01

    HIV-1 is the most prevalent retrovirus, with over 30 million people infected worldwide. Nevertheless, infection caused by other human retroviruses like HIV-2, HTLV-1, HTLV-2, HTLV-3 and HTLV-4 is gaining importance. Initially confined to specific geographical areas, HIV-2, HTLV-1 and HTLV-2 are becoming a major concern in non-endemic countries due to international migration flows. Clinical manifestations of retroviruses range from asymptomatic carriers to life-threatening conditions, such as AIDS in HIV-2 infection or adult T-cell lymphoma/leukemia or tropical spastic paraparesis in HTLV-1 infection. HIV-2 is naturally resistant to some antiretrovirals frequently used to treat HIV-1 infection, but it does have effective antiretroviral therapy options. Unfortunately, HTLV still has limited therapeutic options. In this article, we will review the epidemiological, clinical, diagnostic, pathogenic and therapeutic aspects of infections caused by these human retroviruses.

  13. Ccl2, Cx3cr1 and Ccl2/Cx3cr1 chemokine deficiencies are not sufficient to cause age-related retinal degeneration.

    PubMed

    Luhmann, Ulrich F O; Carvalho, Livia S; Robbie, Scott J; Cowing, Jill A; Duran, Yanai; Munro, Peter M G; Bainbridge, James W B; Ali, Robin R

    2013-02-01

    Monocytes, macrophages, dendritic cells and microglia play critical roles in the local immune response to acute and chronic tissue injury and have been implicated in the pathogenesis of age-related macular degeneration. Defects in Ccl2-Ccr2 and Cx3cl1-Cx3cr1 chemokine signalling cause enhanced accumulation of bloated subretinal microglia/macrophages in senescent mice and this phenomenon is reported to result in the acceleration of age-related retinal degeneration. The purpose of this study was to determine whether defects in CCL2-CCR2 and CX3CL1-CX3CR1 signalling pathways, alone or in combination, cause age-dependent retinal degeneration. We tested whether three chemokine knockout mouse lines, Ccl2(-/-), Cx3cr1(-/-) and Ccl2(-/-)/Cx3cr1(-/-), in comparison to age-matched C57Bl/6 control mice show differences in subretinal macrophage accumulation and loss of adjacent photoreceptor cells at 12-14 months of age. All mouse lines are derived from common parental strains and do not carry the homozygous rd8 mutation in the Crb1 gene that has been a major confounding factor in previous reports. We quantified subretinal macrophages by counting autofluorescent lesions in fundus images obtained by scanning laser ophthalmoscopy (AF-SLO) and by immunohistochemistry for Iba1 positive cells. The accumulation of subretinal macrophages was enhanced in Ccl2(-/-), but not in Cx3cr1(-/-) or Ccl2(-/-)/Cx3cr1(-/-) mice. We identified no evidence of retinal degeneration in any of these mouse lines by TUNEL staining or semithin histology. In conclusion, CCL2-CCR2 and/or CX3CL1-CX3CR1 signalling defects may differentially affect the trafficking of microglia and macrophages in the retina during ageing, but do not appear to cause age-related retinal degeneration in mice.

  14. Fragrance material review on 2-hydroxy-3,4-dimethyl-2-cyclopenten-1-one.

    PubMed

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

    2012-10-01

    A toxicologic and dermatologic review of 2-hydroxy-3,4-dimethyl-2-cyclopenten-1-one when used as a fragrance ingredient is presented. 2-Hydroxy-3,4-dimethyl-2-cyclopenten-1-one is a member of the fragrance structural group Ketones Cyclopentanones and Cyclopentenones. The common characteristic structural element of the group members is a cyclopentanone or cyclopentenone ring with a straight or branched chain alkane or alkene substituent. This review contains a detailed summary of all available toxicology and dermatology papers that are related to this individual fragrance ingredient and is not intended as a stand-alone document. Available data for 2-hydroxy-3,4-dimethyl-2-cyclopenten-1-one were evaluated, then summarized and includes physical properties data. A safety assessment of the entire Ketones Cyclopentanones and Cyclopentenones will be published simultaneously with this document; please refer to Belsito et al. (2012) for an overall assessment of the safe use of this material and all Ketones Cyclopentanones and Cyclopentenones in fragrances.

  15. Fragrance material review on 3-methyl-2-(pentyloxy)-2-cyclopenten-1-one.

    PubMed

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

    2012-10-01

    A toxicologic and dermatologic review of 3-methyl-2-(pentyloxy)-2-cyclopenten-1-one when used as a fragrance ingredient is presented. 3-Methyl-2-(pentyloxy)-2-cyclopenten-1-one is a member of the fragrance structural group ketones cyclopentanones and cyclopentenones. The common characteristic structural element of the group members is a cyclopentanone or cyclopentenone ring with a straight or branched chain alkane or alkene substituent. This review contains a detailed summary of all available toxicology and dermatology papers that are related to this individual fragrance ingredient and is not intended as a stand-alone document. Available data for 3-methyl-2-(pentyloxy)-2-cyclopenten-1-one were evaluated then summarized and includes physical properties, acute toxicity, skin irritation, mucous membrane (eye) irritation, skin sensitization, phototoxicity, and photoallergy data. A safety assessment of the entire ketones cyclopentanones and cyclopentenones will be published simultaneously with this document; please refer to Belsito et al. (2012) for an overall assessment of the safe use of this material and all ketones cyclopentanones and cyclopentenones in fragrances.

  16. Fragrance material review on 3-ethyl-2-hydroxy-2-cyclopenten-1-one.

    PubMed

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

    2012-10-01

    A toxicologic and dermatologic review of 3-ethyl-2-hydroxy-2-cyclopenten-1-one when used as a fragrance ingredient is presented. 3-Ethyl-2-hydroxy-2-cyclopenten-1-one is a member of the fragrance structural group ketones cyclopentanones and cyclopentenones. The common characteristic structural element of the group members is a cyclopentanone or cyclopentenone ring with a straight or branched chain alkane or alkene substituent. This review contains a detailed summary of all available toxicology and dermatology papers that are related to this individual fragrance ingredient and is not intended as a stand-alone document. Available data for 3-ethyl-2-hydroxy-2-cyclopenten-1-one were evaluated then summarized and includes physical properties, skin irritation, skin sensitization, and genotoxicity data. A safety assessment of the entire ketones cyclopentanones and cyclopentenones will be published simultaneously with this document; please refer to Belsito et al. (2012) for an overall assessment of the safe use of this material and all ketones cyclopentanones and cyclopentenones in fragrances.

  17. Fragrance material review on 3-methyl-2-(n-pentanyl)-2-cyclopenten-1-one.

    PubMed

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

    2012-10-01

    A toxicologic and dermatologic review of 3-methyl-2-(n-pentanyl)-2-cyclopenten-1-one when used as a fragrance ingredient is presented. 3-methyl-2-(n-pentanyl)-2-cyclopenten-1-one is a member of the fragrance structural group ketones cyclopentanones and cyclopentenones. The common characteristic structural element of the group members is a cyclopentanone or cyclopentenone ring with a straight or branched chain alkane or alkene substituent. This review contains a detailed summary of all available toxicology and dermatology papers that are related to this individual fragrance ingredient and is not intended as a stand-alone document. Available data for 3-methyl-2-(n-pentanyl)-2-cyclopenten-1-one were evaluated then summarized and includes physical properties, acute toxicity, skin irritation, mucous membrane (eye) irritation, and skin sensitization data. A safety assessment of the entire ketones cyclopentanones and cyclopentenones will be published simultaneously with this document; please refer to Belsito et al. (2012) for an overall assessment of the safe use of this material and all ketones cyclopentanones and cyclopentenones in fragrances.

  18. 40 CFR 721.10074 - Acetic acid, 2-chloro-, 1-(3,3-dimethylcyclohexyl)ethyl ester.

    Code of Federal Regulations, 2010 CFR

    2010-07-01

    ... 40 Protection of Environment 30 2010-07-01 2010-07-01 false Acetic acid, 2-chloro-, 1-(3,3... Specific Chemical Substances § 721.10074 Acetic acid, 2-chloro-, 1-(3,3-dimethylcyclohexyl)ethyl ester. (a... acetic acid, 2-chloro-, 1-(3,3-dimethylcyclohexyl)ethyl ester (PMN P-05-568; CAS No. 477218-59-0)...

  19. Double freezing of dielectric response in relaxor Pb(Mg1/3Nb2/3)O3 crystals

    NASA Astrophysics Data System (ADS)

    Bokov, A. A.; Ye, Z.-G.

    2006-10-01

    The slowing down of dipole dynamics upon cooling into nonergodic relaxor phase in classical relaxor Pb(Mg1/3Nb2/3)O3 crystal is studied using dielectric spectroscopy in the range of 10-4 105Hz . We discover that two overlapping relaxation processes obeying the Kohlrausch-Williams-Watts law, exp[-(t/τ)β] , and the Curie-von Schweidler law, t-n , respectively, tend to freeze out at the same temperature Tf(=213K) . The values of τ-1 , β , and n obey the Vogel-Fulcher law tending to zero at Tf .

  20. NTS-2 battery after 1 year and 3 eclipse seasons

    NASA Technical Reports Server (NTRS)

    Stockel, J.

    1978-01-01

    The performance of the nickel hydrogen batteries on board the NTS-2 satellite was determined after being in orbit for several months. The effects of the eclipses were presented as well as the power loading operations.

  1. (2,2-Bipyridyl)bis(eta5-1,2,3,4,5-pentamethylcyclopentadienyl)Strontium(II)

    SciTech Connect

    Kazhdan, Daniel; Kazhdan, Daniel; Hu, Yung-Jin; Kokai, Akos; Levi, Zerubba; Rozenel, Sergio

    2008-07-03

    In the title compound, the Sr-N distances are 2.624 (3) and 2.676 (3) Angstroms. The Sr-centroid distances are 2.571 and 2.561 Angstroms. The N-C-C-N torsion angle in the bipyridine ligand is 2.2 (4){sup o}. Interestingly, the bipyridine ligand is tilted. The angle between the plane defined by Sr1, N1 and N2 and the plane defined by the 12 atoms of the bipyridine ligand is 10.7{sup o}.

  2. Fragrance material review on 1-(1,2,3,4,5,6,7,8-octahydro-2,3,8,8-tetramethyl-2-naphthalenyl)ethanone (OTNE).

    PubMed

    Scognamiglio, J; Letizia, C S; Politano, V T; Api, A M

    2013-12-01

    A toxicologic and dermatologic review of 1-(1,2,3,4,5,6,7,8-octahydro-2,3,8,8-tetramethyl-2-naphthalenyl)ethanone (OTNE) when used as a fragrance ingredient is presented. OTNE is a member of the fragrance structural group Alkyl Cyclic Ketones. These fragrances can be described as being composed of an alkyl, R1, and various substituted and bicyclic saturated or unsaturated cyclic hydrocarbons, R2, in which one of the rings may include up to 12 carbons. Alternatively, R2 may be a carbon bridge of C2-C4 carbon chain length between the ketone and cyclic hydrocarbon. This review contains a detailed summary of all available toxicology and dermatology papers that are related to this individual fragrance ingredient and is not intended as a stand-alone document. Available data for OTNE were evaluated then summarized and includes physical properties, acute toxicity, skin irritation, mucous membrane (eye) irritation, skin sensitization, elicitation, phototoxicity, photoallergy, toxicokinetics, repeated dose, reproductive toxicity, and genotoxicity data. A safety assessment of the entire Alkyl Cyclic Ketones will be published simultaneously with this document; please refer to Belsito et al. (2013) for an overall assessment of the safe use of this material and all Alkyl Cyclic Ketones in fragrances.

  3. Optimization of a Novel Binding Motif to (E)-3-(3,5-Difluoro-4-((1R,3R)-2-(2-fluoro-2-methylpropyl)-3-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)phenyl)acrylic Acid (AZD9496), a Potent and Orally Bioavailable Selective Estrogen Receptor Downregulator and Antagonist.

    PubMed

    De Savi, Chris; Bradbury, Robert H; Rabow, Alfred A; Norman, Richard A; de Almeida, Camila; Andrews, David M; Ballard, Peter; Buttar, David; Callis, Rowena J; Currie, Gordon S; Curwen, Jon O; Davies, Chris D; Donald, Craig S; Feron, Lyman J L; Gingell, Helen; Glossop, Steven C; Hayter, Barry R; Hussain, Syeed; Karoutchi, Galith; Lamont, Scott G; MacFaul, Philip; Moss, Thomas A; Pearson, Stuart E; Tonge, Michael; Walker, Graeme E; Weir, Hazel M; Wilson, Zena

    2015-10-22

    The discovery of an orally bioavailable selective estrogen receptor downregulator (SERD) with equivalent potency and preclinical pharmacology to the intramuscular SERD fulvestrant is described. A directed screen identified the 1-aryl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole motif as a novel, druglike ER ligand. Aided by crystal structures of novel ligands bound to an ER construct, medicinal chemistry iterations led to (E)-3-(3,5-difluoro-4-((1R,3R)-2-(2-fluoro-2-methylpropyl)-3-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)phenyl)acrylic acid (30b, AZD9496), a clinical candidate with high oral bioavailability across preclinical species that is currently being evaluated in phase I clinical trials for the treatment of advanced estrogen receptor (ER) positive breast cancer.

  4. GENOTOXICITY OF 1,3-DICHLOROPROPANE, 2,2-DICHLOROPROPANE, AND 1,1-DICHLOROPROPENE IN SALMONELLA, THE E. COLI PROPHAGE-INDUCTION ASSAY, AND HUMAN HEPH2 CELLS

    EPA Science Inventory

    Genotoxicity of 1,3-Dichloropropane, 2,2-Dichloropropane, and 1,1-Dichloropropene in Salmonella, the E. coli Prophage-Induction Assay and Human HepG2 Cells

    1,3-Dichloropropane (1,3-DCP), 2,2-dichloropropane (2,2-DCP), and 1,1- dichloropropene ( 1,1- DCP) have been detecte...

  5. Formation of [Ni(III)(κ(1)-S2CH)(P(o-C6H3-3-SiMe3-2-S)3)]- via CS2 insertion into nickel(III) hydride containing [Ni(III)(H)(P(o-C6H3-3-SiMe3-2-S)3)]-.

    PubMed

    Lai, Kuan-Ting; Ho, Wei-Chieh; Chiou, Tzung-Wen; Liaw, Wen-Feng

    2013-04-15

    Insertion of CS2 into the thermally unstable nickel(III) hydride [PPN][Ni(H)(P(o-C6H3-3-SiMe3-2-S)3)] (1), freshly prepared from the reaction of [PPN][Ni(OC6H5)P(C6H3-3-SiMe3-2-S)3] and 4,4,5,5-tetramethyl-1,3,2-dioxaborolane (HBpin; pin = OCMe2CMe2O) in tetrahydrofuran at -80 °C via a metathesis reaction, readily affords [PPN][Ni(III)(κ(1)-S2CH)(P(o-C6H3-3-SiMe3-2-S)3)] (2) featuring a κ(1)-S2CH moiety. PMID:23541028

  6. Structural characterization of the model amphipathic peptide Ac-LKKLLKLLKKLLKL-NH2 in aqueous solution and with 2,2,2-trifluoroethanol and 1,1,1,3,3,3-hexafluoroisopropanol

    SciTech Connect

    Buchko, Garry W.; Jain, Avijita; Reback, Matthew L.; Shaw, Wendy J.

    2013-06-03

    Short-chain amphiphilic peptides are promising components in the new generation of engineered biomaterials with many potential applications. The 14-residue leucine-lysine peptide Ac-LKKLLKLLKKLLKL-NH2 (LKα) is one such amphiphilic peptide. The periodic distribution of hydrophobic and hydrophilic amino acid residues in the sequence of LKα has been shown to promote α-helix formation in an ionic environment and at high peptide concentrations (> ~0.5 mM, no salt). Here, circular dichroism (CD) and nuclear magnetic resonance (NMR) spectroscopy is used to demonstrate that LKα, in the absence of salt and at concentrations < 0.5 mM, readily adopts a helical structure in the presence of the structure stabilizing agents 2,2,2-trifluoroethanol (TFE) and 1,1,1,3,3,3-hexafluoroisopropanol (HFIP). Maximal helical character, as monitored by negative bands with double minima at 222 and 208-210 nm in the CD spectrum, was observed in 20% TFE and 10% HFIP (volume percent). The helical character suggested by the CD data was corroborated with amide to alpha proton, long range, 1HN(i) to 1Hα(i-3) NOEs characteristic of an α-helical structure. In unbuffered water in the absence of a flouronated alcohol and at low peptide concentrations, LKα was essentially unstructured in solution. These observations confirm that LKα has a predisposition to adopt a helical structure that may be maximized with minimal amounts of fluorinated alcohol. This characterization of the structural and physical properties of LKα will assist the design of future biomaterials containing amphiphilic peptides.

  7. 3-Methyl-1,2,3,4,5,6,1′,2′,3′,4′-deca­hydro­spiro­[benz[f]isoquinoline-1,2′-naphthalen]-1′-one

    PubMed Central

    Siaka, Sohro; Soldatenkov, Anatoly T.; Malkova, Anastasia V.; Sorokina, Elena A.; Khrustalev, Victor N.

    2012-01-01

    The title compound, C23H23NO, is the product of a tandem transformation of the double Mannich base bis­(1-oxo-1,2,3,4-tertrahydro-2-naphtho­ylmeth­yl)amine hydro­chloride in HBr solution upon heating. The tetra­hydro­pyridine ring has a non-symmetrical half-chair conformation, whereas the cyclo­hexa­diene and cyclo­hexene rings adopt non-symmetrical half-boat conformations. The dihedral angle between the planes of the terminal benzene rings is 62.85 (6)°. The N atom has a trigonal–pyramidal geometry [sum of the bond angles = 332.4 (3)°]. In the crystal, mol­ecules form [001] chains via weak non-classical C—H⋯N hydrogen bonds. The chains are stacked along the b axis. PMID:23284532

  8. 40 CFR 721.7700 - Poly(oxy-1,2-ethanediyl), α-hydro-ω-(oxiranylmethoxy)-, ether with 2-ethyl-2-(hydroxymethyl)-1,3...

    Code of Federal Regulations, 2011 CFR

    2011-07-01

    ... 40 Protection of Environment 31 2011-07-01 2011-07-01 false Poly(oxy-1,2-ethanediyl), α-hydro-Ï... Poly(oxy-1,2-ethanediyl), α-hydro-ω-(oxiranylmethoxy)-, ether with 2-ethyl-2-(hydroxymethyl)-1,3... substance identified as poly(oxy-1,2-ethanediyl),α-hydro-ω-(oxiranylmethoxy)-, ether with...

  9. 40 CFR 721.7700 - Poly(oxy-1,2-ethanediyl), α-hydro-ω-(oxiranylmethoxy)-, ether with 2-ethyl-2-(hydroxymethyl)-1,3...

    Code of Federal Regulations, 2010 CFR

    2010-07-01

    ... 40 Protection of Environment 30 2010-07-01 2010-07-01 false Poly(oxy-1,2-ethanediyl), α-hydro-Ï... Poly(oxy-1,2-ethanediyl), α-hydro-ω-(oxiranylmethoxy)-, ether with 2-ethyl-2-(hydroxymethyl)-1,3... substance identified as poly(oxy-1,2-ethanediyl),α-hydro-ω-(oxiranylmethoxy)-, ether with...

  10. Synthesis and Characterization of 1,4-Dihydro-3,1-Benzoxazines and 1,2,3,4-Tetrahydroquinazolines: An Unknown Structure Determination Experiment

    ERIC Educational Resources Information Center

    Bendorf, Holly D.; Vebrosky, Emily N.; Eck, Brian J.

    2016-01-01

    In this experiment for an upper-division course in organic structure determination, each student prepares an unknown compound and characterizes the product using multiple spectroscopic techniques. The unknowns, 2-aryl-substituted 1,4-dihydro-3,1-benzoxazines and 1,2,3,4-tetrahydroquinazolines, are prepared in a single step by the condensation of…

  11. CRC DEPLETION CALCULATIONS FOR THE RODDED ASSEMBLIES IN BATCHES 1, 2, 3, AND 1X OF CRYSTAL RIVER UNIT 3

    SciTech Connect

    Kenneth D. Wright

    1997-09-03

    The purpose of this design analysis is to document the SAS2H depletion calculations of certain rodded fuel assemblies from batches 1, 2, 3, and 1X of the Crystal River Unit 3 pressurized water reactor (PWR) that are required for Commercial Reactor Critical (CRC) evaluations to support the development of the disposal criticality methodology. A rodded assembly is one that contains a control rod assembly (CRA) or an axial power shaping rod assembly (APSRA) for some period of time during its irradiation history. The objective of this analysis is to provide SAS2H calculated isotopic compositions of depleted fuel and depleted burnable poison for each fuel assembly to be used in subsequent CRC reactivity calculations containing the fuel assemblies.

  12. Omega-3 polyunsaturated fatty acid has an anti-oxidant effect via the Nrf-2/HO-1 pathway in 3T3-L1 adipocytes

    SciTech Connect

    Kusunoki, Chisato; Yang, Liu; Yoshizaki, Takeshi; Nakagawa, Fumiyuki; Ishikado, Atsushi; Kondo, Motoyuki; Morino, Katsutaro; Sekine, Osamu; Ugi, Satoshi; Nishio, Yoshihiko; Kashiwagi, Atsunori; Maegawa, Hiroshi

    2013-01-04

    Highlights: Black-Right-Pointing-Pointer Omega-3 PUFA has a direct anti-oxidant effect in adipocytes. Black-Right-Pointing-Pointer EPA and DHA induce HO-1 expression in 3T3-L1 adipocytes. Black-Right-Pointing-Pointer Omega-3 PUFA and its end-product, 4-HHE, activates the Nrf-2/HO-1 pathway. Black-Right-Pointing-Pointer Omega-3 PUFA protects against oxidative stress-induced cytotoxicity. -- Abstract: Oxidative stress is produced in adipose tissue of obese subjects and has been associated with obesity-related disorders. Recent studies have shown that omega-3 polyunsaturated fatty acid ({omega}3-PUFA) has beneficial effects in preventing atherosclerotic diseases and insulin resistance in adipose tissue. However, the role of {omega}3-PUFA on adipocytes has not been elucidated. In this study, 3T3-L1 adipocytes were treated with {omega}3-PUFA and its metabolites, eicosapentaenoic acid (EPA), docosahexaenoic acid (DHA), or 4-hydroxy hexenal (4-HHE). {omega}3-PUFA and its metabolites dose-dependently increased mRNA and protein levels of the anti-oxidative enzyme, heme oxygenase-1 (HO-1); whereas no changes in the well-known anti-oxidant molecules, superoxide dismutase, catalase, and glutathione peroxidase, were observed. Knockdown of nuclear factor erythroid 2-related factor 2 (Nrf-2) significantly reduced EPA, DHA or 4-HHE-induced HO-1 mRNA and protein expression. Also, pretreatment with {omega}3-PUFA prevented H{sub 2}O{sub 2}-induced cytotoxicity in a HO-1 dependent manner. In conclusion, treatment with EPA and DHA induced HO-1 through the activation of Nrf-2 and prevented oxidative stress in 3T3-L1 adipocytes. This anti-oxidant defense may be of high therapeutic value for clinical conditions associated with systemic oxidative stress.

  13. beta-Adrenergic blocking agents. 18. 1-(Aryloxy)-3-(arylthioalkylamino)propan-2-ols and 1-substituted alkylthioamino-3-(aryloxy)propan-2-ols.

