Science.gov

Sample records for doped ammonium dihydrogen

  1. Growth of DL-malic acid-doped ammonium dihydrogen phosphate crystal and its characterization

    NASA Astrophysics Data System (ADS)

    Rajesh, P.; Ramasamy, P.

    2009-06-01

    Single crystals of DL-malic acid-doped ammonium dihydrogen phosphate have been grown using slow evaporation method and also by Sankaranarayanan-Ramasamy (SR) method with the vision to improve the properties of the ADP crystals. The characterization of grown crystals was made by single-crystal X-ray diffraction, powder X-ray diffraction, UV-vis. spectroscopy, Fourier transform infrared spectroscopy (FTIR), differential thermal analysis (DTA), Vicker's microhardness, dielectric measurements, high-resolution X-ray diffraction (HRXRD) and second-harmonic studies. Structural difference between pure and doped crystal has been studied by XRD analysis. Functional groups were identified by FTIR spectroscopy. The grown crystals were found to be transparent in the entire visible region. Decomposition temperatures of the grown crystals were measured by DTA. Vicker's hardness study carried out on (0 0 1) face at room temperature shows increased hardness of the doped crystals and SR-method-grown crystals. Dielectric measurements reveal that SR-method-grown DLM-doped ADP crystals have low dielectric loss. Crystalline perfection of the grown crystals is analyzed using HRXRD. Preliminary measurements indicate that the second harmonic generation efficiency of the doped crystals at a fundamental wavelength of 1064 nm is roughly 1.5 times greater than that of pure ADP.

  2. Single crystal EPR, optical absorption and superposition model study of Cr 3+ doped ammonium dihydrogen phosphate

    NASA Astrophysics Data System (ADS)

    Kripal, Ram; Pandey, Sangita

    2010-06-01

    The electron paramagnetic resonance (EPR) studies are carried out on Cr 3+ ion doped ammonium dihydrogen phosphate (ADP) single crystals at room temperature. Four magnetically inequivalent sites for chromium are observed. No hyperfine structure is obtained. The crystal-field and spin Hamiltonian parameters are calculated from the resonance lines obtained at different angular rotations. The zero field and spin Hamiltonian parameters of Cr 3+ ion in ADP are calculated as: | D| = (257 ± 2) × 10 -4 cm -1, | E| = (79 ± 2) × 10 -4 cm -1, g = 1.9724 ± 0.0002 for site I; | D| = (257 ± 2) × 10 -4 cm -1, | E| = (77 ± 2) × 10 -4 cm -1, g = 1.9727 ± 0.0002 for site II; | D| = (259 ± 2) × 10 -4 cm -1, | E| = (78 ± 2) × 10 -4 cm -1, g = 1.9733 ± 0.0002 for site III; | D| = (259 ± 2) × 10 -4 cm -1, | E| = (77 ± 2) × 10 -4 cm -1, g = 1.973 ± 0.0002 for site IV, respectively. The site symmetry of Cr 3+ doped single crystal is discussed on the basis of EPR data. The Cr 3+ ion enters the lattice substitutionally replacing the NH 4+ sites. The optical absorption spectra are recorded in 195-925 nm wavelength range at room temperature. The energy values of different orbital levels are determined. On the basis of EPR and optical data, the nature of bonding in the crystal is discussed. The calculated values of Racah interelectronic repulsion parameters ( B and C), cubic crystal-field splitting parameter ( Dq) and nephelauxetic parameters ( h and k) are: B = 640, C = 3070, Dq = 2067 cm -1, h = 1.44 and k = 0.21, respectively. ZFS parameters are also determined using Bkq parameters from superposition model.

  3. A comparative study on pure, L-arginine and glycine doped ammonium dihydrogen orthophosphate single crystals grown by slow solvent evaporation and temperature-gradient method

    NASA Astrophysics Data System (ADS)

    Pattanaboonmee, N.; Ramasamy, P.; Yimnirun, R.; Manyum, P.