    PubMed

    Tucker, H; Coope, J F

    1978-08-01

    The synthesis is described of a seris of derivaties of 1-(aryloxy)-3-(arylthioalkylamiho)propan-2-ols and 1-(alkylthioamino)- and 1-(aralkylamino)-3-(aryloxy)propan-2-ols. These compounds were investigated for their beta-adrenoreceptor blocking properties and their selectivity of action for the cardiac beta1 receptor. The structure-activity relationships are discussed with particular reference to the effects of the sulfur, sulfoxide, and sulfone groups on beta-adrenoreceptor blocking potency and selectivity.

  14. Spread of Influenza Virus A (H5N1) Clade 2.3.2.1 to Bulgaria in Common Buzzards

    PubMed Central

    Marinova-Petkova, Atanaska; Georgiev, Georgi; Seiler, Patrick; Darnell, Daniel; Franks, John; Krauss, Scott; Webby, Richard J.

    2012-01-01

    On March 15, 2010, a highly pathogenic avian influenza virus was isolated from the carcass of a common buzzard (Buteo buteo) in Bulgaria. Phylogenetic analyses of the virus showed a close genetic relationship with influenza virus A (H5N1) clade 2.3.2.1 viruses isolated from wild birds in the Tyva Republic and Mongolia during 2009–2010. Designated A/common buzzard/Bulgaria/38WB/2010, this strain was highly pathogenic in chickens but had low pathogenicity in mice and ferrets and no molecular markers of increased pathogenicity in mammals. The establishment of clade 2.3.2.1 highly pathogenic avian influenza viruses of the H5N1 subtype in wild birds in Europe would increase the likelihood of health threats to humans and poultry in the region. PMID:23017273

  15. Fabrication and Evaluation of Mn-Substituted Ba(Cu1/3Nb2/3)O3 Ceramics

    NASA Astrophysics Data System (ADS)

    Kamimura, Y.; Lee, B.-Y.; Yazawa, K.; Funakubo, H.; Iijima, T.; Uchida, H.

    2011-10-01

    Perovskite oxides with higher phase transition temperature receive much attention as promising candidates which possess excellent and stable dielectric properties over wide temperature range. In the present research, dense ceramics of Ba-based perovskite oxides of Ba(Cu1/3Nb2/3)O3 (BCN) were fabricated by powder sintering. Mn-substituted BCN (Mn-BCN) ceramics were also fabricated for improving the insulating property of the BCN ceramics. Mn-BCN ceramics were fabricated by powder sintering using fine precursor powders derived from sol-gel solutions. The chemical composition of the precursors were Ba[(Cu1/3Nb2/3)1-yMny]O3 with Mn content of y = 0-0.05. The cylindrical compacts of the powders were heat-treated at 1200-1350°C for 1-6 h for sintering. All of Mn-BCN ceramics consisted of perovskite-type crystal structure in tetragonal system at room temperature. The relative density of the pure and Mn-BCN ceramics sintered at 1300°C for 1 h were higher than 90%. The densities were degraded by firing at higher temperature and/or for longer time, owing to the thermal decomposition of the BCN crystalline phase. The Mn-substitution for BCN ceramics resulted in disappearing the dielectric relaxation and suppressing the leakage current conduction.

  16. Experimental and theoretical study of the structures and enthalpies of formation of 3H-1,3-benzoxazole-2-thione, 3H-1,3-benzothiazole-2-thione, and their tautomers.

    PubMed

    Roux, Maria Victoria; Temprado, Manuel; Jiménez, Pilar; Foces-Foces, Concepción; Notario, Rafael; Parameswar, Archana R; Demchenko, Alexei V; Chickos, James S; Deakyne, Carol A; Liebman, Joel F

    2010-06-01

    This paper reports an experimental and theoretical study of the structures and standard (p(o) = 0.1 MPa) molar enthalpies of formation of 3H-1,3-benzoxazole-2-thione and 3H-1,3-benzothiazole-2-thione. The enthalpies of combustion and sublimation were measured by rotary bomb combustion calorimetry and the Knudsen effusion technique, and gas-phase enthalpies of formation values at T = 298.15 K of (42.0 +/- 2.7) and (205.5 +/- 3.8) kJ x mol(-1) for 3H-1,3-benzoxazole-2-thione and 3H-1,3-benzothiazole-2-thione, respectively, were determined. G3-calculated enthalpies of formation are in excellent agreement with the experimental values. The present work discusses the question of tautomerism explicitly for both compounds and compares the energetics of all the related species. A comparison of the theoretical results with the structural data is also reported.

  17. Experimental and Theoretical Study of the Structures and Enthalpies of Formation of the Synthetic Reagents 1,3-Thiazolidine-2-thione and 1,3-Oxazolidine-2-thione

    NASA Astrophysics Data System (ADS)

    Roux, María Victoria; Temprado, Manuel; Jiménez, Pilar; Foces-Foces, Concepción; Notario, Rafael; Parameswar, Archana R.; Demchenko, Alexei V.; Chickos, James S.; Deakyne, Carol A.; Ludden, Alicia K.; Liebman, Joel F.

    2009-09-01

    This paper reports an experimental and a theoretical study of the structures and standard (po = 0.1 MPa) molar enthalpies of formation of the synthetic reagents 1,3-thiazolidine-2-thione [CAS 96-53-7] and 1,3-oxazolidine-2-thione [CAS 5840-81-3]. The enthalpies of combustion and sublimation were measured by rotary bomb combustion calorimetry, and the Knudsen effusion technique and gas-phase enthalpies of formation values at T = 298.15 K of (97.1 ± 4.0) and -(74.4 ± 4.6) kJ·mol-1 for 1,3-thiazolidine-2-thione and 1,3-oxazolidine-2-thione, respectively, were determined. G3-calculated enthalpies of formation are in reasonable agreement with the experimental values. In the solid state, 1,3-thiazolidine-2-thione exists in two polymorphic forms (monoclinic and triclinic) and 1,3-oxazolidine-2-thione exits in the triclinic form. The isostructural nature of these compounds and comparison of their molecular and crystal structures have been analyzed. The experimental X-ray powder diffractograms have been compared with the calculated patterns from their structures for identification of the polymorphic samples used in this study. A comparison of our results with literature thermochemical and structural data for related compounds is also reported.

  18. N-(3,4-Dimethyl-phen-yl)-4-hydr-oxy-2-methyl-2H-1,2-benzothia-zine-3-carboxamide 1,1-dioxide.

    PubMed

    Siddiqui, Waseeq Ahmad; Ali, Muhammad; Zia-Ur-Rehman, Muhammad; Sharif, Saima; Tizzard, Graham John

    2009-03-28

    1,2-Benzothia-zines similar to the title compound, C(18)H(18)N(2)O(4)S, are well known in the literature for their biological activities and are used as medicines in the treatment of inflammation and rheumatoid arthritis. The thia-zine ring adopts a distorted half-chair conformation. The enolic H atom is involved in an intra-molecular O-H⋯O hydrogen bond, forming a six-membered ring. In the crystal, mol-ecules arrange themselves into centrosymmetric dimers by means of pairs of weak inter-molecular N-H⋯O hydrogen bonds.

  19. Synthesis of Highly Stable 1,3-Diaryl-1H-1,2,3-triazol-5-ylidenes and their Applications in Ruthenium-Catalyzed Olefin Metathesis

    PubMed Central

    Bouffard, Jean; Keitz, Benjamin K.; Tonner, Ralf; Lavallo, Vincent; Guisado-Barrios, Gregorio; Frenking, Gernot

    2011-01-01

    The formal cycloaddition between 1,3-diaza-2-azoniaallene salts and alkynes or alkyne equivalents provides an efficient synthesis of 1,3-diaryl-1H-1,2,3-triazolium salts, the direct precursors of 1,2,3-triazol-5-ylidenes. These N,N-diarylated mesoionic carbenes (MICs) exhibit enhanced stability in comparison to their alkylated counterparts. Experimental and computational results confirm that these MICs act as strongly electron-donating ligands. Their increased stability allows for the preparation of ruthenium olefin metathesis catalysts that are efficient in both ring-opening and ring-closing reactions. PMID:21572542

  20. 1-Methyl-3-phenyl­sulfonyl-2-piperidone

    PubMed Central

    Zukerman-Schpector, Julio; Olivato, Paulo R.; Cerqueira Jr, Carlos R.; Vinhato, Elisângela; Tiekink, Edward R. T.

    2008-01-01

    The piperidone ring in the title compound, C12H15NO3S, has a slightly distorted half-chair conformation with the methyl, carbonyl and phenyl­sulfonyl ring substituents occupying equatorial, equatorial and axial positions, respectively. Mol­ecules are connected into centrosymmetric dimers via C—H⋯O inter­actions and these associate into layers via C—H⋯O—S contacts. Further C—H⋯O inter­actions involving both the carbonyl and sulfonyl O atoms consolidate the crystal packing by providing connections between the layers. PMID:21202324

  1. 40 CFR 721.4040 - Glycols, polyethylene-, 3-sulfo-2-hydroxypropyl-p-(1,1,3,3-tetra-methylbutyl)phenyl ether, sodium...

    Code of Federal Regulations, 2010 CFR

    2010-07-01

    ... 40 Protection of Environment 30 2010-07-01 2010-07-01 false Glycols, polyethylene-, 3-sulfo-2-hydroxypropyl-p-(1,1,3,3-tetra-methylbutyl)phenyl ether, sodium salt. 721.4040 Section 721.4040 Protection of Environment ENVIRONMENTAL PROTECTION AGENCY (CONTINUED) TOXIC SUBSTANCES CONTROL ACT SIGNIFICANT NEW USES OF CHEMICAL SUBSTANCES Significant...

  2. Synthesis, Average Structure, and Magnetic Properties of Oxygen Deficient Perovskites (Ba 2-3 xBi 3 x-1 )(Fe 2 xBi 1-2 x)O 2+3/2 x

    NASA Astrophysics Data System (ADS)

    Boullay, Ph.; Hervieu, M.; Nguyen, N.; Raveau, B.

    1999-10-01

    A new family of oxygen deficient perovskite [Ba2-3xBi3x-1] [Fe2xBi1-2x]O2+3x/2 has been synthesized for 1/3≤x≤1/2. The average structure of these phases is determined using a combination of X-ray, neutron powder diffraction, and electron diffraction. The compounds exhibit a cubic subcell (a=ap) for x≤0.43 and a tetragonal subcell (a≈c≈ap) for 0.433 for x=0.40 to γ=0.25 for x=0.50. The distribution of Bi(III) between the two A and B sites is demonstrated. The Mössbauer study shows that iron is in the trivalent state and a progressive evolution of its coordination in the in-commensurate samples. Magnetic susceptibility measurements evidence a magnetic transition for x≥0.45 samples, whose temperatureT spreads from 620 to 720 K. The examination of the paramagnetic domain confirms that iron is trivalent with a high spin configuration (μ=5μB/Fe3+). The M(H) curve registered at 5 K for x=0.50 shows that this phase is a weak ferromagnet. The magnetic transition is confirmed by calorimetric measurements.

  3. 4-(4-bromophenyl)-2-methyl-1,3-thiazole.

    PubMed

    Rodríguez de Barbarín, Cecilia; Bernès, Sylvain; Sánchez-Viesca, Francisco; Berros, Martha

    2003-07-01

    In the structure of the title compound, C(10)H(8)BrNS, the dihedral angles between the planes of the thiazole and aryl rings, viz. 4.2 (6) and 7.5 (6) degrees for the two independent molecules, are consistent with insignificant molecular perturbation by the weak intermolecular contacts. The molecules are close to being related by a non-crystallographic inversion centre, with C-H.pi and pi-pi intermolecular interactions observed.

  4. Expression of purinergic P2X receptor subtypes 1, 2, 3 and 7 in equine laminitis.

    PubMed

    Zamboulis, Danae E; Senior, Mark; Clegg, Peter D; Milner, Peter I

    2013-11-01

    Tissue sensitisation and chronic pain have been described in chronic-active laminitis in the horse, making treatment of such cases difficult. Purinergic P2X receptors are linked to chronic pain and inflammation. The aim of this study was to examine the expression of purinergic P2X receptor subtypes 1, 2, 3 and 7 in the hoof, palmar digital vessels and nerve, dorsal root ganglia and spinal cord in horses with chronic-active laminitis (n=5) compared to non-laminitic horses (n=5). Immunohistochemical analysis was performed on tissue sections using antibodies against P2X receptor subtypes 1-3 and 7. In horses with laminitis, there was a reduction in the thickness of the tunica media layer of the palmar digital vein as a proportion of the whole vessel diameter (0.48±0.05) compared to the non-laminitic group (0.57±0.04; P=0.02). P2X receptor subtype 3 was expressed in the smooth muscle layer (tunica media) of the palmar digital artery of horses with laminitis, but was absent in horses without laminitis. There was strong expression of P2X receptor subtype 7 in the proliferating, partially keratinised, epidermal cells of the secondary epidermal lamellae in the hooves of horses with laminitis, but no immunopositivity in horses without laminitis.

  5. The spectroscopic analysis of the v2 = 1, v5 = 1, and v3 = v6 = 1 infrared vibration system of H3SiI

    NASA Astrophysics Data System (ADS)

    Canè, Elisabetta; Villa, Mattia; Tamassia, Filippo; Fusina, Luciano; Bürger, Hans; Litz, Marion

    2016-06-01

    The ν2 (A1)/ν5 (E)/ν3 + ν6 (E) band system of H328SiI was investigated using Fourier transform infrared spectra recorded from 820 to 1100 cm- 1 at a resolution of 2.0 × 10- 3 cm- 1. In total, 11,903 transitions were assigned. Additional 1466 transitions reaching the v3 = v6 = 1 state were obtained from the ν3 + ν6 - ν6 and ν3 + ν6 - ν3 hot bands near 360 and 590 cm- 1, respectively. Moreover, 30 highly accurate CO2 laser sideband transitions of the rQ0 branch of ν5 (J.M. Frye, W. Schupita, and G. Magerl, J. Mol. Spectrosc. 128, 427 (1988)) were implemented in the data set with J max ″ = 140 and K max ″ = 21. To adequately reproduce the complex pattern of interacting levels the Hamiltonian employed included 14 off-diagonal terms. These comprise x,y Coriolis ro-vibration resonances, between ν2/ν5, ν23 + ν6 and ν5/ν3 + ν6, and the anharmonic Fermi resonance between ν5/ν3 + ν6. All these resonances strongly perturb the v2 = 1, v5 = 1, and v3 = v6 = 1 excited states whose rounded deperturbed vibrational term values are 904.5, 941.1, and 953.7 cm- 1, respectively. In addition, the Δl = Δk = ± 2 l-resonance was found to be active within the v3 = v6 = 1 state and between v5 = 1 and v3 = v6 = 1; the Δl = ± 2 , Δk = ∓ 1 l-resonance within the v5 = 1 state and between v5 = 1 and v3 = v6 = 1 was established, as well as the Δl = ± 1 , Δk = ∓ 2 α resonance between v2 = 1 and v5 = 1. A standard deviation of the fit, 0.48 × 10- 3 cm- 1, resulted which is ca. three times the estimated precision of experimental wavenumbers. Improved J-dependent ground state parameters of H3SiI were obtained by fitting 5420 combination differences, σ(fit) = 0.22 × 10- 3 cm- 1.

  6. Variation in PTCHD2, CRISP3, NAP1L4, FSCB, and AP3B2 associated with spherical equivalent

    PubMed Central

    Chen, Fei; Duggal, Priya; Klein, Barbara E.K.; Lee, Kristine E.; Truitt, Barbara; Klein, Ronald; Iyengar, Sudha K.

    2016-01-01

    Purpose Ocular refraction is measured in spherical equivalent as the power of the external lens required to focus images on the retina. Myopia (nearsightedness) and hyperopia (farsightedness) are the most common refractive errors, and the leading causes of visual impairment and blindness in the world. The goal of this study is to identify rare and low-frequency variants that influence spherical equivalent. Methods We conducted variant-level and gene-level quantitative trait association analyses for mean spherical equivalent, using data from 1,560 individuals in the Beaver Dam Eye Study. Genotyping was conducted using the Illumina exome array. We analyzed 34,976 single nucleotide variants and 11,571 autosomal genes across the genome, using single-variant tests as well as gene-based tests. Results Spherical equivalent was significantly associated with five genes in gene-based analysis: PTCHD2 at 1p36.22 (p = 3.6 × 10−7), CRISP3 at 6p12.3 (p = 4.3 × 10−6), NAP1L4 at 11p15.5 (p = 3.6 × 10−6), FSCB at 14q21.2 (p = 1.5 × 10−7), and AP3B2 at 15q25.2 (p = 1.6 × 10−7). The variant-based tests identified evidence suggestive of association with two novel variants in linkage disequilibrium (pairwise r2 = 0.80) in the TCTE1 gene region at 6p21.1 (rs2297336, minor allele frequency (MAF) = 14.1%, β = –0.62 p = 3.7 × 10−6; rs324146, MAF = 16.9%, β = –0.55, p = 1.4 × 10−5). In addition to these novel findings, we successfully replicated a previously reported association with rs634990 near GJD2 at 15q14 (MAF = 47%, β = –0.29, p=1.8 × 10−3). We also found evidence of association with spherical equivalent on 2q37.1 in PRSS56 at rs1550094 (MAF = 31%, β = –0.33, p = 1.7 × 10−3), a region previously associated with myopia. Conclusions We identified several novel candidate genes that may play a role in the control of spherical equivalent. However, further studies are needed to replicate these findings. In addition, our results contribute to the

  7. Asymmetric construction of 3-vinylidene-pyrrolidine derivatives containing allene moiety via Ag(I)/TF-BiphamPhos-catalyzed 1,3-dipolar cycloaddition of azomethine ylides with diethyl 2-(3,3-diphenylpropa-1,2-dienylidene) malonate.

    PubMed

    Xue, Zhi-Yong; Fang, Xin; Wang, Chun-Jiang

    2011-05-21

    Catalytic asymmetric 1,3-dipolar cycloaddition of various azomethine ylides with diethyl 2-(3,3-diphenylpropa-1,2-dienylidene)malonate has been developed successfully with good to excellent enantioselectivity for the effcient construction of 3-vinylidene-pyrrolidine derivatives containing a unique allene moiety.

  8. Asymmetric construction of 3-vinylidene-pyrrolidine derivatives containing allene moiety via Ag(I)/TF-BiphamPhos-catalyzed 1,3-dipolar cycloaddition of azomethine ylides with diethyl 2-(3,3-diphenylpropa-1,2-dienylidene) malonate.

    PubMed

    Xue, Zhi-Yong; Fang, Xin; Wang, Chun-Jiang

    2011-05-21

    Catalytic asymmetric 1,3-dipolar cycloaddition of various azomethine ylides with diethyl 2-(3,3-diphenylpropa-1,2-dienylidene)malonate has been developed successfully with good to excellent enantioselectivity for the effcient construction of 3-vinylidene-pyrrolidine derivatives containing a unique allene moiety. PMID:21472159

  9. 1H NMR for quantifying sulfide trapping efficiency by using 1,3,5-tris(2-hydroxyethyl)-1,3,5-triazinane.

    PubMed

    Canuto, André V S; Echevarria, Aurea

    2014-07-01

    Hydrogen sulfide (H2S) is an extremely toxic colourless gas; it is corrosive and denser than air. It usually happens in oil and natural gas fields, refineries, coal mines, and in some industrial effluent treatment systems. This work presents an alternative method of monitoring and quantifying H2S trapping efficiency by using 1,3,5-tris(2-hydroxyethyl)-1,3,5-triazinane as a sequestering agent, and sodium sulfide as a source of sulfide ion, through (1)H NMR spectroscopy. The results proved that the reaction occurs very quickly at 20 °C at pH 7 and 10. 3,5-di(2-hydroxyethyl)-1,3,5-thiodiazinane and 5-(2-hydroxyethyl)-1,3,5-dithiozinane were observed and quantified; it was evidenced that (1)H NMR spectroscopy can be applied as a fast and effective method to quantify H2S trapping efficiency. PMID:24723368

  10. Synthetic, Infrared, 1H and 13C NMR Spectral Studies on N-(2/3/4-Substituted Phenyl)-2,4-Disubstituted Benzenesulphonamides, 2,4-(CH3)2/2-CH3-4-Cl/2,4-Cl2C6H3SO2NH(i-XC6H4) (i-X = H, 2-CH3, 3-CH3, 4-CH3, 2-Cl, 3-Cl, 4-Cl, 4-F, 4-Br)

    NASA Astrophysics Data System (ADS)

    Basappa, Savitha M.; Gowda, Basavalinganadoddy Thimme

    2006-11-01

    Twenty six N-(2/3/4-substituted phenyl)-2,4-disubstituted benzenesulphonamides of the general formulae 2,4-(CH3)2C6H3SO2NH(i-XC6H4), 2-CH3-4-ClC6H3SO2NH(i-XC6H4) and 2,4- Cl2C6H3SO2NH(i-XC6H4), where i-X = H, 2-CH3, 3-CH3, 4-CH3, 2-Cl, 3-Cl, 4-Cl, 4-F or 4-Br, have been prepared, characterized and their infrared spectra in the solid state and 1H and 13C NMR spectra in solution studied. The infrared N-H stretching vibrational frequencies vary in the range 3298 - 3233 cm-1. Asymmetric and symmetric SO stretching vibrations appear in the ranges 1373 - 1311 cm-1 and 1177 - 1140 cm-1, respectively, while C-S, S-N and C-N stretching absorptions vary in the ranges 840 - 812 cm-1, 972 - 908 cm-1 and 1295 - 1209 cm-1, respectively. The various 1H and 13C NMR chemical shifts are assigned to the protons and carbon atoms of the two benzene rings in line with those for similar compounds. The incremental shifts due to the groups in the parent compounds have been computed by comparing the chemical shifts of the protons or carbon atoms in these compounds with those of benzene or aniline, respectively. The computed incremental shifts and other data were used to calculate the 1H and 13C NMR chemical shifts of the substituted compounds in three different ways. The calculated chemical shifts by the three methods compared well with each other and with the observed chemical shifts. It is observed that there are no particular trends in the variation of either the infrared absorption frequencies or the chemical shifts with the nature or site of substitution.

  11. One-dimensional Cu(II) coordination polymers containing C2h-symmetric 1,1':4',1''-terphenyl-3,3'-dicarboxylate linkers.

    PubMed

    Kim, Hyun Chul; Gu, Ja Min; Huh, Seong; Yo, Chul Hyun; Kim, Youngmee

    2015-10-01

    Two new one-dimensional Cu(II) coordination polymers (CPs) containing the C2h-symmetric terphenyl-based dicarboxylate linker 1,1':4',1''-terphenyl-3,3'-dicarboxylate (3,3'-TPDC), namely catena-poly[[bis(dimethylamine-κN)copper(II)]-μ-1,1':4',1''-terphenyl-3,3'-dicarboxylato-κ(4)O,O':O'':O'''] monohydrate], {[Cu(C20H12O4)(C2H7N)2]·H2O}n, (I), and catena-poly[[aquabis(dimethylamine-κN)copper(II)]-μ-1,1':4',1''-terphenyl-3,3'-dicarboxylato-κ(2)O(3):O(3')] monohydrate], {[Cu(C20H12O4)(C2H7N)2(H2O)]·H2O}n, (II), were both obtained from two different methods of preparation: one reaction was performed in the presence of 1,4-diazabicyclo[2.2.2]octane (DABCO) as a potential pillar ligand and the other was carried out in the absence of the DABCO pillar. Both reactions afforded crystals of different colours, i.e. violet plates for (I) and blue needles for (II), both of which were analysed by X-ray crystallography. The 3,3'-TPDC bridging ligands coordinate the Cu(II) ions in asymmetric chelating modes in (I) and in monodenate binding modes in (II), forming one-dimensional chains in each case. Both coordination polymers contain two coordinated dimethylamine ligands in mutually trans positions, and there is an additional aqua ligand in (II). The solvent water molecules are involved in hydrogen bonds between the one-dimensional coordination polymer chains, forming a two-dimensional network in (I) and a three-dimensional network in (II).

  12. Entry of 1-methyl-4-phenyl-1,2,3,6-tetrahydropyridine into the rat brain

    SciTech Connect

    Riachi, N.J.; LaManna, J.C.; Harik, S.I.

    1989-06-01

    We studied blood-to-brain entry of 1-methyl-4-phenyl-1,2,3,6-tetrahydropyridine (MPTP), 1-methyl-4-phenylpyridinium (MPP+) and butanol in anesthetized rats using the indicator-fractionation method with right atrial bolus injection. Minimal amounts of MPP+, which has low octanol/water partition coefficient, crossed the blood-brain barrier. MPTP and butanol, both of which have high octanol/water partition coefficients, were almost completely extracted by all regions of the brain on the first pass. The main difference between the MPTP and butanol tracers is that butanol rapidly left the brain with an exponential rate constant of 1.24 min-1, whereas MPTP was avidly retained by the brain with a washout rate constant of 0.10 min-1 (mean values for the four brain regions that we studied). Early retention of MPTP by the brain was not due to its rapid metabolism by monoamine oxidase because pargyline pretreatment did not affect this rate constant. However, 30 min after (/sup 3/H)MPTP injection, brain retention of the 3H tracer was reduced significantly by pargyline treatment, and the ratio of brain MPTP/MPP+ was increased markedly.

  13. Crystal structure of 1-methyl-3-([2,2-dimethyl-4,6-dioxo-1,3-dioxane-5-ylidene]methyl)urea

    SciTech Connect

    Habibi, A. Ghorbani, H. S.; Bruno, G.; Rudbari, H. A.; Valizadeh, Y.

    2013-12-15

    The crystal structure of 1-Methyl-3-([2,2-dimethyl-4,6-dioxo-1,3-dioxane-5-ylidene]methyl)urea (C{sub 9}H{sub 12}N{sub 2}O{sub 5}) has been determined by single crystal X-ray diffraction analysis. The crystals are monoclinic, a = 5.3179(2), b = 18.6394(6), c =10.8124(3) Å, β = 100.015(2)°, Z = 4, sp. gr. P2{sub 1}/c, R = 0.0381 for 2537 reflections with I > 2σ(I). Except for C(CH{sub 3}){sub 2} group, the molecule is planar. The structure is stabilized by inter- and intramolecular N-H...O hydrogen bonds and weak C-H...O interactions.

  14. Synthesis, single crystal structure, spectroscopic characterization and molecular properties of (2E)-3-(2,6-dichlorophenyl)-1-(3,4-dimethoxyphenyl)prop-2-en-1-one

    NASA Astrophysics Data System (ADS)

    Chidan Kumar, C. S.; Quah, Ching Kheng; Balachandran, V.; Fun, Hoong-Kun; Asiri, A. M.; Chandraju, Siddegowda; Karabacak, Mehmet

    2016-07-01

    A novel (2E)-3-(2,6-dichlorophenyl)-1-(3,4-dimethoxyphenyl)prop-2-en-1-one (DCPDMP) compound has been synthesized and its single crystal has been grown by slow evaporation technique. The structure of the compound has been characterized by FT-IR, FT-Raman and single-crystal X-ray diffraction techniques. The optimized molecular structure, vibrational wavenumbers, corresponding vibrational assignments of the compound have been investigated by means of the density functional theory. The molecule crystallizes in triclinic system, space group P-1 with a = 7.6179 (7), b = 8.5023 (7), c = 12.1967 (10) Å, V = 764.39 (11) Å3 and two molecules in the unit cell. The crystal structure is primarily stabilized through intramolecular C-H … Cl and C-H … O hydrogen bonds and intermolecular C-H … O and weak C-H … π interactions. These inter- and intramolecular interactions are analyzed. Moreover, the molecular electrostatic potential surface of the molecule has been constructed. Global and local reactivity descriptors and dipole moment (μ), static polarizability (α), first order hyperpolarizability (β) and optical gap (ΔE) have been also calculated to study the nonlinear optical (NLO) property of the title compound.

  15. A theoretical study on 3-(4-methoxyphenyl)-1-(pyridin-2-Yl) prop-2-en-1-one

    NASA Astrophysics Data System (ADS)

    Öner, Nazmiye; Tamer, Ömer; Avci, Davut; Atalay, Yusuf

    2016-03-01

    This study reports the geometric parameters, vibration frequencies, 13C and 1H NMR chemical shifts of 3-(4-Methoxyphenyl)-1-(pyridin-2-yl) prop-2-en-1-one (MPP) molecule calculated by B3LYP level of density functional theory (DFT) with 6-311++G(d,p) basis set. 13C and 1H NMR chemical shifts were calculated within GIAO approach which is one of the most common approaches. Additionally, 3D molecular surfaces such as molecular electrostatic potential (MEP) and electrostatic potential (ESP), were simulated by the same level. As a result, obtained theoretical results were found to be consistent with experimental ones. All of calculations were carried out Gaussian 09 package program.

  16. Charge transfer and orbital reconstruction in the (La2/3Sr1/3MnO3)m/(SrRuO3)n superlattices

    NASA Astrophysics Data System (ADS)

    Lv, Kai; Zhu, H. P.; Zou, W. Q.; Zhang, F. M.; Wu, X. S.

    2015-05-01

    The structural, electronic, and magnetic properties of (La2/3Sr1/3MnO3)m/(SrRuO3)n superlattices have been investigated based on the first principles calculations. An obvious Jahn-Teller distortion, which depends on m, n, appears in MnO6 octahedron in the superlattices. The stretch along c-axis of MnO6 octahedron at the interface lifts the Mn eg orbital degeneracy, with electrons preferring the lower energy 3 z2-r2 to the higher energy x2-y2 . Benefitting from the charge transfer at the interface, the still occupied x2-y2 orbital can mediate a robust in-plane double exchange interaction. La2/3Sr1/3MnO3 block is ferromagnetic and metallic, even for the superlattice with m = n = 1.

  17. First principles prediction of a morphotropic phase boundary in the Bi(Zn1/2Ti1/2)O3-(Bi1/2Sr1/2)(Zn1/2Nb1/2)O3 alloy

    SciTech Connect

    Cooper, Valentino R; Henry, Asegun S; Takagi, Shigeyuki M; Singh, David J

    2011-01-01

    The magnitude and direction of polarization within alloys of the tetragonally distorted Bi(Zn1/2Ti1/2)O3 (BZT) and the rhombohedrally oriented Bi1/2Sr1/2Zn1/2Nb1/2O3 (BSZN) are explored using density functional theory. For compositions with 50% of BZT, we find that the polarization points mainly along the [001] direction. Conversely, for low concentrations of BZT the polarization is rhombohedrally oriented. Based on these results we propose a phase diagram with a possible monoclinc phase between 25% and 50 % BZT where this material may have a useful piezoelectric response.

  18. Experimental and quantum chemical study on the IR, UV and electrode potential of 6-(2,3-dihydro-1,3-dioxo-2-phenyl-1 H-inden-2-yl)-2,3-dihydroxybenzaldehyde

    NASA Astrophysics Data System (ADS)

    Riahi, Siavash; Ganjali, Mohammad Reza; Bayandori Moghaddam, Abdolmajid; Norouzi, Parviz

    2008-12-01

    Electrode potential of 6-(2,3-dihydro-1,3-dioxo-2-phenyl-1 H-inden-2-yl)-2,3-dihydroxybenzaldehyde (DPDB) in methanol have been calculated theoretically. For the achievement of this task, the density functional theory (B3LYP/6-31G(d)) was employed with the inclusion of the entropic and thermochemical corrections to yield the free energies of the redox reactions. The electrode potential was also obtained experimentally by means of an electrochemical technique (cyclic voltammetry). The geometric parameters, the vibrational frequency values and the UV spectrum of DPDB and 2-(2,3-dihydro-1,3-dioxo-2-phenyl-1 H-inden-2-yl)-5,6-dioxocyclohexa-1,3-dienecarbaldehyde (DPDD is the oxidized form of DPDB), were computed using the same methods. The calculated IR spectrum of DPDB, used for the assignment of the IR frequencies, was observed in the experimental FT-IR spectrum. The correlation between the theoretical and experimental DPDB vibrational frequencies was 0.996. This agreement mutually verified the accuracy of the experimental method and the validity of the applied mathematical model.

  19. Seismic piping test and analysis. Volumes 1, 2, and 3

    SciTech Connect

    Not Available

    1980-09-01

    This report presents selected results to date of a dynamic testing and analysis program focusing on a piping system at Consolidated Edison Company of New York's Indian Point-1 Nuclear Generating Station. The goal of this research program is the development of more accurate and realistic models of piping systems subjected to seismic, hydraulic, operating, and other dynamic loads. The program seeks to identify piping system properties significant to dynamic response rather than seeking to simulate any particular form of excitation. The fundamental experimental approach is the excitation of piping/restraint devices/supports by a variety of dynamic test methods and the analysis of the resulting response to identify the characteristic dynamic properties of the system tested. The comparison of the identified dynamic properties to those predicted by alternative analytical approaches will support improvements in methods used in the dynamic analysis of piping, restraint, devices, and supports.

  20. Identification of 1-{2-[4-chloro-1'-(2,2-dimethylpropyl)-7-hydroxy-1,2-dihydrospiro[indole-3,4'-piperidine]-1-yl]phenyl}-3-{5-chloro-[1,3]thiazolo[5,4-b]pyridin-2-yl}urea, a potent, efficacious and orally bioavailable P2Y(1) antagonist as an antiplatelet agent.

    PubMed

    Jeon, Yoon T; Yang, Wu; Qiao, Jennifer X; Li, Ling; Ruel, Rejean; Thibeault, Carl; Hiebert, Sheldon; Wang, Tammy C; Wang, Yufeng; Liu, Yajun; Clark, Charles G; Wong, Henry S; Zhu, Juliang; Wu, Dauh-Rurng; Sun, Dawn; Chen, Bang-Chi; Mathur, Arvind; Chacko, Silvi A; Malley, Mary; Chen, Xue-Qing; Shen, Hong; Huang, Christine S; Schumacher, William A; Bostwick, Jeffrey S; Stewart, Anne B; Price, Laura A; Hua, Ji; Li, Danshi; Levesque, Paul C; Seiffert, Dietmar A; Rehfuss, Robert; Wexler, Ruth R; Lam, Patrick Y S

    2014-03-01

    Spiropiperidine indoline-substituted diaryl ureas had been identified as antagonists of the P2Y1 receptor. Enhancements in potency were realized through the introduction of a 7-hydroxyl substitution on the spiropiperidinylindoline chemotype. SAR studies were conducted to improve PK and potency, resulting in the identification of compound 3e, a potent, orally bioavailable P2Y1 antagonist with a suitable PK profile in preclinical species. Compound 3e demonstrated a robust antithrombotic effect in vivo and improved bleeding risk profile compared to the P2Y12 antagonist clopidogrel in rat efficacy/bleeding models. PMID:24513044

  1. Crystal structures of the two salts 2-methyl-1H-imidazol-3-ium nitrate–2-methyl-1H-imidazole (1/1) and 2-methyl-1H-imidazol-3-ium nitrate

    PubMed Central

    Diop, Mouhamadou Birame; Diop, Libasse; Maris, Thierry

    2016-01-01

    The title salts, C4H7N2 +·NO3 −·C4H6N2, (I), and C4H7N2 +·NO3 −, (II), were obtained from solutions containing 2-methyl­imidazole and nitric acid in different concentrations. In the crystal structure of salt (I), one of the –NH H atoms of the imidazole ring shows half-occupancy, hence only every second mol­ecule is in its cationic form. The nitrate anion in this structure lies on a twofold rotation axis. The neutral 2-methyl­imidazole mol­ecule and the 2-methyl-1H-imidazol-3-ium cation inter­act through N—H⋯N hydrogen bonds to form [(C4H6N2)⋯(C4H7N2)+] pairs. These pairs are linked with two nitrate anions on both sides through bifurcated N—H⋯(O,O) hydrogen bonds into chains running parallel to [001]. In the crystal structure of salt (II), the C4H7N2 + cation and the NO3 − anion are both located on a mirror plane, leading to a statistical disorder of the methyl H atoms. The cations and anions again inter­act through bifurcated N—H⋯(O,O) hydrogen bonds, giving rise to the formation of chains consisting of alternating anions and cations parallel to [100]. PMID:27375869

  2. Crystal structures of the two salts 2-methyl-1H-imidazol-3-ium nitrate-2-methyl-1H-imidazole (1/1) and 2-methyl-1H-imidazol-3-ium nitrate.

    PubMed

    Diop, Mouhamadou Birame; Diop, Libasse; Maris, Thierry

    2016-04-01

    The title salts, C4H7N2 (+)·NO3 (-)·C4H6N2, (I), and C4H7N2 (+)·NO3 (-), (II), were obtained from solutions containing 2-methyl-imidazole and nitric acid in different concentrations. In the crystal structure of salt (I), one of the -NH H atoms of the imidazole ring shows half-occupancy, hence only every second mol-ecule is in its cationic form. The nitrate anion in this structure lies on a twofold rotation axis. The neutral 2-methyl-imidazole mol-ecule and the 2-methyl-1H-imidazol-3-ium cation inter-act through N-H⋯N hydrogen bonds to form [(C4H6N2)⋯(C4H7N2)(+)] pairs. These pairs are linked with two nitrate anions on both sides through bifurcated N-H⋯(O,O) hydrogen bonds into chains running parallel to [001]. In the crystal structure of salt (II), the C4H7N2 (+) cation and the NO3 (-) anion are both located on a mirror plane, leading to a statistical disorder of the methyl H atoms. The cations and anions again inter-act through bifurcated N-H⋯(O,O) hydrogen bonds, giving rise to the formation of chains consisting of alternating anions and cations parallel to [100]. PMID:27375869

  3. Unusual ferromagnetic YMnO3 phase in YMnO3/La2 / 3Sr1 / 3MnO3 heterostructures

    NASA Astrophysics Data System (ADS)

    Autieri, Carmine; Sanyal, Biplab

    2014-11-01

    By means of first-principles density functional calculations, we study the structural, magnetic and electronic properties of YMnO3/L{{a}2/3}S{{r}1/3}MnO3 heterostructures. Although in the bulk the ground state of YMnO3 is an antiferromagnet, the YMnO3/L{{a}2/3}S{{r}1/3}MnO3 heterostructure stabilizes the ferromagnetic (FM) phase in YMnO3 in the interface region over a wide range of Coulomb repulsion parameters. The hypothetical FM phase of bulk YMnO3 is dielectric and due to substantial differences between the lattice constants in the ab plane, a strong magnetocrystalline anisotropy is present. This anisotropy produces a high coercivity of the unusual FM YMnO3 that can explain the large vertical shift in the hysteresis loops observed in recent experiments (Paul et al 2014 J. Appl. Crystallogr. 47 1054). The correlation between weak exchange bias and the vertical shift is proposed, which calls for reinvestigation of various systems showing vertical shifts.

  4. Catalytic reaction of 3-phenyl-2-propyn-1-ol with alcohols

    SciTech Connect

    Grigoryan, S.G.; Avetisyan, K.G.; Matnishyan, A.A.

    1987-01-10

    The cyclic ketal 2,5-dimethyl-2,5-bis(3-phenyl-2-propynyloxy)-1,4-dioxane was obtained by the reaction of 3-phenyl-2-propyn-1=ol with propargyl alcohol in the presence of the HgO-BF/sub 3/ O(C/sub 2/H/sub 5/)/sub 2/ catalytic system. The transformation of 3-phenyl-2-propyn-1-ol and its ethers in methanol and ethanol by the action of the above-mentioned catalytic system leads to 1-phenyl-3-alkoxy-1-propanone, 1-phenyl-1,1,3-trialkoxypropane, and 1-phenyl-2-propen-1-one. The intermediate organomercury compound, which is the product from regioselective addition of mercuric oxide and the saturated alcohol at the triple bond, was isolated. Its protodemercuration led to the above-mentioned linear products. The formation of the cyclic ketal is presumably due to the preferred formation of mercury bis-hydroxypropargylide.

  5. Antifungal and cytotoxic 2-acylcyclohexane-1,3-diones from Peperomia alata and P. trineura.

    PubMed

    Ferreira, Edgard A; Reigada, Juliana B; Correia, Mauro V; Young, Maria C M; Guimarães, Elsie F; Franchi, Gilberto C; Nowill, Alexandre E; Lago, João H G; Yamaguchi, Lydia F; Kato, Massuo J

    2014-06-27

    Bioactivity-guided fractionation of the separate CH2Cl2 extracts from the aerial parts of Peperomia alata and P. trineura yielded seven polyketides: alatanone A [3-hydroxy-2-(5'-phenylpent-4'E-enoyl)cyclohex-2-en-1-one, 1a] and alatanone B [3-hydroxy-2-(3'-phenyl-6'-methylenedioxypropanoyl)cyclohex-2-en-1-one, 2a] from P. alata and trineurone A [3-hydroxy-2-(11'-phenylundec-10'E-enoyl)cyclohex-2-en-1-one, 1b], trineurone B [3-hydroxy-2-(15'-phenyl-18'-methylenedioxypentadecanoyl)cyclohex-2-en-1-one, 2b], trineurone C [3-hydroxy-2-(17'-phenyl-20'-methylenedioxyheptadecanoyl)cyclohex-2-en-1-one, 2c], trineurone D [3-hydroxy-2-(hexadec-10'Z-enoyl)cyclohex-2-en-1-one, 3a], and trineurone E [(6R)-(+)-3,6-dihydroxy-2-(hexadec-10'Z-enoyl)cyclohex-2-en-1-one, 3b] from P. trineura. The isolated compounds were evaluated for antifungal activity against Cladosporium cladosporioides and C. sphaeospermum and for cytotoxicity against the K562 and Nalm-6 leukemia cell lines.

  6. Dielectric spectroscopy of Pb1- x Ba x (Mg1/3Nb2/3) m (Zn1/3Nb2/3) y (Ni1/3Nb2/3) n Ti z O3 solid solutions in a wide temperature interval

    NASA Astrophysics Data System (ADS)

    Talanov, M. V.; Kubrin, S. P.; Pavelko, A. A.; Reznichenko, L. A.

    2016-06-01

    The dielectric spectra of Pb1- x Ba x (Mg1/3Nb2/3) m (Zn1/3Nb2/3) y (Ni1/3Nb2/3) n Ti z O3 ( x = 0-0.15, m = 0.4541, y = 0.0982, n = 0.1477, and z = 0.3) ceramic samples have been studied in wide intervals of temperature (10-873 K) and frequency of the measurement electric field (0.1-1000 kHz). It has been found that an increase in the Ba2+( x) content leads to a reduction in the phase transition temperature (from 418 K at x = 0 to 256 K at x = 0.15), to the transition from the normal ferroelectric state to the relaxor ferroelectric one (at x ≥ 0.025), and to the disappearance of temperature hysteresis of dependences of the relative dielectric permittivity. It has been hypothesized that a tricritical point is present near x ˜ 0.125 in the x-T phase diagram of the studied solid solutions.

  7. Determination of 2-isovaleryl-1,3-indandione with 2, 4-dinitro-phenylhydrazine

    USGS Publications Warehouse

    Menzie, C.M.; Adomaitis, V.A.; Reichel, W.L.

    1962-01-01

    At present, three 2-alkyl-1,3-indandiones (PMP, pival, and diphacinon) are widely used as rodenticides. Because analytical procedures now in use are empirical and do not furnish adequate or positive means for distinguishing among these closely related compounds, studies were undertaken to develop a sensitive and specific method for the determination of PMP. The relation between KCN and the 2,4-dinitrophenylhydrazone of PMP was investigated and shown to be sensitive and specific. A deeply colored solution is produced with an absorption maximum at 540 mu. This solution obeys Beer?s law over a wide range. The molar absorptivity for the developed color was calculated to be 3.0 X 104. This reaction can be used also as a spot test to detect as little as 1 ug. of PMP.

  8. 10 CFR 960.3-1-4-2 - Site nomination for characterization.

    Code of Federal Regulations, 2010 CFR

    2010-01-01

    ... 10 Energy 4 2010-01-01 2010-01-01 false Site nomination for characterization. 960.3-1-4-2 Section 960.3-1-4-2 Energy DEPARTMENT OF ENERGY GENERAL GUIDELINES FOR THE PRELIMINARY SCREENING OF POTENTIAL SITES FOR A NUCLEAR WASTE REPOSITORY Implementation Guidelines § 960.3-1-4-2 Site nomination...

  9. 10 CFR 960.3-2-1 - Site screening for potentially acceptable sites.

    Code of Federal Regulations, 2010 CFR

    2010-01-01

    ... 10 Energy 4 2010-01-01 2010-01-01 false Site screening for potentially acceptable sites. 960.3-2-1 Section 960.3-2-1 Energy DEPARTMENT OF ENERGY GENERAL GUIDELINES FOR THE PRELIMINARY SCREENING OF POTENTIAL SITES FOR A NUCLEAR WASTE REPOSITORY Implementation Guidelines § 960.3-2-1 Site screening...

  10. 10 CFR 960.3-1-2 - Diversity of rock types.

    Code of Federal Regulations, 2010 CFR

    2010-01-01

    ... 10 Energy 4 2010-01-01 2010-01-01 false Diversity of rock types. 960.3-1-2 Section 960.3-1-2 Energy DEPARTMENT OF ENERGY GENERAL GUIDELINES FOR THE PRELIMINARY SCREENING OF POTENTIAL SITES FOR A NUCLEAR WASTE REPOSITORY Implementation Guidelines § 960.3-1-2 Diversity of rock types....

  11. 10 CFR 960.3-1-2 - Diversity of rock types.

    Code of Federal Regulations, 2014 CFR

    2014-01-01

    ... 10 Energy 4 2014-01-01 2014-01-01 false Diversity of rock types. 960.3-1-2 Section 960.3-1-2... NUCLEAR WASTE REPOSITORY Implementation Guidelines § 960.3-1-2 Diversity of rock types. Consideration shall be given to a variety of geologic media in which sites for the development of repositories may...

  12. 10 CFR 960.3-1-2 - Diversity of rock types.

    Code of Federal Regulations, 2012 CFR

    2012-01-01

    ... 10 Energy 4 2012-01-01 2012-01-01 false Diversity of rock types. 960.3-1-2 Section 960.3-1-2... NUCLEAR WASTE REPOSITORY Implementation Guidelines § 960.3-1-2 Diversity of rock types. Consideration shall be given to a variety of geologic media in which sites for the development of repositories may...

  13. 10 CFR 960.3-1-2 - Diversity of rock types.

    Code of Federal Regulations, 2013 CFR

    2013-01-01

    ... 10 Energy 4 2013-01-01 2013-01-01 false Diversity of rock types. 960.3-1-2 Section 960.3-1-2... NUCLEAR WASTE REPOSITORY Implementation Guidelines § 960.3-1-2 Diversity of rock types. Consideration shall be given to a variety of geologic media in which sites for the development of repositories may...

  14. 10 CFR 960.3-1-2 - Diversity of rock types.

    Code of Federal Regulations, 2011 CFR

    2011-01-01

    ... 10 Energy 4 2011-01-01 2011-01-01 false Diversity of rock types. 960.3-1-2 Section 960.3-1-2... NUCLEAR WASTE REPOSITORY Implementation Guidelines § 960.3-1-2 Diversity of rock types. Consideration shall be given to a variety of geologic media in which sites for the development of repositories may...

  15. 26 CFR 2.1-3 - Requirements as to vessel operations.