    2011-01-01

    Single crystals of pure, L-arginine and glycine doped ammonium dihydrogen orthophosphate (ADP) were grown by both the slow solvent evaporation method and the temperature-gradient method of Sankaranarayanan-Ramasamy (SR). The metastable zone width for different saturation temperatures of pure glycine and L-arginine added solutions were carried out. The grown crystals were characterized by differential scanning calorimetry (DSC), thermogravimetric analysis (TGA), powder X-ray diffraction (XRD), optical transmission, dielectric constant, dielectric loss, and Vickers microhardness. The DSC and TG curves of the grown crystals indicated that they were stable up to 200 °C. The XRD study confirmed the structure of the grown crystal. The optical transmission analysis revealed that the pure and doped ADP crystals had very high percentage of transmission in the entire visible region. The important optical parameters such as reflectance and extinction coefficients of the grown crystals were calculated. L-arginine and glycine were used as dopants to reduce dielectric constant of ADP. The a.c. resistivity and a.c. conductivity were calculated. Dielectric loss of the doped ADP crystals grown by the SR method is lower than the doped ADP crystals grown by the conventional method. Larger hardness value for the SR method grown crystals confirmed greater crystalline perfection.

  4. Hybrid organic-inorganic crystals based on ammonium dihydrogen phosphate and ammonium salicylate

    NASA Astrophysics Data System (ADS)

    Voronov, A. P.; Salo, V. I.; Puzikov, V. M.; Babenko, G. N.; Roshal, A. D.; Tkachenko, V. F.

    2011-11-01

    ADP-NH 4Sal hybrid crystals are grown from aqueous solutions. The influence of the acidity of the mixed solution on the conditions of co-crystallization of the components is studied. The spectral and scintillation characteristics are determined. Co-crystallization of ammonium salicylate (NH 4Sal) and ammonium dihydrogen phosphate (ADP, NH 4H 2PO 4) is shown to be feasible, the structure of the doping addition being defined by the solution рН. In basic and weak acidic media the hybrid crystals ADP:NH 4Sal are formed in which salicylate anions are located in the interplanar space between the {110}-type planes in the lattice of ADP. The luminescence spectra contain an emission band maximum with λ max=360 nm. In acidic solutions there are ADP:HSal crystals in which salicylic acid molecules captured by the growth macrosteps are located in the interplanar space of the prismatic {100} and pyramidal {101} growth sectors. The luminescence band undergoes bathochromic shift to λmax=400 nm. The sensitivity of ADP:NH 4Sal scintillation crystals to fast neutrons depends on the concentration of ammonium salicylate in ADP matrix. The highest neutron sensitivity is characteristic of the co-doped ADP:NH 4Sal/Tl scintillation crystals.

  5. Di-ethyl-ammonium di-hydrogen orthophosphate.

    PubMed

    Held, Peter

    2014-02-01

    In the title molecular salt, [NH2(CH2CH3)2][H2PO4], two unique types of cations and anions, which are configurationally very similar, are present in the asymmetric unit. Both ions form sheets approximately parallel to (-1-1) linked by weak hydrogen bonds. The inter-connection within and between the sheets is reinforced by O-H⋯O and N-H⋯O hydrogen bonds involving the tetra-hedral H2PO4 anions and the ammonium groups.

  6. Phase transitions in potassium ammonium dihydrogen phosphate single crystals

    NASA Astrophysics Data System (ADS)