    Code of Federal Regulations, 2012 CFR

    2012-04-01

    ... 26 Internal Revenue 14 2012-04-01 2012-04-01 false Requirements as to vessel operations. 2.1-3 Section 2.1-3 Internal Revenue INTERNAL REVENUE SERVICE, DEPARTMENT OF THE TREASURY (CONTINUED) INCOME TAX (CONTINUED) MARITIME CONSTRUCTION RESERVE FUND § 2.1-3 Requirements as to vessel operations. Section 511...

  16. 26 CFR 2.1-3 - Requirements as to vessel operations.

    Code of Federal Regulations, 2014 CFR

    2014-04-01

    ... 26 Internal Revenue 14 2014-04-01 2013-04-01 true Requirements as to vessel operations. 2.1-3 Section 2.1-3 Internal Revenue INTERNAL REVENUE SERVICE, DEPARTMENT OF THE TREASURY (CONTINUED) INCOME TAX (CONTINUED) MARITIME CONSTRUCTION RESERVE FUND § 2.1-3 Requirements as to vessel operations. Section 511...

  17. (R)-3,3-Diethyl-1-(2-hy-droxy-1-phenyl-eth-yl)piperidin-2-one.

    PubMed

    Romero, Oscar; Ramírez, Johana; Terán, Joel L; Flores-Alamo, Marcos; Juárez, Jorge R

    2012-08-01

    In the title compound C(17)H(25)NO(2), the piperidin-2-one ring adopts an envelope conformation with the C atom in the 5-position as the flap. The crystal packing is stabilized by inter-molecular O-H⋯O hydrogen bonds, building a infinite chain along the b-axis direction. C-H⋯π inter-actions further stabilize the crystal packing.

  18. Tunable epitaxial growth of magnetoresistive La2/3Sr1/3MnO3 thin films

    NASA Astrophysics Data System (ADS)

    Fontcuberta, J.; Bibes, M.; Martínez, B.; Trtik, V.; Ferrater, C.; Sánchez, F.; Varela, M.

    1999-04-01

    We report on the growth of epitaxial La2/3Sr1/3MnO3 thin films on buffered Si(001) substrates. We show that a suitable choice of the buffer heterostructure allows one to obtain epitaxial (00h), (0hh), and (hhh) manganite thin films. The magnetotransport properties are investigated and we have found that the low-field magnetoresistance is directly related to the width of the normal-to-plane rocking curves, irrespective of the film orientation. The magnetic anisotropy of these films has also been determined.

  19. Double photoionization of helium from the 1s2p {}^{3}{\\rm{P}} excited state

    NASA Astrophysics Data System (ADS)

    Li, Y.; Pindzola, M. S.; Colgan, J.

    2016-10-01

    Time-dependent close-coupling (TDCC) calculations are carried out for the double photoionization of Helium in the 1{{s}}2{{p}}{}3{{P}} excited state. TDCC {l}1{l}2L results are presented for the total and energy differential cross sections for the 1{{s}}2{{p}}{}3{{P}} term. TDCC {l}1{j}1{l}2{j}2J results are presented for the total and energy differential cross sections for the 1{{s}}2{{p}}{}3{{{P}}}{0,1,2} levels. Differences found between the level resolved double photoionization cross sections are due to varying degrees of continuum correlation found in the outgoing two electrons.

  20. Methionine Regulates mTORC1 via the T1R1/T1R3-PLCβ-Ca2+-ERK1/2 Signal Transduction Process in C2C12 Cells

    PubMed Central

    Zhou, Yuanfei; Ren, Jiao; Song, Tongxing; Peng, Jian; Wei, Hongkui

    2016-01-01

    The mammalian target of rapamycin complex 1 (mTORC1) integrates amino acid (AA) availability to support protein synthesis and cell growth. Taste receptor type 1 member (T1R) is a G protein-coupled receptor that functions as a direct sensor of extracellular AA availability to regulate mTORC1 through Ca2+ stimulation and extracellular signal–regulated kinases 1 and 2 (ERK1/2) activation. However, the roles of specific AAs in T1R1/T1R3-regulated mTORC1 are poorly defined. In this study, T1R1 and T1R3 subunits were expressed in C2C12 myotubes, and l-AA sensing was accomplished by T1R1/T1R3 to activate mTORC1. In response to l-AAs, such as serine (Ser), arginine (Arg), threonine (Thr), alanine (Ala), methionine (Met), glutamine (Gln), and glycine (Gly), Met induced mTORC1 activation and promoted protein synthesis. Met also regulated mTORC1 via T1R1/T1R3-PLCβ-Ca2+-ERK1/2 signal transduction. Results revealed a new role for Met-regulated mTORC1 via an AA receptor. Further studies should be performed to determine the role of T1R1/T1R3 in mediating extracellular AA to regulate mTOR signaling and to reveal its mechanism. PMID:27727170

  1. Distinct Human and Mouse Membrane Trafficking Systems for Sweet Taste Receptors T1r2 and T1r3

    PubMed Central

    Shimizu, Madoka; Goto, Masao; Kawai, Takayuki; Yamashita, Atsuko; Kusakabe, Yuko

    2014-01-01

    The sweet taste receptors T1r2 and T1r3 are included in the T1r taste receptor family that belongs to class C of the G protein-coupled receptors. Heterodimerization of T1r2 and T1r3 is required for the perception of sweet substances, but little is known about the mechanisms underlying this heterodimerization, including membrane trafficking. We developed tagged mouse T1r2 and T1r3, and human T1R2 and T1R3 and evaluated membrane trafficking in human embryonic kidney 293 (HEK293) cells. We found that human T1R3 surface expression was only observed when human T1R3 was coexpressed with human T1R2, whereas mouse T1r3 was expressed without mouse T1r2 expression. A domain-swapped chimera and truncated human T1R3 mutant showed that the Venus flytrap module and cysteine-rich domain (CRD) of human T1R3 contain a region related to the inhibition of human T1R3 membrane trafficking and coordinated regulation of human T1R3 membrane trafficking. We also found that the Venus flytrap module of both human T1R2 and T1R3 are needed for membrane trafficking, suggesting that the coexpression of human T1R2 and T1R3 is required for this event. These results suggest that the Venus flytrap module and CRD receive taste substances and play roles in membrane trafficking of human T1R2 and T1R3. These features are different from those of mouse receptors, indicating that human T1R2 and T1R3 are likely to have a novel membrane trafficking system. PMID:25029362

  2. Distinct human and mouse membrane trafficking systems for sweet taste receptors T1r2 and T1r3.

    PubMed

    Shimizu, Madoka; Goto, Masao; Kawai, Takayuki; Yamashita, Atsuko; Kusakabe, Yuko

    2014-01-01

    The sweet taste receptors T1r2 and T1r3 are included in the T1r taste receptor family that belongs to class C of the G protein-coupled receptors. Heterodimerization of T1r2 and T1r3 is required for the perception of sweet substances, but little is known about the mechanisms underlying this heterodimerization, including membrane trafficking. We developed tagged mouse T1r2 and T1r3, and human T1R2 and T1R3 and evaluated membrane trafficking in human embryonic kidney 293 (HEK293) cells. We found that human T1R3 surface expression was only observed when human T1R3 was coexpressed with human T1R2, whereas mouse T1r3 was expressed without mouse T1r2 expression. A domain-swapped chimera and truncated human T1R3 mutant showed that the Venus flytrap module and cysteine-rich domain (CRD) of human T1R3 contain a region related to the inhibition of human T1R3 membrane trafficking and coordinated regulation of human T1R3 membrane trafficking. We also found that the Venus flytrap module of both human T1R2 and T1R3 are needed for membrane trafficking, suggesting that the coexpression of human T1R2 and T1R3 is required for this event. These results suggest that the Venus flytrap module and CRD receive taste substances and play roles in membrane trafficking of human T1R2 and T1R3. These features are different from those of mouse receptors, indicating that human T1R2 and T1R3 are likely to have a novel membrane trafficking system.

  3. 40 CFR 721.10074 - Acetic acid, 2-chloro-, 1-(3,3-dimethylcyclohexyl)ethyl ester.

    Code of Federal Regulations, 2014 CFR

    2014-07-01

    ...-dimethylcyclohexyl)ethyl ester. 721.10074 Section 721.10074 Protection of Environment ENVIRONMENTAL PROTECTION AGENCY... Specific Chemical Substances § 721.10074 Acetic acid, 2-chloro-, 1-(3,3-dimethylcyclohexyl)ethyl ester. (a... acetic acid, 2-chloro-, 1-(3,3-dimethylcyclohexyl)ethyl ester (PMN P-05-568; CAS No. 477218-59-0)...

  4. 40 CFR 721.10074 - Acetic acid, 2-chloro-, 1-(3,3-dimethylcyclohexyl)ethyl ester.

    Code of Federal Regulations, 2011 CFR

    2011-07-01

    ...-dimethylcyclohexyl)ethyl ester. 721.10074 Section 721.10074 Protection of Environment ENVIRONMENTAL PROTECTION AGENCY... Specific Chemical Substances § 721.10074 Acetic acid, 2-chloro-, 1-(3,3-dimethylcyclohexyl)ethyl ester. (a... acetic acid, 2-chloro-, 1-(3,3-dimethylcyclohexyl)ethyl ester (PMN P-05-568; CAS No. 477218-59-0)...

  5. 40 CFR 721.10074 - Acetic acid, 2-chloro-, 1-(3,3-dimethylcyclohexyl)ethyl ester.

    Code of Federal Regulations, 2013 CFR

    2013-07-01

    ...-dimethylcyclohexyl)ethyl ester. 721.10074 Section 721.10074 Protection of Environment ENVIRONMENTAL PROTECTION AGENCY... Specific Chemical Substances § 721.10074 Acetic acid, 2-chloro-, 1-(3,3-dimethylcyclohexyl)ethyl ester. (a... acetic acid, 2-chloro-, 1-(3,3-dimethylcyclohexyl)ethyl ester (PMN P-05-568; CAS No. 477218-59-0)...

  6. 40 CFR 721.10074 - Acetic acid, 2-chloro-, 1-(3,3-dimethylcyclohexyl)ethyl ester.

    Code of Federal Regulations, 2012 CFR

    2012-07-01

    ...-dimethylcyclohexyl)ethyl ester. 721.10074 Section 721.10074 Protection of Environment ENVIRONMENTAL PROTECTION AGENCY... Specific Chemical Substances § 721.10074 Acetic acid, 2-chloro-, 1-(3,3-dimethylcyclohexyl)ethyl ester. (a... acetic acid, 2-chloro-, 1-(3,3-dimethylcyclohexyl)ethyl ester (PMN P-05-568; CAS No. 477218-59-0)...

  7. Synthesis and Antiproliferative Activity of [RuCp(PPh3)2(HdmoPTA)](OSO2CF3)2 (HdmoPTA = 3,7-H-3,7-Dimethyl-1,3,7-triaza-5-phosphabicyclo[3.3.1]nonane).

    PubMed

    Mendoza, Zenaida; Lorenzo-Luis, Pablo; Serrano-Ruiz, Manuel; Martín-Batista, Elva; Padrón, José M; Scalambra, Franco; Romerosa, Antonio

    2016-08-15

    The complex [RuCp(PPh3)2(HdmoPTA)](OSO2CF3)2 (2; HdmoPTA = 3,7-H-3,7-dimethyl-1,3,7-triaza-5-phosphabicyclo[3.3.1]nonane) was synthesized and characterized. Its crystal structure was determined by single-crystal X-ray diffraction. The complex showed a more potent antiproliferative activity than cisplatin against a representative panel of human cancer cells. PMID:27462992

  8. The role of aldo-keto reductase 1C3 (AKR1C3)-mediated prostaglandin D2 (PGD2) metabolism in keloids.

    PubMed

    Mantel, Alon; Newsome, Austin; Thekkudan, Theresa; Frazier, Robert; Katdare, Meena

    2016-01-01

    Keloids are progressively expanding scars, mostly prevalent in individuals of African descent. Previous data identified increased mast cell number and activation state in keloids suggesting a role in disease progression. The major eicosanoid secreted by mast cells is prostaglandin D2 (PGD2), a relatively unstable pro-inflammatory mediator which can be spontaneously converted to 15-deoxy-(Delta12,14)-prostaglandin J2(15d-PGJ2) or enzymatically metabolized to 9α,11β-PGF2 by aldo-keto reductase 1C3 (AKR1C3). In this work, we investigated the possible role of PGD2 and its metabolites in keloids using CRL1762 keloid fibroblasts (KF) and immunohistochemical staining. Our data suggested approximately 3-fold increase of tryptase-positive mast cell count in keloids compared with normal skin. Furthermore, AKR1C3 was overexpressed in the fibrotic area of keloids while relatively weak staining detected in normal skin. Metabolism of PGD2 to 9α,11β-PGF2 by both, KF and normal fibroblasts, was dependent on AKR1C3 as this reaction was attenuated in the presence of the AKR1C3 inhibitor, 2'-hydroxyflavanone, or in cells with decreased AKR1C3 expression. 15d-PGJ2, but not the other tested PGs, inhibited KF proliferation, attenuated KF-mediated collagen gel contraction and increased caspase-3 activation. In addition, treatment with 15d-PGJ2 activated P38-MAPK, induced reactive oxygen species and upregulated superoxide dismutase-1 (SOD-1). Finally, inhibition of P38-MAPK further augmented 15d-PGJ2-induced caspase-3 cleavage and attenuated its effect on SOD-1 transcription. This work suggests that localized dual inhibition of AKR1C3 and P38-MAPK may inhibit keloid progression. Inhibiting AKR1C3 activity may generate oxidative environment due to redirection of PGD2 metabolism towards 15d-PGJ2 while inhibition of P38-MAPK will sensitize keloid cells to ROS-induced apoptosis. PMID:26308156

  9. CX3CL1/CX3CR1 and CCL2/CCR2 Chemokine/Chemokine Receptor Complex in Patients with AMD

    PubMed Central

    Falk, Mads Krüger; Singh, Amardeep; Faber, Carsten; Nissen, Mogens Holst; Hviid, Thomas; Sørensen, Torben Lykke

    2014-01-01

    Purpose The chemokine receptors CX3CR1 and CCR2 have been implicated in the development of age-related macular degeneration (AMD). The evidence is mainly derived from experimental cell studies and murine models of AMD. The purpose of this study was to investigate the association between expression of CX3CR1 and CCR2 on different leukocyte subsets and AMD. Furthermore we measured the plasma levels of ligands CX3CL1 and CCL2. Methods Patients attending our department were asked to participate in the study. The diagnosis of AMD was based on clinical examination and multimodal imaging techniques. Chemokine plasma level and chemokine receptor expression were measured by flow-cytometry. Results A total of 150 participants were included. We found a significantly lower expression of CX3CR1 on CD8+ T cells in the neovascular AMD group compared to the control group (p = 0.04). We found a significant positive correlation between CCR2 and CX3CR1 expression on CD8+ cells (r = 0.727, p = 0.0001). We found no difference in plasma levels of CX3CL1 and CCL2 among the groups. Conclusions Our results show a down regulation of CX3CR1 on CD8+ cells; this correlated to a low expression of CCR2 on CD8+ cells. Further studies are needed to elucidate the possible role of this cell type in AMD development. PMID:25503251

  10. The B(1/2 2P3/2) --> X(1/2 2Sigma + ) transition in XeI

    NASA Astrophysics Data System (ADS)

    Radzykewycz, Dan T.; Tellinghuisen, Joel

    1996-07-01

    The B(1/2 2P3/2)→X(1/2 2Σ+) transition in XeI (2385-2490 Å) is recorded at high resolution for the single isotopomer 136Xe127I, using a Tesla discharge source and a CCD array detector. The high signal-to-noise capabilities of the detector make it possible to measure the discrete vibrational structure in this system for the first time. The assignments consist of 86 v'-v″ bands spanning 15 upper-state levels (assigned as v'=3-17) and 17 lower-state levels (tentatively assigned as v″=0-16). A vibrational analysis yields the following spectroscopic constants (cm-1): ΔTe=40 047.8, ωe'=110.6, ωexe'=0.217, ωe″=24.0, ωexe″=0.66. From a near-dissociation analysis, the X state has a dissociation energy (De) of 267±5 cm-1 and supports 28 bound vibrational levels. However, it is likely that our lowest observed v″ level is not v″=0, so these values should be considered lower limits. The potential energy curves are modeled by a Morse-RKR function for the X state and a Rittner function for the B state. Trial-and-error Franck-Condon calculations are used to locate the B- and X-state potential curves relative to each other, fixing the X-state internuclear distance Re at a value ˜0.7 Å larger than that for the B state. Bound-free simulations of the low-resolution spectrum indicate that the X potential must be significantly steeper in the Franck-Condon region than found from previous scattering studies.

  11. 1-(3-Acetyl-phen-yl)-2-(2-oxidonaph-thalen-1-yl)diazen-1-ium.

    PubMed

    Bougueria, Hassiba; Benosmane, Ali; Benaouida, Mohamed Amine; Bouchoul, Abd El Kader; Bouaoud, Salah Eddine

    2013-01-01

    The title compound, C18H14N2O2, crystallized with two independent zwitterion mol-ecules (A and B) in the asymmetric unit. They are both close to planar, the dihedral angle between the benzene ring and naphthalene ring system being 4.30 (9)° in A and 4.69 (9)° in B. Each mol-ecule has an E conformation with respect to the azo double bond. In each of the independent mol-ecules, an intra-molecular N-H⋯O hydrogen bond forms an S(6) ring motif. In the crystal, mol-ecules are linked via C-H⋯O hydrogen bonds, forming -A-A-A- and -B-B-B- chains parallel to one another and propagating along the a-axis direction. There are also π-π inter-actions between adjacent mol-ecules involving benzene and naphthalene rings [centroid-centroid distance of 3.626 (3) Å for adjacent A mol-ecules and 3.652 (3) Å for adjacent B mol-ecules]. PMID:24046627

  12. Interaction between carbon oxides, hydrogen and Fe2O3 and A n + 1Fe n O3 n + 1 (A = Gd, Sr, n = 1, 2, …, ∞)

    NASA Astrophysics Data System (ADS)

    Sheshko, T. F.; Serov, Yu. M.; Kryuchkova, T. A.; Khairullina, I. A.; Chislova, I. V.; Zvereva, I. A.

    2016-06-01

    The interaction between carbon oxides and hydrogen and surfaces of iron(III) oxide and A n + 1Fe n O3 n + 1 (where A = Gd, Sr, and n = 1, 2, …, ∞ is the number of perovskite layers) complex oxides is studied for the first time by means of thermal programmed desorption. It is shown that carbon oxides are adsorbed in molecular form with the formation of carbonate-carboxylate complexes, and in dissociative form. The ratios of the adsorption forms of both oxides are determined by the structure of ferrites, the number of perovskite layers, and the valence state and coordinative saturation of iron. The presence of weakly and strongly bonded hydrogen forms is established, and it is suggested that hydrogen dissolves in the bulk of a perovskite.

  13. The 5-HT2B receptor gene maps to 2q36.3-2q37.1

    SciTech Connect

    Le Coniat, M.; Berger, R.; Choi, Doo-Sup; Maroteaux, L.

    1996-02-15

    This article reports on the localization of the serotonin 5-HT2B receptor to human chromosome 2q36.3-2q37.1 using fluorescence in situ hybridization. The structure and function of this gene, as well as its expression, remain to be investigated in the human. 9 refs.

  14. Microwave Loss in the High-Performance Dielectric Ba(Zn1/3Ta2/3)O3 at 4.2 K

    NASA Astrophysics Data System (ADS)

    Liu, Lingtao; Flores, Marco; Newman, Nathan

    2012-12-01

    Temperature- and magnetic-field-dependent measurements of the loss tangent in Ba(Zn1/3Ta2/3)O3 doped with transition metals (Mn, Ni) are compared to those from samples doped with other impurities (Cd, Ga, Mg, and Zr). These results, combined with pulsed electron paramagnetic resonance measurements, show conclusively that microwave loss in transition-metal-doped Ba(Zn1/3Ta2/3)O3 at cryogenic temperatures is attributable to resonant spin excitations of unpaired transition-metal d electrons in isolated atoms (light doping) or exchange coupled clusters (moderate to high doping), a mechanism that differs from the usual suspects.

  15. Variable temperature pressure broadening of the 4(1,4)-3(2,1) transition of H2O by O2 and N2

    NASA Technical Reports Server (NTRS)

    Goyette, Thomas M.; Delucia, Frank C.; Dutta, J. M.; Jones, C. R.

    1993-01-01

    The O2 and N2 pressure-broadening parameters of the 4(1,4)-3(2,1) rotational transition in the ground vibrational state of H2O have been measured in the temperature range between 100 and 520 K. Above 250 K the measurements were made in an equilibrium cell. Below 250 K a cell, which uses collisional cooling to circumvent the temperature limits imposed by the vapor pressure of the sample gas, was used. The data were fitted to an exponential temperature-dependence for data above 150 K with resultant n values of 0.81(3) for O2 and 0.70(3) for N2, where the entries in parentheses represent the error in the last significant figure of the parameter. Below 150 K the measured pressure-broadening parameters are smaller than those calculated using these values of n.

  16. Process for the preparation of protected 3-amino-1,2-dihydroxypropane acetal and derivatives thereof

    DOEpatents

    Hollingsworth, Rawle I.; Wang, Guijun

    2000-01-01

    A process for producing protected 3-amino-1,2-dihydroxypropane acetal, particularly in chiral forms, for use as an intermediate in the preparation of various 3-carbon compounds which are chiral. In particular, the present invention relates to the process for preparation of 3-amino-1,2-dihydroxypropane isopropylidene acetal. The protected 3-amino-1,2-dihydroxypropane acetal is a key intermediate to the preparation of chiral 3-carbon compounds which in turn are intermediates to various pharmaceuticals.

  17. Alteration of the SETBP1 Gene and Splicing Pathway Genes SF3B1, U2AF1, and SRSF2 in Childhood Acute Myeloid Leukemia

    PubMed Central

    Choi, Hyun-Woo; Kim, Hye-Ran; Baek, Hee-Jo; Kook, Hoon; Cho, Duck; Shin, Jong-Hee; Suh, Soon-Pal; Ryang, Dong-Wook

    2015-01-01

    Background Recurrent somatic SET-binding protein 1 (SETBP1) and splicing pathway gene mutations have recently been found in atypical chronic myeloid leukemia and other hematologic malignancies. These mutations have been comprehensively analyzed in adult AML, but not in childhood AML. We investigated possible alteration of the SETBP1, splicing factor 3B subunit 1 (SF3B1), U2 small nuclear RNA auxiliary factor 1 (U2AF1), and serine/arginine-rich splicing factor 2 (SRSF2) genes in childhood AML. Methods Cytogenetic and molecular analyses were performed to reveal chromosomal and genetic alterations. Sequence alterations in the SETBP1, SF3B1, U2AF1, and SRSF2 genes were examined by using direct sequencing in a cohort of 53 childhood AML patients. Results Childhood AML patients did not harbor any recurrent SETBP1 gene mutations, although our study did identify a synonymous mutation in one patient. None of the previously reported aberrations in the mutational hotspot of SF3B1, U2AF1, and SRSF2 were identified in any of the 53 patients. Conclusions Alterations of the SETBP1 gene or SF3B1, U2AF1, and SRSF2 genes are not common genetic events in childhood AML, implying that the mutations are unlikely to exert a driver effect in myeloid leukemogenesis during childhood. PMID:25553291

  18. Determination of magic wavelengths for the 7 s 1/2 2S -7 p 3/2, 1/2 2P transitions in Fr

    NASA Astrophysics Data System (ADS)

    Singh, Sukhjit; Sahoo, B. K.; Arora, Bindiya

    2016-08-01

    Magic wavelengths (λmagic) for the 7 S1 /2-7 P1 /2 ,3 /2 transitions (D lines) in Fr were reported by Dammalapati et al. [U. Dammalapati, K. Harada, and Y. Sakemi, Phys. Rev. A 93, 043407 (2016), 10.1103/PhysRevA.93.043407]. These λmagic were determined by plotting dynamic polarizabilities (α ) of the involved states with the above transitions against a desired range of wavelengths. Electric dipole (E1) matrix elements listed in [J. E. Sansonetti, J. Phys. Chem. Ref. Data 36, 497 (2007), 10.1063/1.2719251], from the measured lifetimes of the 7 P1 /2 ,3 /2 states and from the calculations considering core-polarization effects in the relativistic Hartree-Fock (HFR) method, were used to determine α . However, contributions from core correlation effects and from the E1 matrix elements of the 7 P -7 S , 7 P -8 S , and 7 P -6 D transitions to α of the 7 P states were ignored. In this work, we demonstrate importance of these contributions and improve accuracies of α further by replacing the E1 matrix elements taken from the HFR method by the values obtained employing relativistic coupled-cluster theory. Our static α are found to be in excellent agreement with the other available theoretical results, whereas substituting the E1 matrix elements used by Dammalapati et al. gives very small α values for the 7 P states. Owing to this, we find disagreement in λmagic reported by Dammalapati et al. for linearly polarized light, especially at wavelengths close to the D lines and in the infrared region. As a consequence, a λmagic reported at 797.75 nm which was seen supporting a blue detuned trap in their work is now estimated at 771.03 nm and is supporting a red detuned trap. Also, none of our results match with the earlier results for circularly polarized light. Moreover, our static values of α will be very useful for guiding experiments to carry out their measurements.