    Bromberek, Marek

    An apparatus for growing single crystals from aqueous solution by the slow evaporation method was constructed. Mixed crystals of K1-x(NH 4)xH2PO4 (KADP) with (NH4)H 2PO4 (ADP) fractions of 0.021 and 0.12 were successfully grown. Their composition was determined by means of the x-ray powder diffraction method. This analysis also suggests that those crystals are a mixture of two phases even at room temperature. The details of the structure of the additional phase could not be determined. The dielectric constant epsilon of the mixed crystals as well as pure KH2PO4 (KDP) was measured along the polar axis in the temperature range from 20 K to 300 K. The frequency range of the applied electric field was from 100 Hz to 10 MHz. The data were analyzed by means of the standard Landau theory of phase transitions with coupling terms reflecting the interaction between the electric and elastic degrees of freedom. The temperature dependence of epsilon follows a typical Curie-Weiss behavior in the range of approximately 30 K aboveTc for all crystals studied. The value of the critical temperature decreases with increasing ammonium ion content in agreement with previously published results. The analysis of the frequency dependence of the dielectric susceptibility clearly indicates the existence of two dispersion processes: resonant and relaxational. The former is attributed to the piezoelectric activity of all the crystals studied. The latter is the result of the response of the permanent dipole moments present in ferroelectric crystals to the applied electric field. In the case of mixed crystals the relaxational dispersion is characterized by a distribution of relaxation times. Its mean relaxation time as well as its width increases with decreasing T. This is a typical behavior for mixed crystals for which the two end members of the solid solution in their pure form undergo ferroelectric and antiferroelectric phase transitions, respectively. This behavior is a result of competing

  7. Phase Coexistence in the Mixed Crystal RUBIDIUM(1-X) Ammonium(x) Dihydrogen Arsenate

    NASA Astrophysics Data System (ADS)

    Pinto, Nicholas Joaquim

    1992-01-01

    A study of the coexistence phenomenon in mixed crystals of rubidium ammonium dihydrogen arsenate has been done. Coexistence in this study refers to the simultaneous presence of ferroelectric and proton glass phases as temperature is lowered below the ferroelectric phase transition temperature T_{c}. Such coexistence is found to exist in these mixed crystals only for small ammonium concentrations. Our results show that coexistence exists for lower ammonium concentration than previously suggested. A study was also done on crystals with larger ammonium concentrations that show pure proton glass behavior and the results compared with the coexistence phenomenon. Dielectric, spontaneous polarization and nuclear magnetic resonance experiments on mixed crystals with small ammonium concentrations show that at low temperatures there exists intimate coexistence of ferroelectric clusters with proton glass clusters below the glass transition temperature T_{g}. In the proton glass phase, we observe a spread of relaxation times due to the creation and annihilation of HAsO_4 and H_3AsO_4 pairs as they diffuse through the crystal. Spin lattice relaxation times for the acid deuterons in a 10% ammoniated sample show a broad T_1 minimum near the glass transition temperature which is characteristic of proton glasses. Field-cooling experiments were also done on the pure proton glass. The results are consistent with dielectric measurements, but the remanent polarization was found to be extremely small. This polarization was found to depend on the rate of heating and cooling the sample while performing the experiment.

  8. Structural reinvestigation of ammonium hypophosphite: was dihydrogen bonding observed long ago?

    PubMed

    Marincean, Simona; Custelcean, Radu; Stein, Robin S; Jackson, James E

    2005-01-10

    The past decade has seen the explosive emergence of "dihydrogen bonds", interactions between the electrons of M-H sigma-bonds, where M is less electronegative than H (M = Al, B, Ga, Ir, Mo, Mn, Os, Re, Ru, W) and traditional proton donors. But 70 years ago, such an interaction was proposed by Zachariasen and Mooney [J. Chem. Phys. 1934, 2, 34-37] on the basis of their single-crystal X-ray diffraction structure (heavy atoms positions only) of ammonium hypophosphite (NH(4)H(2)PO(2)). We redetermined this structure at high resolution with a focus on the hydrogen atoms, using a modern diffractometer equipped with a CCD detector. Molecular orbital calculations were performed to investigate the charge density and the bond polarity of the P-H bonds and to assess their potential for participation in dihydrogen bonds. Neither the theory nor the X-ray structure supports the original claim of H...H interactions in this salt.