  19. SUZUKI-MIYAURA COUPLING REACTIONS OF 3,5-DICHLORO-1,2,4-THIADIAZOLE

    PubMed Central

    Farahat, Abdelbasset A.; Boykin, David W.

    2014-01-01

    3,5-Dichloro-1,2,4-thiadiazole was allowed to react with different arylboronic acids under different Suzuki-Miyaura coupling conditions: at room temperature 5-aryl-3-chloro-1,2,4-thiadiazoles were obtained and at toluene reflux temperature the products were 3,5-diaryl-1,2,4-thiadiazoles. Sequential coupling reactions lead to 3,5-diaryl-1,2,4-thiadiazoles with non-identical aryl groups. The structure of 3-methoxy-5-(4-methoxyphenyl)-1,2,4-thiadiazole was established from X-ray crystallographic data. PMID:24644388

  20. Amino­silanes derived from 1H-benzimidazole-2(3H)-thione

    PubMed Central

    Palomo-Molina, Juliana; García-Báez, Efrén V.; Contreras, Rosalinda; Pineda-Urbina, Kayim; Ramos-Organillo, Angel

    2015-01-01

    Two new mol­ecular structures, namely 1,3-bis­(tri­methyl­silyl)-1H-benzimidazole-2(3H)-thione, C13H22N2SSi2, (2), and 1-tri­methyl­silyl-1H-benzimidazole-2(3H)-thione, C10H14N2SSi, (3), are reported. Both systems were derived from 1H-benzimidazole-2(3H)-thione. Noncovalent C—H⋯π inter­actions between the centroid of the benzmidazole system and the SiMe3 groups form helicoidal arrangements in (2). Dimerization of (3) results in the formation of R 2 2(8) rings via N—H⋯S inter­actions, along with parallel π–π inter­actions between imidazole and benzene rings. PMID:26322611

  1. Aminosilanes derived from 1H-benzimidazole-2(3H)-thione.

    PubMed

    Palomo-Molina, Juliana; García-Báez, Efrén V; Contreras, Rosalinda; Pineda-Urbina, Kayim; Ramos-Organillo, Angel

    2015-09-01

    Two new molecular structures, namely 1,3-bis(trimethylsilyl)-1H-benzimidazole-2(3H)-thione, C13H22N2SSi2, (2), and 1-trimethylsilyl-1H-benzimidazole-2(3H)-thione, C10H14N2SSi, (3), are reported. Both systems were derived from 1H-benzimidazole-2(3H)-thione. Noncovalent C-H···π interactions between the centroid of the benzmidazole system and the SiMe3 groups form helicoidal arrangements in (2). Dimerization of (3) results in the formation of R2(2)(8) rings via N-H···S interactions, along with parallel π-π interactions between imidazole and benzene rings.

  2. Atomic displacements in PbMg1/3Nb2/3O3 under high pressures

    NASA Astrophysics Data System (ADS)

    Rotaru, G.-M.; Gvasaliya, S. N.; Pomjakushin, V.; Roessli, B.; Strässle, Th; Lushnikov, S. G.; Shaplygina, T. A.; Günter, P.

    2008-03-01

    We have investigated the chemical structure of PbMg1/3Nb2/3O3 (PMN) relaxor ferroelectric at room temperature under hydrostatic pressures up to 8.37 GPa and at ambient pressure as a function of temperature. The refinement of the crystal structure shows that the amplitude of the displacements of the Pb ions from the (0 0 0) position decreases with increasing pressure. On the other hand, the thermal displacement parameters of Mg/Nb ions are almost insensitive to pressure. The decrease in the Pb displacements correlates with an increase in the anisotropy in the thermal displacement parameter of the O ions. These results are in agreement with those obtained in PbMg1/3Ta2/3O3 (PMT) and show further evidence that the Pb displacements play an important role in the relaxor behavior. The aim of this study is to clarify the microscopic origin for the anomalous pressure effects observed in relaxors as well as to provide new data for the understanding of this class of materials.

  3. Thiazolo[3,2-a]benzimidazol-3(2H)-one derivatives: Structure-activity relationships of selective nucleotide pyrophosphatase/phosphodiesterase1 (NPP1) inhibitors.

    PubMed

    Lee, Sang-Yong; Perotti, Arianna; De Jonghe, Steven; Herdewijn, Piet; Hanck, Theodor; Müller, Christa E

    2016-07-15

    Ecto-nucleotide pyrophosphatase/phosphodiesterase1 (NPP1) is the most important member of the NPP family, which consists of seven closely related proteins (NPP1-NPP7). This glycoprotein is a membrane-associated or secreted enzyme, which catalyzes the hydrolysis of a wide range of phosphodiester bonds, e.g., in nucleoside triphosphates, dinucleotides and nucleotide sugars. NPP1 plays a crucial role in various physiological functions including bone mineralization, soft-tissue calcification, and insulin receptor signaling. Recently, an upregulated expression of NPP1 has been observed in astrocytic brain cancers. Therefore, NPP1 has been proposed as a novel drug target for the treatment of glioblastoma. Despite their therapeutic potential, only few NPP1 inhibitors have been reported to date, which are in most cases non- or only moderately selective. The best investigated NPP1 inhibitors so far are nucleotide derivatives and analogs, however they are not orally bioavailable due to their high polarity. We identified thiazolo[3,2-a]benzimidazol-3(2H)-one derivatives as a new class of NPP1 inhibitors with drug-like properties. Among the 25 derivatives investigated in the present study, 2-[(5-iodo-2-furanyl)methylene]thiazolo[3,2-a]benzimidazol-3(2H)-one (17) was found to be the most potent NPP1 inhibitor with a Ki value of 467nM versus ATP as a substrate and an un-competitive mechanism of inhibition. Compound 17 did not inhibit other human ecto-nucleotidases, including NTPDase1 (CD39), NTPDases2-3, NPP2, NPP3, tissue-nonspecific alkaline phosphatase (TNAP), and ecto-5'-nucleotidase (eN, CD73), and is thus highly selective for NPP1. PMID:27265686

  4. O2(a1Δ) quenching in O/O2/O3/CO2/He/Ar mixtures

    NASA Astrophysics Data System (ADS)

    Azyazov, V. N.; Mikheyev, P. A.; Postell, D.; Heaven, M. C.

    2010-02-01

    The development of discharge singlet oxygen generators (DSOG's) that can operate at high pressures is required for the power scaling of the discharge oxygen iodine laser. In order to achieve efficient high-pressure DSOG operation it is important to understand the mechanisms by which singlet oxygen (O2(a1Δ)) is quenched in these devices. It has been proposed that three-body deactivation processes of the type O2(a1Δ))+O+M-->2O2+M provide significant energy loss channels. To further explore these reactions the physical and reactive quenching of O2(a1Δ)) in O(3P)/O2/O3/CO2/He/Ar mixtures has been investigated. Oxygen atoms and singlet oxygen molecules were produced by the 248 nm laser photolysis of ozone. The kinetics of O2(a1Δ)) quenching were followed by observing the 1268 nm fluorescence of the O2 a1Δ-X3Ε transition. Fast quenching of O2(a1Δ)) in the presence of oxygen atoms and molecules was observed. The mechanism of the process has been examined using kinetic models, which indicate that quenching by vibrationally excited ozone is the dominant reaction.

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

    PubMed

    Sang, Qiu-Guang; Yang, Jing-Kui

    2011-09-01

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

  6. Formation of the 2,3-Dimethyl-1-silacycloprop-2-enylidene Molecule via the Crossed Beam Reaction of the Silylidyne Radical (SiH; X(2)Π) with Dimethylacetylene (CH3CCCH3; X(1)A1g).

    PubMed

    Yang, Tao; Thomas, Aaron M; Dangi, Beni B; Kaiser, Ralf I; Wu, Mei-Hung; Sun, Bing-Jian; Chang, Agnes H H

    2016-09-22

    We carried out crossed molecular beam experiments and electronic structure calculations to unravel the chemical dynamics of the reaction of the silylidyne(-d1) radical (SiH/SiD; X(2)Π) with dimethylacetylene (CH3CCCH3; X(1)A1g). The chemical dynamics were indirect and initiated by the barrierless addition of the silylidyne radical to both carbon atoms of dimethylacetylene forming a cyclic collision complex 2,3-dimethyl-1-silacyclopropenyl. This complex underwent unimolecular decomposition by atomic hydrogen loss from the silicon atom via a loose exit transition state to form the novel 2,3-dimethyl-1-silacycloprop-2-enylidene isomer in an overall exoergic reaction (experimentally: -29 ± 21 kJ mol(-1); computationally: -10 ± 8 kJ mol(-1)). An evaluation of the scattering dynamics of silylidyne with alkynes indicates that in each system, the silylidyne radical adds barrierlessly to one or to both carbon atoms of the acetylene moiety, yielding an acyclic or a cyclic collision complex, which can also be accessed via cyclization of the acyclic structures. The cyclic intermediate portrays the central decomposing complex, which fragments via hydrogen loss almost perpendicularly to the rotational plane of the decomposing complex exclusively from the silylidyne moiety via a loose exit transition state in overall weakly exoergic reaction leading to ((di)methyl-substituted) 1-silacycloprop-2-enylidenes (-1 to -13 kJ mol(-1) computationally; -12 ± 11 to -29 ± 21 kJ mol(-1) experimentally). Most strikingly, the reaction dynamics of the silylidyne radical with alkynes are very different from those of C1-C4 alkanes and C2-C4 alkenes, which do not react with the silylidyne radical at the collision energies under our crossed molecular beam apparatus, due to either excessive entrance barriers to reaction (alkanes) or overall highly endoergic reaction processes (alkenes). Nevertheless, molecules carrying carbon-carbon double bonds could react, if the carbon-carbon double bond is

  7. Formation of the 2,3-Dimethyl-1-silacycloprop-2-enylidene Molecule via the Crossed Beam Reaction of the Silylidyne Radical (SiH; X(2)Π) with Dimethylacetylene (CH3CCCH3; X(1)A1g).

    PubMed

    Yang, Tao; Thomas, Aaron M; Dangi, Beni B; Kaiser, Ralf I; Wu, Mei-Hung; Sun, Bing-Jian; Chang, Agnes H H

    2016-09-22

    We carried out crossed molecular beam experiments and electronic structure calculations to unravel the chemical dynamics of the reaction of the silylidyne(-d1) radical (SiH/SiD; X(2)Π) with dimethylacetylene (CH3CCCH3; X(1)A1g). The chemical dynamics were indirect and initiated by the barrierless addition of the silylidyne radical to both carbon atoms of dimethylacetylene forming a cyclic collision complex 2,3-dimethyl-1-silacyclopropenyl. This complex underwent unimolecular decomposition by atomic hydrogen loss from the silicon atom via a loose exit transition state to form the novel 2,3-dimethyl-1-silacycloprop-2-enylidene isomer in an overall exoergic reaction (experimentally: -29 ± 21 kJ mol(-1); computationally: -10 ± 8 kJ mol(-1)). An evaluation of the scattering dynamics of silylidyne with alkynes indicates that in each system, the silylidyne radical adds barrierlessly to one or to both carbon atoms of the acetylene moiety, yielding an acyclic or a cyclic collision complex, which can also be accessed via cyclization of the acyclic structures. The cyclic intermediate portrays the central decomposing complex, which fragments via hydrogen loss almost perpendicularly to the rotational plane of the decomposing complex exclusively from the silylidyne moiety via a loose exit transition state in overall weakly exoergic reaction leading to ((di)methyl-substituted) 1-silacycloprop-2-enylidenes (-1 to -13 kJ mol(-1) computationally; -12 ± 11 to -29 ± 21 kJ mol(-1) experimentally). Most strikingly, the reaction dynamics of the silylidyne radical with alkynes are very different from those of C1-C4 alkanes and C2-C4 alkenes, which do not react with the silylidyne radical at the collision energies under our crossed molecular beam apparatus, due to either excessive entrance barriers to reaction (alkanes) or overall highly endoergic reaction processes (alkenes). Nevertheless, molecules carrying carbon-carbon double bonds could react, if the carbon-carbon double bond is

  8. Shp2 suppresses the adipogenic differentiation of preadipocyte 3T3-L1 cells at an early stage

    PubMed Central

    Tao, J; Zheng, L; Meng, M; Li, Y; Lu, Z

    2016-01-01

    Tyrosine phosphatase protein Shp2 is a potential therapeutic target for obesity. However, the mechanism of Shp2 during adipogenesis is not fully understood. The present study investigated the role of Shp2 in the terminal differentiation of preadipocytes. The results showed that Shp2 suppressed adipocyte differentiation in 3T3-L1 cells; overexpression of Shp2 reduced lipid droplet production in 3T3-L1 cells, whereas Shp2 knockdown increased lipid droplet production in 3T3-L1 cells. Furthermore, inhibition of Shp2 activity also enhanced adipocyte differentiation. Interestingly, Shp2 expression was specifically decreased early during differentiation in response to stimulation with the dexamethasone–methylisobutylxanthine–insulin (DMI) hormone cocktail. During the first 2 days of differentiation, Shp2 overexpression impaired the DMI-induced phosphorylation of signal transducer and activator of transcription 3 (STAT3) in 3T3-L1 cells and blocked the peak expression of CCAAT/enhancer-binding proteins β and δ during preadipocyte differentiation. In conclusion, Shp2 downregulated the early stages of hormone-induced differentiation of 3T3-L1 cells and inhibited the expression of the first wave of transcription factors by suppressing the DMI-induced STAT3 signaling pathway. These discoveries point to a novel role of Shp2 during adipogenesis and support the hypothesis that Shp2 could be a therapeutic target for the control of obesity. PMID:27551539

  9. Analogues of Cis- and Transplatin with a Rich Solution Chemistry: cis-[PtCl2 (NH3 )(1-MeC-N3)] and trans-[PtI2 (NH3 )(1-MeC-N3)].

    PubMed

    Siebel, Sabine; Dammann, Claudia; Sanz Miguel, Pablo J; Drewello, Thomas; Kampf, Gunnar; Teubner, Natascha; Bednarski, Patrick J; Freisinger, Eva; Lippert, Bernhard

    2015-12-01

    Mono(nucleobase) complexes of the general composition cis-[PtCl2 (NH3 )L] with L=1-methylcytosine, 1-MeC (1 a) and L=1-ethyl-5-methylcytosine, as well as trans-[PtX2 (NH3 )(1-MeC)] with X=I (5 a) and X=Br (5 b) have been isolated and were characterized by X-ray crystallography. The Pt coordination occurs through the N3 atom of the cytosine in all cases. The diaqua complexes of compounds 1 a and 5 a, cis-[Pt(H2 O)2 (NH3 )(1-MeC)](2+) and trans-[Pt(H2 O)2 (NH3 )(1-MeC)](2+) , display a rich chemistry in aqueous solution, which is dominated by extensive condensation reactions leading to μ-OH- and μ-(1-MeC(-) -N3,N4)-bridged species and ready oxidation of Pt to mixed-valence state complexes as well as diplatinum(III) compounds, one of which was characterized by X-ray crystallography: h,t-[{Pt(NH3 )2 (OH)(1-MeC(-) -N3,N4)}2 ](NO3 )22 [NH4 ](NO3 )⋅2 H2 O. A combination of (1) H NMR spectroscopy and ESI mass spectrometry was applied to identify some of the various species present in solution and the gas phase, respectively. As it turned out, mass spectrometry did not permit an unambiguous assignment of the structures of +1 cations due to the possibilities of realizing multiple bridging patterns in isomeric species, the occurrence of different tautomers, and uncertainties regarding the Pt oxidation states. Additionally, compound 1 a was found to have selective and moderate antiproliferative activity for a human cervix cancer line (SISO) compared to six other human cancer cell lines.

  10. A Novel Microdeletion in 1(p34.2p34.3), Involving the "SLC2A1" ("GLUT1") Gene, and Severe Delayed Development

    ERIC Educational Resources Information Center

    Vermeer, Sascha; Koolen, David A; Visser, Gepke; Brackel, Hein J. L.; van der Burgt, Ineke; de Leeuw, Nicole; Willemsen, Michel A. A. P.; Sistermans, Erik A.; Pfundt, Rolph; de Vries, Bert B. A.

    2007-01-01

    A "de novo" 4.1-megabase microdeletion of chromosome 1p34.2p34.3 has been identified by array-based comparative genomic hybridization in a young male with severely delayed development, microcephaly, pronounced hypotonia, and facial dysmorphism. The deleted region encompasses 48 genes, among them the glucose transporter 1 ("SLC2A1" or "GLUT1")…

  11. 40 CFR 721.5225 - Naphthalene,1,2,3,4-tetra- hy-dro(1-phenylethyl) (specific name).

    Code of Federal Regulations, 2013 CFR

    2013-07-01

    ... 40 Protection of Environment 32 2013-07-01 2013-07-01 false Naphthalene,1,2,3,4-tetra- hy-dro(1... New Uses for Specific Chemical Substances § 721.5225 Naphthalene,1,2,3,4-tetra- hy-dro(1-phenylethyl... substance naphthalene,1,2,3,4-tetrahydro(1-phenylethyl) (PMN P-85-1331) is subject to reporting under...

  12. 40 CFR 721.5225 - Naphthalene,1,2,3,4-tetra- hy-dro(1-phenylethyl) (specific name).

    Code of Federal Regulations, 2010 CFR

    2010-07-01

    ... 40 Protection of Environment 30 2010-07-01 2010-07-01 false Naphthalene,1,2,3,4-tetra- hy-dro(1... New Uses for Specific Chemical Substances § 721.5225 Naphthalene,1,2,3,4-tetra- hy-dro(1-phenylethyl... substance naphthalene,1,2,3,4-tetrahydro(1-phenylethyl) (PMN P-85-1331) is subject to reporting under...

  13. 40 CFR 721.5225 - Naphthalene,1,2,3,4-tetra- hy-dro(1-phenylethyl) (specific name).

    Code of Federal Regulations, 2011 CFR

    2011-07-01

    ... 40 Protection of Environment 31 2011-07-01 2011-07-01 false Naphthalene,1,2,3,4-tetra- hy-dro(1... New Uses for Specific Chemical Substances § 721.5225 Naphthalene,1,2,3,4-tetra- hy-dro(1-phenylethyl... substance naphthalene,1,2,3,4-tetrahydro(1-phenylethyl) (PMN P-85-1331) is subject to reporting under...

  14. 40 CFR 721.5225 - Naphthalene,1,2,3,4-tetra- hy-dro(1-phenylethyl) (specific name).

    Code of Federal Regulations, 2012 CFR

    2012-07-01

    ... 40 Protection of Environment 32 2012-07-01 2012-07-01 false Naphthalene,1,2,3,4-tetra- hy-dro(1... New Uses for Specific Chemical Substances § 721.5225 Naphthalene,1,2,3,4-tetra- hy-dro(1-phenylethyl... substance naphthalene,1,2,3,4-tetrahydro(1-phenylethyl) (PMN P-85-1331) is subject to reporting under...

  15. 40 CFR 721.5225 - Naphthalene,1,2,3,4-tetra- hy-dro(1-phenylethyl) (specific name).

    Code of Federal Regulations, 2014 CFR

    2014-07-01

    ... 40 Protection of Environment 31 2014-07-01 2014-07-01 false Naphthalene,1,2,3,4-tetra- hy-dro(1... New Uses for Specific Chemical Substances § 721.5225 Naphthalene,1,2,3,4-tetra- hy-dro(1-phenylethyl... substance naphthalene,1,2,3,4-tetrahydro(1-phenylethyl) (PMN P-85-1331) is subject to reporting under...

  16. 40 CFR 721.9662 - Thieno[3,4-b]-1,4-dioxin, 2,3-dihydro- (9CI).

    Code of Federal Regulations, 2010 CFR

    2010-07-01

    ... 40 Protection of Environment 30 2010-07-01 2010-07-01 false Thieno -1,4-dioxin, 2,3-dihydro- (9CI... Substances § 721.9662 Thieno -1,4-dioxin, 2,3-dihydro- (9CI). (a) Chemical substance and significant new uses subject to reporting. (1) The chemical substance identified as thieno -1,4-dioxin, 2,3-dihydro- (9CI)...

  17. 40 CFR 721.9662 - Thieno[3,4-b]-1,4-dioxin, 2,3-dihydro- (9CI).

    Code of Federal Regulations, 2011 CFR

    2011-07-01

    ... 40 Protection of Environment 31 2011-07-01 2011-07-01 false Thieno -1,4-dioxin, 2,3-dihydro- (9CI... Substances § 721.9662 Thieno -1,4-dioxin, 2,3-dihydro- (9CI). (a) Chemical substance and significant new uses subject to reporting. (1) The chemical substance identified as thieno -1,4-dioxin, 2,3-dihydro- (9CI)...

  18. 40 CFR 721.9662 - Thieno[3,4-b]-1,4-dioxin, 2,3-dihydro- (9CI).

    Code of Federal Regulations, 2012 CFR

    2012-07-01

    ... 40 Protection of Environment 32 2012-07-01 2012-07-01 false Thieno -1,4-dioxin, 2,3-dihydro- (9CI... Substances § 721.9662 Thieno -1,4-dioxin, 2,3-dihydro- (9CI). (a) Chemical substance and significant new uses subject to reporting. (1) The chemical substance identified as thieno -1,4-dioxin, 2,3-dihydro- (9CI)...

  19. 40 CFR 721.9662 - Thieno[3,4-b]-1,4-dioxin, 2,3-dihydro- (9CI).

    Code of Federal Regulations, 2013 CFR

    2013-07-01

    ... 40 Protection of Environment 32 2013-07-01 2013-07-01 false Thieno -1,4-dioxin, 2,3-dihydro- (9CI... Substances § 721.9662 Thieno -1,4-dioxin, 2,3-dihydro- (9CI). (a) Chemical substance and significant new uses subject to reporting. (1) The chemical substance identified as thieno -1,4-dioxin, 2,3-dihydro- (9CI)...

  20. 40 CFR 721.9662 - Thieno[3,4-b]-1,4-dioxin, 2,3-dihydro- (9CI).

    Code of Federal Regulations, 2014 CFR

    2014-07-01

    ... 40 Protection of Environment 31 2014-07-01 2014-07-01 false Thieno -1,4-dioxin, 2,3-dihydro- (9CI... Substances § 721.9662 Thieno -1,4-dioxin, 2,3-dihydro- (9CI). (a) Chemical substance and significant new uses subject to reporting. (1) The chemical substance identified as thieno -1,4-dioxin, 2,3-dihydro- (9CI)...

  1. Structure and magnetism of S = 1/2 kagome antiferromagnets NiCu3(OH)6Cl2 and CoCu3(OH)6Cl2.

    PubMed

    Li, Yue-sheng; Zhang, Qing-ming

    2013-01-16

    We have successfully synthesized S = 1/2 kagome antiferromagnets MCu(3)(OH)(6)Cl(2) (M = Ni and Co) by a hydrothermal method with a rotating pressure vessel. Structural characterization shows that both compounds have similar crystal structure to ZnCu(3)(OH)(6)Cl(2) with R3m symmetry. As with ZnCu(3)(OH)(6)Cl(2), the compounds show no obvious hysteresis at 2 K. A spin-glass transition is found in both NiCu(3)(OH)(6)Cl(2) and CoCu(3)(OH)(6)Cl(2) at low temperatures (6.0 and 3.5 K respectively) by AC susceptibility measurements. This indicates no long-range magnetic order and a strong spin frustration. The substitution of Zn(2+) by magnetic ions Ni(2+) or Co(2+) effectively enhances the interlayer exchange coupling and changes the ground state of the kagome spin system.

  2. Structure and magnetism of S = 1/2 kagome antiferromagnets NiCu3(OH)6Cl2 and CoCu3(OH)6Cl2

    NASA Astrophysics Data System (ADS)

    Li, Yue-sheng; Zhang, Qing-ming

    2013-01-01

    We have successfully synthesized S = 1/2 kagome antiferromagnets MCu3(OH)6Cl2 (M = Ni and Co) by a hydrothermal method with a rotating pressure vessel. Structural characterization shows that both compounds have similar crystal structure to ZnCu3(OH)6Cl2 with R\\bar {3}m symmetry. As with ZnCu3(OH)6Cl2, the compounds show no obvious hysteresis at 2 K. A spin-glass transition is found in both NiCu3(OH)6Cl2 and CoCu3(OH)6Cl2 at low temperatures (6.0 and 3.5 K respectively) by AC susceptibility measurements. This indicates no long-range magnetic order and a strong spin frustration. The substitution of Zn2+ by magnetic ions Ni2+ or Co2+ effectively enhances the interlayer exchange coupling and changes the ground state of the kagome spin system.

  3. 1.2.1.1 Harvest, Collection and Storage Quarter 3 Milestone Report

    SciTech Connect

    Lynn M Wendt; William A Smith; Kara G Cafferty; Ian J Bonner; Qiyang Huang; Rachel D Colby

    2014-07-01

    Single pass baling of corn stover is required in order to meet targets for the herbaceous biomass 2017 logistics design case. Single-pass pass stover harvest is based on the grain harvest and generally results in stover with a moisture content of 30-50% wet basis (w.b). Aerobic storage of corn stover with high moisture results in high levels of dry matter loss (DML), up to 25%. Anaerobic storage (ensiling) reduces DML to less than 5%, but additional costs are associated with handling and transporting the extra moisture in the biomass. This milestone provides a best-estimate of costs for using high moisture feedstock within the conventional baled logistics system. The costs of three (3) anaerobic storage systems that reduce dry matter losses (bale wrap, silage tube, and silage drive over pile) are detailed in this milestone and compared to both a conventional dry-baled corn stover case and a high moisture bale case, both stored aerobically. The total logistics cost (harvest, collection, storage, and transportation) of the scenarios are as follows: the conventional multi-pass dry bale case and the single-pass high moisture case stored aerobically were nearly equivalent at $61.15 and $61.24/DMT. The single-pass bale wrap case was the lowest at $57.63/DMT. The bulk anaerobic cases were the most expensive at $84.33 for the silage tube case and $75.97 for the drive over pile, which reflect the additional expense of transporting high-moisture bulk material; however, a reduction in preprocessing costs may occur because these feedstocks are size reduced in the field. In summary, the costs estimates presented in this milestone report can be used to determine if anaerobic storage of high-moisture corn stover is an economical option for dry matter preservation.

  4. 2,2-Dimethyl-5-(2,3,4-trimeth-oxy-benzyl-idene)-1,3-dioxane-4,6-dione.

    PubMed

    Zeng, Wu-Lan

    2011-08-01

    The title compound, C(16)H(18)O(7), was prepared by the reaction of 2,2-dimethyl-1,3-dioxane-4,6-dione and 2,3,4-trimeth-oxy-benzaldehyde. The 1,3-dioxane ring is in a slightly distorted boat conformation. The crystal structure is stabilized by weak inter-molecular C-H⋯O hydrogen bonds. PMID:22090981

  5. DFT simulations and vibrational spectra of 2-amino-2-methyl-1,3-propanediol

    NASA Astrophysics Data System (ADS)

    Renuga Devi, T. S.; Sharmi kumar, J.; Ramkumaar, G. R.

    2014-12-01

    The FTIR and FT-Raman spectra of 2-amino-2-methyl-1,3-propanediol were recorded in the regions 4000-400 cm-1 and 4000-50 cm-1 respectively. The structural and spectroscopic data of the molecule in the ground state were calculated using Hartee-Fock and density functional method (B3LYP) with the augmented-correlation consistent-polarized valence double zeta (aug-cc-pVDZ) basis set. The most stable conformer was optimized and the structural and vibrational parameters were determined based on this. The complete assignments were performed on the basis of the Potential Energy Distribution (PED) of the vibrational modes, calculated using Vibrational Energy Distribution Analysis (VEDA) 4 program. With the observed FTIR and FT-Raman data, a complete vibrational assignment and analysis of the fundamental modes of the compound were carried out. Thermodynamic properties and Mulliken charges were calculated using both Hartee-Fock and density functional method using the aug-cc-pVDZ basis set and compared. The calculated HOMO-LUMO energy gap revealed that charge transfer occurs within the molecule. 1H and 13C NMR chemical shifts of the molecule were calculated using Gauge-Independent Atomic Orbital (GIAO) method and were compared with experimental results.

  6. Bioavailability of Clindamycin From a New Clindamycin Phosphate 1.2%-Benzoyl Peroxide 3% Combination Gel.

    PubMed

    Jones, Terry M; Jasper, Stacy; Alió Sáenz, Alessandra B

    2013-01-01

    A new topical fixed-dose combination product containing clindamycin (1%, formulated as 1.2% clindamycin phosphate, CLNP 1.2%) with low strength (3%) benzoyl peroxide (BPO) in a methylparaben-free gel vehicle (CLNP 1.2%-BPO 3%-MPF) has been developed for the treatment of acne. The objective of this study was to determine the relative bioavailability of clindamycin and clindamycin sulfoxide from CLNP 1.2%-BPO 3%-MPF compared with clindamycin phosphate 1.2%-BPO 5% in a methylparaben-preserved gel vehicle (CLNP 1.2%-BPO 5%-MP) and clindamycin phosphate 1.2%-BPO 5% in a methylparaben-free gel vehicle (CLNP 1.2%-BPO 5%-MPF), and to determine whether exposure is affected by BPO concentration (3% vs. 5%) when applied topically. Seventy-two subjects with moderate-severe acne were randomized to receive CLNP 1.2%-BPO 3%-MPF, CLNP 1.2%-BPO 5%-MP, or CLNP 1.2%-BPO 5%-MPF in a 5-day, open-label, and parallel-group study. Cmax and AUC values for clindamycin were highest for CLNP 1.2%-BPO 5%-MP, followed by CLNP 1.2%-BPO 3%-MPF and CLNP 1.2%-BPO 5%-MPF, but differences were not statistically significant. Systemic exposure to clindamycin and clindamycin sulfoxide was low and comparable between the formulations. Results indicate that differences in BPO concentration do not influence clindamycin bioavailability.

  7. Rab3-GEF Controls Active Zone Development at the Drosophila Neuromuscular Junction1,2,3

    PubMed Central

    Bae, Haneui; Chen, Shirui; Roche, John P.; Ai, Minrong; Wu, Chunlai

    2016-01-01

    Abstract Synaptic signaling involves the release of neurotransmitter from presynaptic active zones (AZs). Proteins that regulate vesicle exocytosis cluster at AZs, composing the cytomatrix at the active zone (CAZ). At the Drosophila neuromuscular junction (NMJ), the small GTPase Rab3 controls the distribution of CAZ proteins across release sites, thereby regulating the efficacy of individual AZs. Here we identify Rab3-GEF as a second protein that acts in conjunction with Rab3 to control AZ protein composition. At rab3-GEF mutant NMJs, Bruchpilot (Brp) and Ca2+ channels are enriched at a subset of AZs, leaving the remaining sites devoid of key CAZ components in a manner that is indistinguishable from rab3 mutant NMJs. As the Drosophila homologue of mammalian DENN/MADD and Caenorhabditis elegans AEX-3, Rab3-GEF is a guanine nucleotide exchange factor (GEF) for Rab3 that stimulates GDP to GTP exchange. Mechanistic studies reveal that although Rab3 and Rab3-GEF act within the same mechanism to control AZ development, Rab3-GEF is involved in multiple roles. We show that Rab3-GEF is required for transport of Rab3. However, the synaptic phenotype in the rab3-GEF mutant cannot be fully explained by defective transport and loss of GEF activity. A transgenically expressed GTP-locked variant of Rab3 accumulates at the NMJ at wild-type levels and fully rescues the rab3 mutant but is unable to rescue the rab3-GEF mutant. Our results suggest that although Rab3-GEF acts upstream of Rab3 to control Rab3 localization and likely GTP-binding, it also acts downstream to regulate CAZ development, potentially as a Rab3 effector at the synapse. PMID:27022630

  8. Antinociceptive Effect of 3-(2,3-Dimethoxyphenyl)-1-(5-methylfuran-2-yl)prop-2-en-1-one in Mice Models of Induced Nociception.

    PubMed

    Ismail, Nur Izzati; Ming-Tatt, Lee; Lajis, Nordin; Akhtar, Muhammad Nadeem; Akira, Ahmad; Perimal, Enoch Kumar; Israf, Daud Ahmad; Sulaiman, Mohd Roslan

    2016-08-22

    The antinociceptive effects produced by intraperitoneal administration of a novel synthetic chalcone, 3-(2,3-dimethoxyphenyl)-1-(5-methylfuran-2-yl)prop-2-en-1-one (DMFP), were investigated in several mouse models of induced nociception. The administration of DMFP (0.1, 0.5, 1.0 and 5.0 mg/kg) produced significant attenuation on the acetic acid-induced abdominal-writhing test. It also produced a significant increase in response latency time in the hot-plate test and a marked reduction in time spent licking the injected paw in both phases of the formalin-induced paw-licking test. In addition, it was also demonstrated that DMFP exhibited significant inhibition of the neurogenic nociceptive response induced by intraplantar injections of capsaicin and glutamate. Moreover, the antinociceptive effect of DMFP in the acetic acid-induced abdominal-writhing test and the hot-plate test was not antagonized by pretreatment with a non-selective opioid receptor antagonist, naloxone. Finally, DMFP did not show any toxic effects and/or mortality in a study of acute toxicity and did not interfere with motor coordination during the Rota-rod test. Our present results show that DMFP exhibits both peripheral and central antinociceptive effects. It was suggested that its peripheral antinociceptive activity is associated with attenuated production and/or release of NO and various pro-inflammatory mediators, while central antinociceptive activity seems to be unrelated to the opioidergic system, but could involve, at least in part, an interaction with the inhibition of capsaicin-sensitive fibers and the glutamatergic system.

  9. Antinociceptive Effect of 3-(2,3-Dimethoxyphenyl)-1-(5-methylfuran-2-yl)prop-2-en-1-one in Mice Models of Induced Nociception.

    PubMed

    Ismail, Nur Izzati; Ming-Tatt, Lee; Lajis, Nordin; Akhtar, Muhammad Nadeem; Akira, Ahmad; Perimal, Enoch Kumar; Israf, Daud Ahmad; Sulaiman, Mohd Roslan

    2016-01-01

    The antinociceptive effects produced by intraperitoneal administration of a novel synthetic chalcone, 3-(2,3-dimethoxyphenyl)-1-(5-methylfuran-2-yl)prop-2-en-1-one (DMFP), were investigated in several mouse models of induced nociception. The administration of DMFP (0.1, 0.5, 1.0 and 5.0 mg/kg) produced significant attenuation on the acetic acid-induced abdominal-writhing test. It also produced a significant increase in response latency time in the hot-plate test and a marked reduction in time spent licking the injected paw in both phases of the formalin-induced paw-licking test. In addition, it was also demonstrated that DMFP exhibited significant inhibition of the neurogenic nociceptive response induced by intraplantar injections of capsaicin and glutamate. Moreover, the antinociceptive effect of DMFP in the acetic acid-induced abdominal-writhing test and the hot-plate test was not antagonized by pretreatment with a non-selective opioid receptor antagonist, naloxone. Finally, DMFP did not show any toxic effects and/or mortality in a study of acute toxicity and did not interfere with motor coordination during the Rota-rod test. Our present results show that DMFP exhibits both peripheral and central antinociceptive effects. It was suggested that its peripheral antinociceptive activity is associated with attenuated production and/or release of NO and various pro-inflammatory mediators, while central antinociceptive activity seems to be unrelated to the opioidergic system, but could involve, at least in part, an interaction with the inhibition of capsaicin-sensitive fibers and the glutamatergic system. PMID:27556438

  10. Rate Constants for the Reactions of OH with CH(sub 3)Cl, CH(sub 2) C1(sub 2), CHC1(sub 3)and CH(sub 3)Br

    NASA Technical Reports Server (NTRS)

    Hsu, H-J.; DeMore, W.

    1994-01-01

    Rate constants for the reactions of OH with CH3C1, CH2Cl2, CHCl3 and CH3Br have been measured by a relative rate technique in which the reaction rate of each compound was compared to that of HFC-152a (CH3CHF2)and for CH2Cl2, HFC-161 (CH3CH2F).

  11. Size-driven magnetic transitions in La1/3Ca2/3MnO3 nanoparticles

    NASA Astrophysics Data System (ADS)

    Markovich, V.; Fita, I.; Wisniewski, A.; Mogilyansky, D.; Puzniak, R.; Titelman, L.; Gorodetsky, G.

    2010-09-01

    Magnetic properties of electron-doped La1/3Ca2/3MnO3 manganite nanoparticles with average particle size ranging from 12 to 42 nm, prepared by the glycine-nitrate method, have been investigated in temperature range 5-300 K and in magnetic fields up to 90 kOe. Reduction in the particle size suppresses antiferromagnetism and decreases the Néel temperature. In contrast to bulk crystals, the charge ordering does not occur in all studied nanoparticles, while a weak ferromagnetism appears above 200 K. Low temperature magnetic hysteresis loops indicate upon exchange bias effect displayed by horizontal and vertical shifts in field cooled processes. The spontaneous and remanent magnetization at low temperature shows a relatively complex variation with particle size. The size-induced structural/magnetic disorder drives the La1/3Ca2/3MnO3 nanoparticles to a pronounced glassy behavior for the smallest 12 nm particles, as evidenced by large difference between zero field cooled and field cooled magnetization, frequency dependent ac-susceptibility, as well as characteristic slowing down in the spin dynamics. Time evolution of magnetization recorded in magnetic fields after field cooling to low temperatures exhibits pronounced relaxation and a very noisy behavior that may be caused by formation of some collective states. Magnetic properties of the nanoparticle samples are compared with those of La0.2Ca0.8MnO3 nanoparticles. These results shed some light on the coupling between charges and spin degrees of freedom in antiferromagnetic manganite nanoparticles.

  12. Esters of 1,3,3,-trimethyl-2-oxabicyclo [2.2.2]octan-6-ols: synthesis, odour evaluation and in vitro preliminary toxicity assays.

    PubMed

    Mariani, E; Neuhoff, C; Bargagna, A; Longobardi, M; Ferro, M; Gelardi, A

    1995-10-01

    Synopsis The synthesis of a series of alkyl and arylesters of 1,3,3,-trimethyl-2-oxabicyclo[2.2.2]octan-6-ols (2-cineolylols) is described. All cineole esters obtained were tested for their olfactive character; the esters derived from aryl acyl chlorides were odourless, while aliphatic esters showed interesting multipurpose aromas. Some of these compounds exhibited fruity, woody, green, pine oil and violet-like notes and some showed aromas interesting for foodstuffs. In vitro toxicity tests were carried out on the cyclopropyl ester of 2-cineolylols, the most promising of these compounds as a potential perfume ingredient. In this study, cultured mouse fibroblast L-929 and human keratinocyte NCTC 2544 cell lines were used. The results obtained with the evaluation of three different physiological end points showed that the tested compound possess much lower cytotoxicity than sodium dodecylsulphate (SDS) used as positive control.

  13. Crystal structure of 3-O-benzyl-4(R)-C-(1-benzyl-1H-1,2,3-triazol-4-yl)-1,2-O-iso­propyl­idene-α-d-erythro­furan­ose

    PubMed Central

    Semjonovs, Nikita; Rjabovs, Vitalijs; Stepanovs, Dmitrijs; Turks, Maris

    2015-01-01

    The title compound, C23H25N3O4, {systematic name: 1-benzyl-4-[(3aR,5R,6R,6aR)-6-benz­yloxy-2,2-di­methyl­tetra­hydro­furo[2,3-d][1,3]dioxol-5-yl]-1H-1,2,3-triazole}, consists of a substituted 2,2-di­methyl­tetra­hydro­furo[2,3-d][1,3]dioxole. The furan­ose ring adopts an envelope conformation close to C 3-exo, where the C atom substituted by the benz­yloxy group is the flap. The fused dioxolane ring also adopts an envelope conformation, with the methyl­ene C atom as the flap. In the crystal, mol­ecules are linked by weak C—H⋯O hydrogen bonds, forming zigzag chains along [010]. PMID:26870425

  14. Crystal structure of 3-O-benzyl-4(R)-C-(1-benzyl-1H-1,2,3-triazol-4-yl)-1,2-O-iso-propyl-idene-α-d-erythro-furan-ose.

    PubMed

    Semjonovs, Nikita; Rjabovs, Vitalijs; Stepanovs, Dmitrijs; Turks, Maris

    2015-12-01

    The title compound, C23H25N3O4, {systematic name: 1-benzyl-4-[(3aR,5R,6R,6aR)-6-benz-yloxy-2,2-di-methyl-tetra-hydro-furo[2,3-d][1,3]dioxol-5-yl]-1H-1,2,3-triazole}, consists of a substituted 2,2-di-methyl-tetra-hydro-furo[2,3-d][1,3]dioxole. The furan-ose ring adopts an envelope conformation close to C 3-exo, where the C atom substituted by the benz-yloxy group is the flap. The fused dioxolane ring also adopts an envelope conformation, with the methyl-ene C atom as the flap. In the crystal, mol-ecules are linked by weak C-H⋯O hydrogen bonds, forming zigzag chains along [010].

  15. 1 CFR 2.3 - Office of the Federal Register; location; office hours.

    Code of Federal Regulations, 2014 CFR

    2014-01-01

    ... 1 General Provisions 1 2014-01-01 2012-01-01 true Office of the Federal Register; location; office hours. 2.3 Section 2.3 General Provisions ADMINISTRATIVE COMMITTEE OF THE FEDERAL REGISTER GENERAL GENERAL INFORMATION § 2.3 Office of the Federal Register; location; office hours. (a) The Office of...

  16. 1 CFR 2.3 - Office of the Federal Register; location; office hours.

    Code of Federal Regulations, 2013 CFR

    2013-01-01

    ... 1 General Provisions 1 2013-01-01 2012-01-01 true Office of the Federal Register; location; office hours. 2.3 Section 2.3 General Provisions ADMINISTRATIVE COMMITTEE OF THE FEDERAL REGISTER GENERAL GENERAL INFORMATION § 2.3 Office of the Federal Register; location; office hours. (a) The Office of...

  17. 1 CFR 2.3 - Office of the Federal Register; location; office hours.

    Code of Federal Regulations, 2012 CFR

    2012-01-01

    ... 1 General Provisions 1 2012-01-01 2012-01-01 false Office of the Federal Register; location; office hours. 2.3 Section 2.3 General Provisions ADMINISTRATIVE COMMITTEE OF THE FEDERAL REGISTER GENERAL GENERAL INFORMATION § 2.3 Office of the Federal Register; location; office hours. (a) The Office of...

  18. 1 CFR 2.3 - Office of the Federal Register; location; office hours.

    Code of Federal Regulations, 2010 CFR

    2010-01-01

    ... 1 General Provisions 1 2010-01-01 2010-01-01 false Office of the Federal Register; location; office hours. 2.3 Section 2.3 General Provisions ADMINISTRATIVE COMMITTEE OF THE FEDERAL REGISTER GENERAL GENERAL INFORMATION § 2.3 Office of the Federal Register; location; office hours. (a) The Office of...

  19. 1 CFR 2.3 - Office of the Federal Register; location; office hours.

    Code of Federal Regulations, 2011 CFR

    2011-01-01

    ... 1 General Provisions 1 2011-01-01 2011-01-01 false Office of the Federal Register; location; office hours. 2.3 Section 2.3 General Provisions ADMINISTRATIVE COMMITTEE OF THE FEDERAL REGISTER GENERAL GENERAL INFORMATION § 2.3 Office of the Federal Register; location; office hours. (a) The Office of...

  20. Complexation of n SO2 molecules (n = 1, 2, 3) with formaldehyde and thioformaldehyde

    NASA Astrophysics Data System (ADS)

    Azofra, Luis Miguel; Scheiner, Steve

    2014-01-01

    Ab initio and density functional theory calculations are used to examine complexes formed between H2CO and H2CS with 1, 2, and 3 molecules of SO2. The nature of the interactions is probed by a variety of means, including electrostatic potentials, natural bond orbital, atoms in molecules, energy decomposition, and electron density redistribution maps. The dimers are relatively strongly bound, with interaction energies exceeding 5 kcal/mol. The structures are cyclic, containing both a O/S⋯S chalcogen bond and a CH⋯O H-bond. Addition of a second SO2 molecule leads to a variety of heterotrimer structures, most of which resemble the original dimer, where the second SO2 molecule engages in a chalcogen bond with the first SO2, and a C⋯O attraction with the H2CX. Some cooperativity is apparent in the trimers and tetramers, with an attractive three-body interaction energy and shortened intermolecular distances.

  1. 2-(3,4-Dichloro-phen-yl)-N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)acetamide.

    PubMed

    Mahan, Aneeka; Butcher, Ray J; Nayak, Prakash S; Narayana, B; Yathirajan, H S

    2013-03-01

    In the title compound, C19H17Cl2N3O2, there are three mol-ecules (A, B and C) in the asymmetric unit and each differs in the conformation adopted. As a result of steric repulsion, the amide group is rotated with respect to both the dichloro-phenyl and 2,3-dihydro-1H-pyrazol-4-yl rings, making dihedral angles of 44.5 (2) and 56.2 (2)°, respectively in A, 51.1 (2) and 54.1 (2)° in B, and 53.8 (2) and 54.6 (2)° in C. The dihedral angles between the dichloro-phenyl and 2,3-dihydro-1H-pyrazol-4-yl rings are 54.8 (2), 76.2 (2) and 77.5 (2)° in mol-ecules A, B and C, respectively, while the 2,3-dihydro-1H-pyrazol-4-yl and phenyl rings make dihedral angles of 45.3 (2), 51.2 (2) and 42.8 (2)°, respectively. In the crystal, two of the mol-ecules are linked through N-H⋯O hydrogen bonding to an adjoining mol-ecule, forming dimers of the R2(2)(10) type, while the third mol-ecule forms such dimers with itself. C-H⋯O inter-actions link the dimers. PMID:23476584

  2. Analysis of Wake VAS Benefits Using ACES Build 3.2.1: VAMS Type 1 Assessment

    NASA Technical Reports Server (NTRS)

    Smith, Jeremy C.