  9. Antisolvent crystallization of aqueous ammonium dihydrogen phosphate solutions by addition of methanol

    NASA Astrophysics Data System (ADS)

    Sangwal, Keshra; Mielniczek-Brzóska, Ewa

    2016-10-01

    Experimental results of antisolvent crystallization of ammonium dihydrogen phosphate from their aqueous solutions saturated at 30 °C by addition of methanol at preselected feeding rate RA, studied by in situ measurements of laser beam intensity I transmitted through solutions and their temperature T as functions of feeding time t for methanol at rate RA, are described and discussed. It was found that (1) measurement of temperature of solutions during antisolvent feeding is more informative and is more reliable than transmitted laser beam intensity measurements, (2) there are two regions of methanol feeding durations involving endothermic reactions and one region involving exothermic reactions, (3) the data of metastable zone width determined from the values of maximum antisolvent content Δxmax calculated from methanol feeding duration are reliable when the temperature difference ΔT=Ts-Tw, where Ts and Tw are temperatures of solution and water, respectively, for theoretical analysis, (4) rates ΔT/Δt of linear changes in temperatures of solution and water with methanol feeding time t increases with feeding rate RA, and (5) the maximum changes ΔTmax in the temperature of solution and water are related to antisolvent content Δx associated with their appearance. It is argued that feeding of antisolvent methanol to saturated solutions or water leads to chemical reactions with evolution of heat.

  10. Pyrolysis of rice straw with ammonium dihydrogen phosphate: Properties and gaseous potassium release characteristics during combustion of the products.

    PubMed

    Li, Hui; Han, Kuihua; Wang, Qian; Lu, Chunmei

    2015-12-01

    The effect of ammonium dihydrogen phosphate (NH4H2PO4) on rice straw (RS) carbonization was evaluated at temperatures of 350-650°C. The carbonized products of RS with NH4H2PO4 show higher solid and energy yields, but lower higher heating values than the carbonized RS at every carbonization temperature. The optimum carbonization operation of RS with NH4H2PO4 which has a higher energy yield at a lower solid volume may be determined between 350 and 450°C, and RS with NH4H2PO4 carbonized at 450°C presents better pore properties than carbonized RS. The carbonized products of RS with NH4H2PO4 all have lower gaseous potassium release ratios than those of RS carbonized at the same temperature at combustion temperatures of 700-1000°C by retaining potassium in non-volatile phosphorus compounds with high melting points. It is an effective method for inhibiting the gaseous potassium release during combustion of the carbonized products. Copyright © 2015 Elsevier Ltd. All rights reserved.

  11. Studies on L-citrulline doped potassium dihydrogen phosphate- A non linear crystal with significant nonlinear properties

    NASA Astrophysics Data System (ADS)

    Sreevalsa, V. G.; Jayalekshmi, S.

    2014-01-01

    Potassium Dihydrogen Phosphate (KDP) single crystal is considered as one of the best representative of nonlinear optical crystals. Recently, amino acids having excellent nonlinear optical characteristics are being investigated as prospective dopants to improve the non linear optical characteristics of KDP. The present work is an attempt in this direction and L citrulline, one of the non essential amino acids showing good non linear optical characteristics is used as the dopant for KDP. Good quality crystals of L-citrulline doped KDP crystals were grown by slow evaporation technique. From the powder X-ray diffraction studies of doped KDP crystal, the structure of the doped crystals was determined by direct method and refined by Pawley method employing Topaz version program using the single crystal X-ray data for pure KDP. The lattice parameters for L citrulline doped KDP are a=7.467A0, b=7.467 A0, c=6.977 A0. The crystal falls into the tetragonal crystal system with space group I42 d. The presence of carbon and oxygen, which are primary components of amino acids, in the EDAX spectrum confirms the effectiveness of doping. The absorption spectra of the doped samples show that the crystals are transparent in the entire visible region. The second harmonic generation efficiency of the doped samples was determined by Kurtz powder technique using the Q-switched Nd:YAG laser beam and is found to be 2.2 times that of KDP. The nonlinear optical properties can be well studied by the open aperture Z scan technique. The open aperture curve exhibits a normalized transmittance valley. The nonlinear absorption coefficient β is obtained by theoretical fitting for two photon absorption. It is inferred that doping KDP with L citrulline has enhanced the nonlinearity considerably. This obviously suggests the potentiality of the crystal as an optical power limiter and also for various optical device applications.