    2005-01-01

    The FAA and NASA are currently engaged in a Wake Turbulence Research Program to revise wake turbulence separation standards, procedures, and criteria to increase airport capacity while maintaining or increasing safety. The research program is divided into three phases: Phase I near term procedural enhancements; Phase II wind dependent Wake Vortex Advisory System (WakeVAS) Concepts of Operations (ConOps); and Phase III farther term ConOps based on wake prediction and sensing. The Phase III Wake VAS ConOps is one element of the Virtual Airspace Modelling and Simulation (VAMS) program blended concepts for enhancing the total system wide capacity of the National Airspace System (NAS). This report contains a VAMS Program Type 1 (stand-alone) assessment of the expected capacity benefits of Wake VAS at the 35 FAA Benchmark Airports and determines the consequent reduction in delay using the Airspace Concepts Evaluation System (ACES) Build 3.2.1 simulator.

  3. Determination of 3-Monochloropropane-1,2-diol and 2-Monochloropropane-1,3-diol (MCPD) Esters and Glycidyl Esters by Microwave Extraction in Different Foodstuffs.

    PubMed

    Marc, Corinne; Drouard-Pascarel, Valérie; Rétho, Cécile; Janvion, Patrice; Saltron, Frédéric

    2016-06-01

    This paper describes a method for the determination of 3-monochloropropane-1,2-diol and 2-monochloropropane-1,3-diol (MCPD) esters and glycidyl esters in various foodstuffs, which are isolated using microwave extraction. The next step is based on alkaline-catalyzed ester cleavage. The released glycidol is transformed into monobromopropanediol (MBPD). All compounds are derivatized in free diols (MCPD and MBPD) with phenylboronic acid and analyzed by gas chromatography-mass spectrometry (GC-MS). The method was validated for oils with a limit of quantitation (LOQ) of 0.1 mg/kg, for chips and crisps with a LOQ of 0.02 mg/kg, and for infant formula with a LOQ of 0.0025 mg/L. Recoveries of each sample were controlled by standard addition on extracts before derivatization. Quantitation was performed by the addition of isotopically labeled glycidyl and 3-monochloropropane-1,2-diol (3-MCPD) esters.

  4. Determination of 3-Monochloropropane-1,2-diol and 2-Monochloropropane-1,3-diol (MCPD) Esters and Glycidyl Esters by Microwave Extraction in Different Foodstuffs.

    PubMed

    Marc, Corinne; Drouard-Pascarel, Valérie; Rétho, Cécile; Janvion, Patrice; Saltron, Frédéric

    2016-06-01

    This paper describes a method for the determination of 3-monochloropropane-1,2-diol and 2-monochloropropane-1,3-diol (MCPD) esters and glycidyl esters in various foodstuffs, which are isolated using microwave extraction. The next step is based on alkaline-catalyzed ester cleavage. The released glycidol is transformed into monobromopropanediol (MBPD). All compounds are derivatized in free diols (MCPD and MBPD) with phenylboronic acid and analyzed by gas chromatography-mass spectrometry (GC-MS). The method was validated for oils with a limit of quantitation (LOQ) of 0.1 mg/kg, for chips and crisps with a LOQ of 0.02 mg/kg, and for infant formula with a LOQ of 0.0025 mg/L. Recoveries of each sample were controlled by standard addition on extracts before derivatization. Quantitation was performed by the addition of isotopically labeled glycidyl and 3-monochloropropane-1,2-diol (3-MCPD) esters. PMID:27133957

  5. Magneto-transport and magnetization studies of Pr2/3Ba1/3MnO3:Ag2O composite manganites

    NASA Astrophysics Data System (ADS)

    Panwar, Neeraj; Pandya, D. K.; Agarwal, S. K.

    2007-11-01

    Magneto-transport and magnetic studies carried out on the (1-x)Pr2/3Ba1/3MnO3+xAg2O (x = 0-30 mol%) composite system are reported here. Two transitions (TP1 and TP2) are observed in the electrical resistivity of the pristine Pr2/3Ba1/3MnO3 (PBMO) system. With addition of Ag2O electrical resistivity decreases. While TP1 gets sharper, TP2 disappears with increasing Ag2O content. Electrical resistivity fitting below TP2 indicates that PBMO exhibits a crossover from a spin dependent scattering-like polycrystalline material to a single crystalline material in composites. Low temperature resistivity upturn, which results from the combined effect of weak localization, electron-electron and electron-phonon scattering mechanisms, also decreases in the composite materials. The enhanced intrinsic magneto-resistance seen in the composite system has been ascribed to factors like decrease in electrical resistivity due to the formation of metallic Ag from Ag2O dissociation, disorder reduction, magnetic inhomogeneity and growth of spin clusters. The monotonic decrease in the extrinsic magneto-resistance due to Ag is found to be related to the disappearance of the energy barrier formed at the grain boundary. The observed decrease in the magnetization below the Curie temperature (TC) is considered vis-à-vis the magnetic volume reduction and the non-magnetic Ag acting as a pinning centre to the domain rotation.

  6. Broadband Permittivity Measurements of Ruddlesden-Popper Srn+1TinO3n+1 (n=1,2,3) Thin Films

    NASA Astrophysics Data System (ADS)

    Orloff, N.; Tian, W.; Schlom, D.; Booth, J.; Takeuchi, I.

    2008-03-01

    In order to explore the microwave dielectric response of Sr2TiO4, Sr3Ti2O7, and Sr4Ti3O10 thin films, we have performed broadband in-plane quantitative complex permittivity(ɛ) measurements on Srn+1TinO3n+1 (n=1,2,3) thin films in the frequency range 100Hz-40GHz. The films, of approximately 160 nm thickness, were fabricated by molecular beam epitaxy[1], and standard lithographic techniques were used to define coplanar waveguide transmission lines and interdigitated capacitors using gold. We extracted ɛ from the measured complex S-parameters (.01-40GHz) and the complex impedance (100Hz-.001GHz), which were measured at 70K, 150K, 200K, and 250K using a cyrogenic probe station. We found that below ˜10GHz the ɛ's of these thin films were approximately constant with frequency: ɛ 38, 48, and 100 for Srn+1TinO3n+1 (n=1,2,3) respectively. In addition, the measured value for ɛ of Sr2TiO4 is consistent with recent theoretical calculations [2]. We will discuss in detail the temperature and electric field dependence of the measured complex ɛ for these material systems. [1] J.H. Haeni, et al APL, 78, 21 (2001) [2] C.J. Fennie and M.K. Rabe, PRB, 68, 184111 (2003)

  7. Synthesis and SAR of tetrahydropyrrolo[1,2-b][1,2,5]thiadiazol-2(3H)-one 1,1-dioxide analogues as highly potent selective androgen receptor modulators.

    PubMed

    Manfredi, Mark C; Bi, Yingzhi; Nirschl, Alexandra A; Sutton, James C; Seethala, Ramakrishna; Golla, Rajasree; Beehler, Blake C; Sleph, Paul G; Grover, Gary J; Ostrowski, Jacek; Hamann, Lawrence G

    2007-08-15

    Replacement of the 3-oxo group of 2-chloro-4-[(7R,7aS)-7-hydroxy-1,3-dioxotetrahydro-1H-pyrrolo[1,2c]imidazol-2(3H)-yl]-3-methylbenzonitrile resulted in a sulfamide series of selective androgen receptor modulator (SARM) agonists.

  8. Outcomes of the 5-4-3-2-1 Go Childhood Obesity Community Trial

    ERIC Educational Resources Information Center

    Evans, W. Douglas; Christoffel, Katherine K.; Necheles, Jonathan; Becker, Adam B.; Snider, Jeremy

    2011-01-01

    Objectives: To determine effects of the "5-4-3-2-1 Go" community social marketing campaign on obesity risk factors. Methods: We randomly assigned 524 parents of 3- to 7-year-old children to receive "5-4-3-2-1 Go" counseling or not. We surveyed parents about "5-4-3-2-1 Go!" behaviors and perceptions of children's behaviors at baseline and one year…

  9. 1,25(OH)2D3 increases membrane associated protein kinase C in MDBK cells.

    PubMed

    Simboli-Campbell, M; Franks, D J; Welsh, J

    1992-01-01

    To determine whether 1,25-dihydroxycholecalciferol [1,25(OH)2D3] affects protein kinase C (PKC) activity in kidney, as has been demonstrated in HL-60 cells we measured 1,25(OH)2D3 binding, PKC activity and PKC immunoreactivity in Madin Darby bovine kidney (MDBK) cells, a normal renal epithelial cell line derived from bovine kidney. Our data demonstrate that MDBK cells exhibit specific high affinity binding for 1,25(OH)2D3, indicating the presence of the vitamin D receptor (VDR). Treatment of MDBK cells with 1,25(OH)2D3 for 24 h increased membrane PKC activity and immunoreactivity. The effect of 1,25(OH)2D3 was dose-dependent, with a peak effect observed at 10(-7)M 1,25(OH)2D3. The 1,25(OH)2D3 induced increase in membrane PKC was paralleled by a comparable decrease in cytosolic PKC activity and amount. Although time course studies were consistent with a VDR mediated effect of 1,25(OH)2D3 on PKC protein synthesis, total PKC activity was not increased by 1,25(OH)2D3, suggesting an effect on PKC translocation or localization. These results suggest that 1,25(OH)2D3 modulates PKC mediated events in kidney, a classic target for this steroid hormone.

  10. Antimicrobial and cytotoxic activities of 1,2,3-triazole-sucrose derivatives.

    PubMed

    Petrova, Krasimira T; Potewar, Taterao M; Correia-da-Silva, Paula; Barros, M Teresa; Calhelha, Ricardo C; Ćiric, Ana; Soković, Marina; Ferreira, Isabel C F R

    2015-11-19

    A library of 1-(1',2,3,3',4,4',6-hepta-O-acetyl-6'-deoxy-sucros-6'-yl)-1,2,3-triazoles have been investigated for their antibacterial, antifungal and cytotoxic activities. Most of the target compounds showed good inhibitory activity against a variety of clinically and food contaminant important microbial pathogens. In particular, 1-(1',2,3,3',4,4',6-hepta-O-acetyl-6'-deoxy-sucros-6'-yl)-4-(4-pentylphenyl)-1,2,3-triazole (5) was highly active against all the tested bacteria with minimal inhibitory concentrations (MICs) ranging between 1.1 and 4.4 µM and bactericidal concentrations (MBCs) from 2.2 and 8.4 µM. The compound 1-(1',2,3,3',4,4',6-hepta-O-acetyl-6'-deoxy-sucros-6'-yl)-4-(4-bromophenyl)-1,2,3-triazole (3) showed antifungal activity with MICs from 0.6 to 4.8 µM and minimal fungicidal concentrations (MFCs) ranging between 1.2 and 8.9 µM. Furthermore, some of the compounds possessed moderate cytotoxicity against human breast, lung, cervical and hepatocellular carcinoma cell lines, without showing toxicity for non-tumor liver cells. The above mentioned derivatives represent promising leads for the development of new generation of sugar-triazole antifungal agents.

  11. Microstructure of a commercial W-1% La2O3 alloy

    NASA Astrophysics Data System (ADS)

    Shen, Yinzhong; Xu, Zhiqiang; Cui, Kai; Yu, Jie

    2014-12-01

    W-1% La2O3 alloy is considered as the most promising material for plasma-facing components of fusion reactors. The microstructure of a commercial W-1% La2O3 alloy was investigated using optical and transmission electron microscopes. The microstructure of pure tungsten can be improved significantly by fabrication of W-1% La2O3 alloys. W-1% La2O3 alloys can be produced with no porosities and cracks, and with various oxide phases dispersed in alloy matrix. La2O3 with different crystal structures, La6W2O15, WO2, WO3 and W3O8 phases were identified in as-forged W-1% La2O3 alloy. Long strip-like La2O3 has a very large size, whereas spherical La6W2O15, navicular WO3, hexagonal W3O8 and short rod-like La2O3 are smaller particles. Most identified phases have a heterogeneous distribution. Forging leads to a more dispersive distribution of large-sized La2O3 particles but not of fine WO3 particles compared with rolling. The mechanical properties of the alloys are also discussed.

  12. 40 CFR 180.530 - 2,2-Dimethyl-1,3-benzodioxol-4-ol methylcarbamate; tolerances for residues.

    Code of Federal Regulations, 2010 CFR

    2010-07-01

    ... residues. (a) General. (1) The insecticide 2,2-dimethyl-1,3-benzodioxol-4-yl methylcarbamate may be safely... insecticide 2,2-dimethyl-1,3-benzodioxol-4-yl methylcarbamate may be safely used in spot and/or crack...

  13. 40 CFR 180.530 - 2,2-Dimethyl-1,3-benzodioxol-4-ol methylcarbamate; tolerances for residues.

    Code of Federal Regulations, 2011 CFR

    2011-07-01

    ... residues. (a) General. (1) The insecticide 2,2-dimethyl-1,3-benzodioxol-4-yl methylcarbamate may be safely... insecticide 2,2-dimethyl-1,3-benzodioxol-4-yl methylcarbamate may be safely used in spot and/or crack...

  14. 40 CFR 180.530 - 2,2-Dimethyl-1,3-benzodioxol-4-ol methylcarbamate; tolerances for residues.

    Code of Federal Regulations, 2013 CFR

    2013-07-01

    ... residues. (a) General. (1) The insecticide 2,2-dimethyl-1,3-benzodioxol-4-yl methylcarbamate may be safely... insecticide 2,2-dimethyl-1,3-benzodioxol-4-yl methylcarbamate may be safely used in spot and/or crack...

  15. 40 CFR 180.530 - 2,2-Dimethyl-1,3-benzodioxol-4-ol methylcarbamate; tolerances for residues.

    Code of Federal Regulations, 2012 CFR

    2012-07-01

    ... residues. (a) General. (1) The insecticide 2,2-dimethyl-1,3-benzodioxol-4-yl methylcarbamate may be safely... insecticide 2,2-dimethyl-1,3-benzodioxol-4-yl methylcarbamate may be safely used in spot and/or crack...

  16. Synthesis of a Nanostructured Composite: Octakis(1-propyl-1H-1,2,3-triazole-4-yl(methyl 2-chlorobenzoate))octasilsesquioxane via Click Reaction.

    PubMed

    Ghodsi, Mohammadi Ziarani; Shakiba Nahad, Monireh; Lashgari, Negar; Alireza, Badiei

    2015-01-01

    Octakis(1-propyl-1H-1,2,3-triazole-4-yl(methyl 2-chlorobenzoate))octasilsesquioxanes as functionalized silsesquioxanes were synthesized via click reaction (copper-catalyzed Huisgen 1,3-dipolar cycloaddition reaction) between azidemoiety functionalized silsesquioxane and prop-2-ynyl 2-chlorobenzoate. The latter one was synthesized via the condensation reaction of propargyl alcohol and 2-chlorobenzoyl chloride in the presence of SBA-Pr-NH(2) (Santa Barbara Amorphous type material) as a nano basic catalyst. This approach provides a simple and convenient route to efficiently functionalize a wide range of new structures on the surface of silsesquioxanes. PMID:26454606

  17. Interfacial reactions in borsic/Ti-3Al-2-1/2V composite

    NASA Technical Reports Server (NTRS)

    Rao, V. B.; Houska, C. R.; Unnam, J.; Brewer, W. D.; Tenney, D. R.

    1979-01-01

    The paper provides a detailed X-ray characterization of a borsic/Ti-3Al-2-1/2V composite, and to correlate the relative intensities of the reaction products with the mechanical properties. Based on X-ray integrated intensity data two stages of interface reactions were identified: during the first stage there is a simultaneous interdiffusion of Si, C, and Ti atoms at the filament/matrix interface resulting in the formation of Ti5Si3, TiSi and small amounts of TiSi2 and TiC. The second stage is associated with considerable TiSi2 and boride formation. It appears that the alpha-phase of Ti is more reactive in forming silicides and borides than the beta-phase. The silicide intensities and the reaction zone thicknesses are shown to be directly related to the reduction of the ultimate tensile strength by thermal degradation, and the results indicate that silicide reaction products are as detrimental to strength as the borides.

  18. Enhanced electrochemical performance of LiNi0.5Mn1.5O4 cathode using an electrolyte with 3-(1,1,2,2-tetrafluoroethoxy)-1,1,2,2-tetrafluoropropane

    NASA Astrophysics Data System (ADS)

    Luo, Ying; Lu, Taolin; Zhang, Yixiao; Yan, Liqin; Xie, Jingying; Mao, Samuel S.

    2016-08-01

    A new electrolyte based on fluorinated 3-(1,1,2,2-tetrafluoroethoxy)-1,1,2,2-tetrafluoropropane (F-EPE) solvent is studied in LiNi0.5Mn1.5O4/Li cells. The electrochemical stability of the electrolyte with 10% F-EPE is carried out by linear sweep voltammetry and electrochemical floating test. These results indicate that the electrolyte with F-EPE has an oxidation potential of more than 5.2 V vs. Li+/Li, which is higher than that without F-EPE and enlarges the oxidative window of electrolyte. A thin and uniform SEI layer is formed on the surface of LiNi0.5Mn1.5O4 cathode by using electrolyte with F-EPE, leads to an improvement in the electrochemical performance, validated by charge-discharge tests, EIS, SEM, TEM, and XPS analysis.

  19. Crystal structure of 1-[(2,2-dimethyl-1,3-dioxolan-4-yl)meth-yl]-2-(thia-zol-4-yl)-1H-benzimidazole.

    PubMed

    Gueddar, Hicham; Bouhfid, Rachid; Essassi, El Mokhtar; Saadi, Mohamed; El Ammari, Lahcen

    2015-12-01

    The benzimidazole ring in the title compound, C16H17N3O2S, is almost planar, with the greatest deviation from the mean plane being 0.032 (1) Å. The fused-ring system makes dihedral angles of 19.91 (7) and 24.51 (8)° with the best plane through each of the thia-zol-4-yl and 1,3-dioxolan-4-yl rings, respectively; the latter exhibits an envelope conformation with the methyl-ene C atom being the flap. Finally, the thia-zol-4-yl ring makes a dihedral angle of 33.85 (9)° with the 1,3-dioxolan-4-yl ring. In the crystal, mol-ecules are connected by a pair of C-H⋯π(imidazole) inter-actions to form centrosymmetric aggregates. PMID:26870546

  20. Synthesis and herbicidal activity of novel 1-(Diethoxy-phosphoryl)-3-(4-one-1H-1,2,3-triazol-1-yl)-propan-2-yl carboxylic esters.

    PubMed

    Jin, Yan; Zhao, Hanqing; Lu, Huizhe; Kuemmel, Colleen M; Zhang, Jianjun; Wang, Daoquan

    2015-01-01

    A series of novel compounds, namely 1-(diethoxyphosphoryl)-3-(4-ones-1H-1,2,3-triazol-1-yl)propan-2-yl carboxylic esters, were designed on the basis of the diazafulvene intermediate of imidazole glycerol phosphate dehydratase (IGPD) and high-activity inhibitors of IGPD, and synthesized as inhibitors targeting IGPD in plants. Their structures were confirmed by 1H-NMR, 13C-NMR, 31P-NMR and HR-MS. The herbicidal evaluation performed by a Petri dish culture method showed that most compounds possessed moderate to good herbicidal activities. Six compounds were chosen for further herbicidal evaluation on barnyard grass by pot experiments. 1-(Diethoxyphosphoryl)-3-(4-phenyl-1H-1,2,3-triazol-1-yl)propan-2-yl 2-(naphthalen-1-yl)acetate (5-A3) and ethyl 1-(2-acetoxy-3-(diethoxyphosphoryl)propyl)-1H-1,2,3-triazole-4-carboxylate (5-B4) showed good herbicidal activities. Compared with the compounds with the best herbicidal activity ever reported, both compounds 5-A3 and 5-B4, which can inhibit the growth of barnyard grass at the concentration of 250g/hm2, efficiently gave rise to a nearly 4-fold increase of the herbicidal potency. However, their herbicidal activities were lower than that of acetochlor (62.5 g/hm2) in the pot experiments.

  1. Synthesis and herbicidal activity of novel 1-(Diethoxy-phosphoryl)-3-(4-one-1H-1,2,3-triazol-1-yl)-propan-2-yl carboxylic esters.

    PubMed

    Jin, Yan; Zhao, Hanqing; Lu, Huizhe; Kuemmel, Colleen M; Zhang, Jianjun; Wang, Daoquan

    2015-01-01

    A series of novel compounds, namely 1-(diethoxyphosphoryl)-3-(4-ones-1H-1,2,3-triazol-1-yl)propan-2-yl carboxylic esters, were designed on the basis of the diazafulvene intermediate of imidazole glycerol phosphate dehydratase (IGPD) and high-activity inhibitors of IGPD, and synthesized as inhibitors targeting IGPD in plants. Their structures were confirmed by 1H-NMR, 13C-NMR, 31P-NMR and HR-MS. The herbicidal evaluation performed by a Petri dish culture method showed that most compounds possessed moderate to good herbicidal activities. Six compounds were chosen for further herbicidal evaluation on barnyard grass by pot experiments. 1-(Diethoxyphosphoryl)-3-(4-phenyl-1H-1,2,3-triazol-1-yl)propan-2-yl 2-(naphthalen-1-yl)acetate (5-A3) and ethyl 1-(2-acetoxy-3-(diethoxyphosphoryl)propyl)-1H-1,2,3-triazole-4-carboxylate (5-B4) showed good herbicidal activities. Compared with the compounds with the best herbicidal activity ever reported, both compounds 5-A3 and 5-B4, which can inhibit the growth of barnyard grass at the concentration of 250g/hm2, efficiently gave rise to a nearly 4-fold increase of the herbicidal potency. However, their herbicidal activities were lower than that of acetochlor (62.5 g/hm2) in the pot experiments. PMID:25587785

  2. 5-Phenyl-3-(2-thien­yl)-1,2,4-triazolo[3,4-a]isoquinoline

    PubMed Central

    Khan, F. Nawaz; Manivel, P.; Prabakaran, K.; Hathwar, Venkatesha R.; Ng, Seik Weng

    2010-01-01

    In the title mol­ecule, C20H13N3S, the triazoloisoquinoline ring system is approximately planar, with an r.m.s. deviation of 0.045 Å and a maximum deviation of 0.090 (2) Å from the mean plane for the triazole ring C atom which is bonded to the thio­phene ring. The phenyl ring is twisted by 52.0 (1)° with respect to the mean plane of the triazoloisoquinoline ring system. The thio­phene ring is rotationally disordered by approximately 180° over two sites, the ratio of refined occupancies being 0.73 (1):0.27 (1). PMID:21579895

  3. Dichloridobis{2-[(1H-1,2,4-triazol-1-yl)meth­yl]-1H-benzimidazole-κN 3}­zinc(II)

    PubMed Central

    Zhang, Wei-Peng; Zhang, Jiao-Lin; Hao, Bao-Lian; Yang, Huai-Xia

    2013-01-01

    In the title complex, [ZnCl2(C10H9N5)2], the ZnII ion is coordinated by two N atoms from two 2-[(1H-1,2,4-triazol-1-yl)meth­yl]-1H-benzimidazole (tmb) ligands and by two chloride ligands in a slightly distorted tetra­hedral geometry. In the tmb ligands, the benzimidazole rings systems are essentially planar, with maximum deviations from the mean plane of 0.021 (3) and 0.030 (3) Å, and form dihedral angles of 73.2 (2) and 83.5 (2)° with the triazole rings. In the crystal, N—H⋯N hydrogen bonds link complex mol­ecules into chains along [010]. In addition, weak C—H⋯Cl and C—H⋯N hydrogen bonds complete a three-dimensional network. Two weak intra­molecular C—H⋯Cl hydrogen bonds are also observed. PMID:23723759

  4. Synthesis, SAR and biological evaluation of a novel series of 1-(2-chloroethyl)-1-nitroso-3-(2-(3-oxobenzoelenazol-2(3H)-yl)ethyl) urea: Organoselenium compounds for cancer therapy.

    PubMed

    Ye, S; Zheng, X; Hu, T; Zeng, H

    2016-06-30

    Thioredoxin reductase 1 (TrxR1) is an important potential anticancer drug target and closely related to both carcinogenesis and cancer progression. Ethaselen (BBSKE), a novel organoselenium compound inhibiting TrxR1 with selective antitumor effect, while its symmetrical structure results in poor solubility. Carmustine (BCNU), a DNA cross-link agent and also a deactivator of TrxR, is with high toxicity and low selectivity which limit its clinical application to some extents. Herein, a novel compound, 1-(2-chloroethyl)-1-nitroso-3-(2-(3-oxobenzoelenazol-2(3H)-yl)ethyl)urea(4a-1), which was designed through the combination of Ethaselen and Carmustine, showed good solubility, good tagetability, low toxicity and excellent antitumor activity by synergism. Using the structure of 4a-1 as a key active scaffold, a series of novel 1-(2-chloroethyl)-1-nitroso-3-(2-(3-oxobenzoelenazol-2(3H)-yl)ethyl)urea was designed, synthesized and evaluated to explore the structure-activity relationships (SARs) of these inhibitors and to improve their antitumor activities. Notably, 1-(2-chloroethyl)-3-(2-(6-fluoro-3-oxobenzoselenazol-2(3H)-yl)ethyl)-1-nitrosourea(4b-1) was found to exhibit more potent antitumor activities comparable to 4a-1 against all the four cancer cell lines, including Mia PaCa-2, PANC-1, RKO, LoVo. These results have highlighted compound 4b-1 as a new potential lead candidate for future development of novel potent broad-spectrum antitumor agents. In addition, a SAR model was established to conduct further structural modification.

  5. Green Tea (-)-Epigallotocatechin-3-Gallate Induces PGC-1α Gene Expression in HepG2 Cells and 3T3-L1 Adipocytes.

    PubMed

    Lee, Mak-Soon; Lee, Seohyun; Doo, Miae; Kim, Yangha

    2016-03-01

    Green tea (Camellia sinensis) is one of the most popular beverages in the world and has been acknowledged for centuries as having significant health benefits. (-)-Epigallocatechin-3-gallate (EGCG) is the most abundant catechin in green tea, and it has been reported to have health benefit effects. Peroxisome proliferator-activated receptor γ coactivator (PGC)-1α is a crucial regulator of mitochondrial biogenesis and hepatic gluconeogenesis. The objective of this study was to investigate whether EGCG from green tea can affect the ability of transcriptional regulation on PGC-1α mRNA expression in HepG2 cells and 3T3-L1 adipocytes. To study the molecular mechanism that allows EGCG to control PGC-1α expression, the promoter activity levels of PGC-1α were examined. The PGC-1α mRNA level was measured using quantitative real-time PCR. The -970/+412 bp of PGC-1α promoter was subcloned into the pGL3-Basic vector that includes luciferase as a reporter gene. EGCG was found to up-regulate the PGC-1α mRNA levels significantly with 10 μmol/L of EGCG in HepG2 cells and differentiated 3T3-L1 adipocytes. PGC-1α promoter activity was also increased by treatment with 10 μmol/L of EGCG in both cells. These results suggest that EGCG may induce PGC-1α gene expression, potentially through promoter activation. PMID:27069908

  6. Green Tea (−)-Epigallotocatechin-3-Gallate Induces PGC-1α Gene Expression in HepG2 Cells and 3T3-L1 Adipocytes

    PubMed Central

    Lee, Mak-Soon; Lee, Seohyun; Doo, Miae; Kim, Yangha

    2016-01-01

    Green tea (Camellia sinensis) is one of the most popular beverages in the world and has been acknowledged for centuries as having significant health benefits. (−)-Epigallocatechin-3-gallate (EGCG) is the most abundant catechin in green tea, and it has been reported to have health benefit effects. Peroxisome proliferator-activated receptor γ coactivator (PGC)-1α is a crucial regulator of mitochondrial biogenesis and hepatic gluconeogenesis. The objective of this study was to investigate whether EGCG from green tea can affect the ability of transcriptional regulation on PGC-1α mRNA expression in HepG2 cells and 3T3-L1 adipocytes. To study the molecular mechanism that allows EGCG to control PGC-1α expression, the promoter activity levels of PGC-1α were examined. The PGC-1α mRNA level was measured using quantitative real-time PCR. The −970/+412 bp of PGC-1α promoter was subcloned into the pGL3-Basic vector that includes luciferase as a reporter gene. EGCG was found to up-regulate the PGC-1α mRNA levels significantly with 10 μmol/L of EGCG in HepG2 cells and differentiated 3T3-L1 adipocytes. PGC-1α promoter activity was also increased by treatment with 10 μmol/L of EGCG in both cells. These results suggest that EGCG may induce PGC-1α gene expression, potentially through promoter activation. PMID:27069908

  7. Patriot Script 1.0.13 User Guide for PEM 1.3.2

    SciTech Connect

    Cleland, Timothy James; Kubicek, Deborah Ann; Stroud, Phillip David; Cuellar-Hengartner, Leticia; Mathis, Mark

    2015-11-02

    This document provides an updated user guide for Patriot Script Version 1.0.13, for release with PEM 1.3.1 (LAUR-1422817) that adds description and instructions for the new excursion capability (see section 4.5.1).

  8. 3-Hy-droxy-2,2-bis-(1H-pyrazol-1-yl)-cyclo-penta-none.

    PubMed

    Rybakov, Victor B; Utkina, Anastasia A; Kurkin, Alexander V; Yurovskaya, Marina A

    2012-03-01

    The title compound, C(11)H(12)N(4)O(2), was unexpectedly obtained in the reaction of α,α'-disubstituted cyclo-penta-none with 1,1,3,3-tetra-meth-oxy-propane in the presence of dioxane saturated with HCl. It belongs to a previously unknown class of gem-bihetaryl ketones which may be useful for screening of new substances with biological activity. In the studied structure, the cyclo-penta-none moiety adopts an envelope conformation, with the hy-droxy-bearing C atom as the flap [deviation from basal plane = 0.643 (3) Å]. The dihedral angle between the two pyrazole rings is 80.02 (8)°. In the crystal, inversion dimers are formed via a pair of O-H⋯N hydrogen bonds. PMID:22412705

  9. Evaluation of [3-(1-Methyl-1H–indol –3-yl-methylene)-2–oxo-2, 3–dihydro-1H- indole–5-sulfonamide] (OXSI-2), as a Syk selective inhibitor in platelets

    PubMed Central

    Bhavaraju, Kamala; Kim, Soochong; Daniel, James L.; Kunapuli, Satya P.

    2008-01-01

    In the present study, we characterized OXSI-2 ([3-(1-Methyl-1H–indol –3-yl-methylene)-2–oxo-2, 3–dihydro-1H- indole–5-sulfonamide], a putative inhibitor of Syk, and determined its specificity and selectivity in platelets. We found that OXSI-2 completely abolished convulxin-induced platelet functional responses. In order to determine whether OXSI-2 inhibited Src family kinase-mediated platelet responses, we evaluated its effect on Src family kinase (SFK)-mediated signaling events in platelets, viz. Lyn-mediated phosphorylation of Y352 on Syk, LAT- Y191 phosphorylation by Syk, and protease-activated receptor (PAR)-mediated phosphorylation of ERK. In the present work, we report that convulxin mediated Syk tyrosine 352 phosphorylation is not inhibited by OXSI-2, whereas piceatannol and PP2 abolished it. Syk-mediated Y191 LAT phosphorylation is abolished by all the three inhibitors. AYPGKF-induced phosphorylation of ERK was marginally inhibited by OXSI-2, whereas treatment with PP2 and piceatannol completely abolished it. However, PAR mediated thromboxane generation (an event mediated by ERK) was potentiated by OXSI-2 whereas PP2 and piceatannol brought thromboxane to basal levels. Protein kinase C (PKC) inhibitors are known to potentiate PAR-mediated thromboxane generation in platelets. In contrast, OXSI-2, unlike PKC inhibitors, did not inhibit secretion. Therefore, we conclude that OXSI-2 is not a Syk-selective inhibitor in platelets because of its unexplained non-specific effects. PMID:18068154

  10. Factor Xa inhibitors: S1 binding interactions of a series of N-{(3S)-1-[(1S)-1-methyl-2-morpholin-4-yl-2-oxoethyl]-2-oxopyrrolidin-3-yl}sulfonamides.

    PubMed

    Chan, Chuen; Borthwick, Alan D; Brown, David; Burns-Kurtis, Cynthia L; Campbell, Matthew; Chaudry, Laiq; Chung, Chun-wa; Convery, Máire A; Hamblin, J Nicole; Johnstone, Lisa; Kelly, Henry A; Kleanthous, Savvas; Patikis, Angela; Patel, Champa; Pateman, Anthony J; Senger, Stefan; Shah, Gita P; Toomey, John R; Watson, Nigel S; Weston, Helen E; Whitworth, Caroline; Young, Robert J; Zhou, Ping

    2007-04-01

    Factor Xa inhibitory activities for a series of N-{(3S)-1-[(1S)-1-methyl-2-morpholin-4-yl-2-oxoethyl]-2-oxopyrrolidin-3-yl}sulfonamides with different P1 groups are described. These data provide insight into binding interactions within the S1 primary specificity pocket; rationales are presented for the derived SAR on the basis of electronic interactions through crystal structures of fXa-ligand complexes and molecular modeling studies. A good correlation between in vitro anticoagulant activities with lipophilicity and the extent of human serum albumin binding is observed within this series of potent fXa inhibitors. Pharmacokinetic profiles in rat and dog, together with selectivity over other trypsin-like serine proteases, identified 1f as a candidate for further evaluation.

  11. Underlying mechanisms of the synergistic role of Li2MnO3 and LiNi1/3Co1/3Mn1/3O2 in high-Mn, Li-rich oxides.

    PubMed

    Lim, Jin-Myoung; Kim, Duho; Park, Min-Sik; Cho, Maenghyo; Cho, Kyeongjae

    2016-04-28

    For large-scale energy storage applications requiring high energy density, the development of Li-rich oxides with enhanced cyclic stabilities during high-voltage operations and large specific capacities is required. In this regard, high-Mn, Li-rich oxides (HMLOs; xLi2MnO3 (1 - x)LiNi1/3Co1/3Mn1/3O2 at x > 0.5) warrant an in-depth study because of their good cyclic performance at high operating voltages and potentially large specific capacities. Here, to understand the synergistic effects and enhanced cyclic stability of HMLOs, mechanically blended HMLO (m-HMLO) and chemically bonded HMLO (c-HMLO) were prepared and investigated. c-HMLO exhibits relatively high reaction voltages, large specific capacities, and enhanced cyclic stabilities (∼99%) at a high operating voltage (∼4.8 V vs. Li/Li(+)) compared with m-HMLO. First-principles calculations with electronic structure analysis were performed using an atomic model developed by Rietveld refinement using as-synthesised c-HMLO. The redox mechanisms of Ni, Co, and Mn ions were determined via the partial density of states of the ground states predicted using the cluster expansion method, which elucidates that LiNi1/3Co1/3Mn1/3O2 stabilises the transition metal (TM) layer of Li2MnO3 and separates Li delithiation potentials in Li2MnO3 in the HMLO. Kinetic analyses including electronic structures revealed that the interlayer migration of TMs from the TM layer to the Li layer depends on the crystal field stabilisation. Thus, TMs with reduced character in the tetrahedral sites than the octahedral sites owing to the effects of crystal field stabilisation, such as Ni ions, in HMLOs would face a higher interlayer migration barrier, impeding phase transformation into spinel phases. Furthermore, Cu ions could constitute a doping source for HMLOs to improve the material's cyclic stability through this mechanism. These characteristics may be widely applied to explain experimental phenomena and improve the properties of cathode

  12. Superior electrochemical properties of Li(Ni1/3Co1/3Mn1/3)O2/C synthesized by the precursor solid-phase method

    NASA Astrophysics Data System (ADS)

    Jiang, Qianqian; Xu, Lei; Li, Xingyue; Zhang, Han

    2015-10-01

    Li(Ni1/3Co1/3Mn1/3)O2 as a cathode material for lithium batteries is synthesized by the precursor solid-phase method. Firstly, the precursor Ni1/3Co1/3Mn1/3(OH)2 is prepared. And then, Li(Ni1/3Co1/3Mn1/3)O2 is synthesized. In order to improve the electrochemical performance of the material, the Li(Ni1/3Co1/3Mn1/3)O2 is coated with a carbon layer. Electrochemical performance shows that the as-prepared pristine Li(Ni1/3Co1/3Mn1/3)O2 exhibits a high initial discharge capacity of 189.7 mAh g-1, and the specific capacity increases to 219.6 mAh g-1 modified by carbon coating. Moreover, it exhibits excellent cycling maintaining 95.04 % of its initial discharge capacity after 100 charge-discharge cycles, which is much higher than the pristine Li(Ni1/3Co1/3Mn1/3)O2. Moreover, when cycles at 1 C, the discharge of Li(Ni1/3Co1/3Mn1/3)O2 is only 132.5 mAh g-1, it increases to 211.3 mAh g-1 due to the appropriate carbon layer. All the tests show that Li(Ni1/3Co1/3Mn1/3)O2/C has excellent electrochemical performance, which is attributed to avoid the core material direct contact with the acidic electrolyte and suppression of Mn+ dissolution into electrolyte via carbon layer and greatly improve the electronic and ionic conductivities.

  13. Macrophyllin-type bicyclo[3.2.1]octanoid neolignans from the leaves of Pleurothyrium cinereum.

    PubMed

    Coy, Ericsson D; Cuca, Luis E; Sefkow, Michael

    2009-07-01

    Four new macrophyllin-type bicyclo[3.2.1]octanoid neolignans, (7S,8R,3'S,5'R)-Delta(8')-5,5',3'-trimethoxy-3,4-methylenedioxy-2',3',4',5'-tetrahydro-2',4'-dioxo-7.3',8.5'-neolignan (cinerin A), 1, (7R,8R,3'S,4'R,5'R)-Delta(8')-4'-hydroxy-5,5'-dimethoxy-3,4-methylenedioxy-2',3',4',5'-tetrahydro-2'-oxo-7.3',8.5'-neolignan (cinerin B), 2, (7S,8R,3'R,4'S,5'R)-Delta(8')-4'-hydroxy-5,5',3'-trimethoxy-3,4-methylenedioxy-2',3',4',5'-tetrahydro-2'-oxo-7.3',8.5'-neolignan (cinerin C), 3, and (7S,8R,2'R,3'S,5'R)-Delta(8')-2'-hydroxy-5,5'-dimethoxy-3,4-methylenedioxy-2',3',4',5'-tetrahydro-4'-oxo-7.3',8.5'-neolignan (cinerin D), 4, along with the known diterpene kaurenoic acid 5, were isolated from the leaves of Pleurothyrium cinereum. The structures and configuration of these compounds were determined by extensive spectroscopic analysis. Cinerins A-D (1-4) were tested for their inhibition efficacy of platelet activating factor (PAF)-induced aggregation of rabbit platelets. Compound 3 was the most potent PAF antagonist. Compounds 1-5 were tested against Mycobacterium tuberculosis (H(37)Rv strain) using the MABA method. Compound 5 induced 91.3% growth inhibition at 50 microg mL(-1). Compounds 1-5 showed no significant inhibitory activity against some Gram-positive and Gram-negative bacteria by the agar-well diffusion method. PMID:19548690

  14. 49 CFR 173.115 - Class 2, Divisions 2.1, 2.2, and 2.3-Definitions.

    Code of Federal Regulations, 2012 CFR

    2012-10-01

    ... kPa (14.7 psia) of pressure (a material which has a boiling point of 20 °C (68 °F) or less at 101.3... pressure of 101.3 kPa (14.7 psia) (a material which has a boiling point of 20 °C (68 °F) or less at 101.3 k... gas having a boiling point colder than -−90 °C (−130 °F) at 101.3 kPa (14.7 psia) absolute. A...

  15. 1,2-Ethanediol and 1,3-Propanediol Conversions over (MO3)3 (M = Mo, W) Nanoclusters: A Computational Study.

    PubMed

    Fang, Zongtang; Zetterholm, Patrick; Dixon, David A

    2016-03-24

    The dehydration and dehydrogenation reactions of one and two 1,2-ethanediol and 1,3-propanediol molecules on (MO3)3 (M = Mo, W) nanoclusters have been studied computationally using density functional and coupled cluster (CCSD(T)) theory. The reactions are initiated by the formation of a Lewis acid-base complex with an additional hydrogen bond. Dehydration is the dominant reaction proceeding via a metal bisdiolate. Acetaldehyde, the major product for 1,2-ethanediol, is produced by α-hydrogen transfer from one CH2 group to the other. For 1,3-propanediol, the C-C bond breaking pathways to produce C2H4 and HCH═O simultaneously and proton transfer to generate propylene oxide have comparable barrier energies. The barrier to produce propanal from the propylene oxide complex is less than that for epoxide release from the cluster. On the Mo3O9 cluster, a redox reaction channel for 1,2-ethanediol to break the C-C bond to form two formaldehyde molecules and then to produce C2H4 is slightly more favorable than the formation of acetaldehyde. For W(VI), the energy barrier for the reduction pathway is larger due to the lower reducibility of W3O9. Similar reduction on Mo(VI) for 1,3-propanediol to form propene is not a favorable pathway compared with the other pathways as additional C-H bond breaking is required in addition to breaking a C-C bond. The dehydrogenation and dehydration activation energies for the selected glycols are larger than the reactions of ethanol and 1-propanol on the same clusters. The CCSD(T) method is required because density functional theory with the M06 and B3LYP functionals does not predict quantitative energies on the potential energy surface. The M06 functional performs better than does the B3LYP functional. PMID:26901665

  16. Synthesis of 8-phenyl-10H-pyrido(1,2-. cap alpha. )indole salts from 2,3,3-trimethyl-3H-indole chlorides with cinnamaldehyde

    SciTech Connect

    Shachkus, A.A.; Degutis, Yu.A.

    1987-10-01

    Reaction of 2,3,3-trimethyl-3H-indole chloride with cinnamic and 4-dimethylaminocinnamic aldehydes led to salts of 8-phenyl and 8-(4-dimethylaminophenyl)-10,10-dimethyl-10H-pyrido(1,2-..cap alpha..)indole. PMR spectra were recorded on a Tesla BS-487C (80 MHz) instrument (internal standard HMDS) and IR spectra on a UR-20 spectrometer (KBr pellets).

  17. Preparation of 1,3,5-triamino-2,4,6-trinitrobenzene from 3,5-dichloroanisole

    SciTech Connect

    Ott, Donald G.; Benziger, Theodore M.

    1991-01-01

    Preparation of 1,3,5-triamino-2,4,6-trinitrobenzene (TATB) from 3,5-dichloroanisole. Nitration of 3,5-dichloroanisole under relatively mild conditions gave 3,5-dichloro-2,4,6-trinitroanisole in high yield and purity. Ammonolysis of this latter compound gave the desired TATB. Another route to TATB was through the treatment of the 3,5-dichloro-2,4,6-trinitroanisole with thionyl chloride and dimethylformamide to yield 1,3,5-trichloro-2,4,6-trinitrobenzene. Ammonolysis of this product produced TATB.

  18. Preparation of 1,3,5-triamino-2,4,6-trinitrobenzene from 3,5-dichloroanisole

    SciTech Connect

    Ott, D.G.; Benziger, T.M.

    1991-03-05

    Preparation of 1,3,5-triamino-2,4,6-trinitrobenzene (TATB) from 3,5-dichloroanisole is described. Nitration of 3,5-dichloroanisole under relatively mild conditions gave 3,5-dichloro-2,4,6-trinitroanisole in high yield and purity. Ammonolysis of this latter compound gave the desired TATB. Another route to TATB was through the treatment of the 3,5-dichloro-2,4,6-trinitroanisole with thionyl chloride and dimethylformamide to yield 1,3,5-trichloro-2,4,6-trinitrobenzene. Ammonolysis of this product produced TATB. 8 figures.

  19. Preparation of 1,3,5-triamino-2,4,6-trinitrobenzene from 3,5-dichloranisole

    SciTech Connect

    Ott, Donald G.; Benziger, Theodore M.

    1990-01-01

    Preparation of 1,3,5-triamino-2,4,6-trinitrobenzene (TATB) from 3,5-dichloroanisole. Nitration of 3,5-dichloroanisole under relatively mild conditions gave 3,5-dichloro-2,4,6-trinitroanisole in high yield and purity. Ammonolysis of this latter compound gave the desired TATB. Another route to TATB was through the treatment of the 3,5-dichloro-2,4,6-trinitroanisole with thionyl chloride and dimethylformamide to yield 1,3,5-trichloro-2,4,6-trinitrobenzene. Ammonolysis of this product produced TATB.

  20. Decorated Shastry-Sutherland lattice in the spin-(1)/(2) magnet CdCu2(BO3)2

    NASA Astrophysics Data System (ADS)

    Janson, O.; Rousochatzakis, I.; Tsirlin, A. A.; Richter, J.; Skourski, Yu.; Rosner, H.

    2012-02-01

    We report the microscopic magnetic model for the spin-1/2 Heisenberg system CdCu2(BO3)2, one of the few quantum magnets showing the 1/2-magnetization plateau. Recent neutron diffraction experiments on this compound [M. Hase , Phys. Rev. BPLRBAQ0556-280510.1103/PhysRevB.80.104405 80, 104405 (2009)] evidenced long-range magnetic order, inconsistent with the previously suggested phenomenological magnetic model of isolated dimers and spin chains. Based on extensive density functional theory band structure calculations, exact diagonalizations, quantum Monte Carlo simulations, third-order perturbation theory as well as high-field magnetization measurements, we find that the magnetic properties of CdCu2(BO3)2 are accounted for by a frustrated quasi-2D magnetic model featuring four inequivalent exchange couplings: the leading antiferromagnetic coupling Jd within the structural Cu2O6 dimers, two interdimer couplings Jt1 and Jt2, forming magnetic tetramers, and a ferromagnetic coupling Jit between the tetramers. Based on comparison to the experimental data, we evaluate the ratios of the leading couplings Jd : Jt1 : Jt2 : Jit = 1 : 0.20 : 0.45 : -0.30, with Jd of about 178 K. The inequivalence of Jt1 and Jt2 largely lifts the frustration and triggers long-range antiferromagnetic ordering. The proposed model accounts correctly for the different magnetic moments localized on structurally inequivalent Cu atoms in the ground-state magnetic configuration. We extensively analyze the magnetic properties of this model, including a detailed description of the magnetically ordered ground state and its evolution in magnetic field with particular emphasis on the 1/2-magnetization plateau. Our results establish remarkable analogies to the Shastry-Sutherland model of SrCu2(BO3)2, and characterize the closely related CdCu2(BO3)2 as a material realization for the spin-1/2 decorated anisotropic Shastry-Sutherland lattice.