  12. Studies on L-citrulline doped potassium dihydrogen phosphate- A non linear crystal with significant nonlinear properties

    SciTech Connect

    Sreevalsa, V. G. E-mail: jayalekshmi@cusat.ac.in; Jayalekshmi, S. E-mail: jayalekshmi@cusat.ac.in

    2014-01-28

    Potassium Dihydrogen Phosphate (KDP) single crystal is considered as one of the best representative of nonlinear optical crystals. Recently, amino acids having excellent nonlinear optical characteristics are being investigated as prospective dopants to improve the non linear optical characteristics of KDP. The present work is an attempt in this direction and L citrulline, one of the non essential amino acids showing good non linear optical characteristics is used as the dopant for KDP. Good quality crystals of L-citrulline doped KDP crystals were grown by slow evaporation technique. From the powder X-ray diffraction studies of doped KDP crystal, the structure of the doped crystals was determined by direct method and refined by Pawley method employing Topaz version program using the single crystal X-ray data for pure KDP. The lattice parameters for L citrulline doped KDP are a=7.467A{sup 0}, b=7.467 A{sup 0}, c=6.977 A{sup 0}. The crystal falls into the tetragonal crystal system with space group I42 d. The presence of carbon and oxygen, which are primary components of amino acids, in the EDAX spectrum confirms the effectiveness of doping. The absorption spectra of the doped samples show that the crystals are transparent in the entire visible region. The second harmonic generation efficiency of the doped samples was determined by Kurtz powder technique using the Q-switched Nd:YAG laser beam and is found to be 2.2 times that of KDP. The nonlinear optical properties can be well studied by the open aperture Z scan technique. The open aperture curve exhibits a normalized transmittance valley. The nonlinear absorption coefficient β is obtained by theoretical fitting for two photon absorption. It is inferred that doping KDP with L citrulline has enhanced the nonlinearity considerably. This obviously suggests the potentiality of the crystal as an optical power limiter and also for various optical device applications.

  13. Synthesis of phospholipids in microstructures, prepared by the interaction of ammonium thiocyanate, minerals, calcium acetate, potassium dihydrogen phosphate, and formaldehyde.

    PubMed

    Ranganayaki, S; Srivastava, B; Bahadur, K

    1980-01-01

    The photochemically formed microstructures, synthesized in sterilized aqueous mixture containing ammonium thiocyanate and formaldehyde in appropriate mineral environment in the presence of ferric chloride, on exposure to sunlight revealed the presence of phospholipids. The microsturctures synthesized in the unexposed mixture showed a less degree of synthesis. The microstructures showed the formation of amino acids, peptides, organic acids, and sugars as well.

  14. Numerical simulation of self-compressed second-harmonic generation in type II potassium dihydrogen phosphate with a time predelay for Yb-doped solid-state lasers.

    PubMed

    Harimoto, Tetsuo; Aoyama, Makoto; Yamakawa, Koichi

    2007-12-24

    We report numerical results of second-harmonic generation in a type II potassium dihydrogen phosphate crystal with a time predelay for picosecond and/or femtosecond Yb-doped solid-state lasers, and clarify the dependence of the self compression in the second-harmonic laser pulse on the initial frequency chirp, fundamental duration and intensity, and phase-mismatching angle. We also show numerically the generation possibility of a self-compressed second-harmonic laser pulse near 20 fs.

  15. Detailed mechanisms of (1)H spin-lattice relaxation in ammonium dihydrogen phosphate confirmed by magic angle spinning.

    PubMed

    Hayashi, Shigenobu; Jimura, Keiko

    2017-07-08

    Mechanisms of the (1)H spin-lattice relaxation in NH4H2PO4 were studied in detail by use of the effect of magic angle spinning on the relaxation. The acid and the ammonium protons have different relaxation times at the spinning rates higher than 10 kHz due to suppression of spin diffusion between the two kinds of protons. The intrinsic relaxation times not affected by the spin diffusion and the spin-diffusion assisted relaxation times were evaluated separately, taking into consideration temperature dependence. Both mechanisms contribute to the (1)H relaxation of the acid protons comparatively. The spin-diffusion assisted relaxation mechanism was suppressed to the level lower than the experimental errors at the spinning rate of 30 kHz. Copyright © 2017 Elsevier Inc. All rights reserved.

  16. Theoretical calculation of zero field splitting parameters of Cr3+ doped ammonium oxalate monohydrate

    NASA Astrophysics Data System (ADS)

    Kripal, Ram; Yadav, Awadhesh Kumar

    2015-06-01

    Zero field splitting parameters (ZFSPs) D and E of Cr3+ ion doped ammonium oxalate monohydrate (AOM) are calculated with formula using the superposition model. The theoretically calculated ZFSPs for Cr3+ in AOM crystal are compared with the experimental value obtained by electron paramagnetic resonance (EPR). Theoretical ZFSPs are in good agreement with the experimental ones. The energy band positions of optical absorption spectra of Cr3+ in AOM crystal calculated with CFA package are in good match with the experimental values.

  17. Codeine dihydrogen phosphate hemihydrate.

    PubMed

    Langes, Christoph; Gelbrich, Thomas; Griesser, Ulrich J; Kahlenberg, Volker

    2009-08-01

    The cation of the title structure [systematic name: (5alpha,6alpha)-6-hydroxy-7,8-didehydro-4,5-epoxy-3-methoxy-17-methylmorphinanium dihydrogen phosphate hemihydrate], C18H22NO3+.H2PO4-.0.5H2O, has a T-shaped conformation. The dihydrogen phosphate anions are linked by O-H...O hydrogen bonds to give an extended ribbon chain. The codeine cations are linked together by O-H...O hydrogen bonds into a zigzag chain. There are also N-H...O bonds between the two types of hydrogen-bonded units. Additionally, they are connected to one another via O...H-O-H...O bridging water molecules. The asymmetric unit contains two codeine hydrogen cations, two dihydrogen phosphate anions and one water molecule. This study shows that the water molecules are firmly bound within a complex three-dimensional hydrogen-bonded framework.

  18. EPR and optical absorption study of Cr 3+-doped ammonium lithium sulphate single crystals

    NASA Astrophysics Data System (ADS)

    Kripal, Ram; Govind, Har

    2008-10-01

    EPR study of Cr 3+-doped ammonium lithium sulphate single crystals is carried out at room temperature. The crystal field and spin Hamiltonian parameters are evaluated from the resonance line positions of different lines observed in the EPR spectra. The spin Hamiltonian parameters are found to be g=2.0003±0.0002, D=(269±2)×10 -4 cm -1 and E=(82±2)×10 -4 cm -1 for site I and g=1.9904±0.0002, D=(251±2)×10 -4 cm -1 and E=(79±2)×10 -4 cm -1 for site II, respectively. EPR data indicate that the site symmetry of Cr 3+ ion in the crystal is distorted octahedron and it enters the lattice substitutionally replacing NH4+ sites and bind to the neighbouring extra Li + vacancies necessary for charge compensation. From optical study, the energy values of different orbital levels are estimated. Further, the bonding parameters are obtained by correlating optical and EPR data and the nature of bonding in the crystal is discussed. The values of Racah parameters ( B and C), crystal field parameter ( Dq) and nephelauxetic parameters ( h and k) are obtained to be B=908, C=3553, Dq=1974 cm -1, h=0.052 and k=0.21.

  19. EPR and optical study of Mn 2+ doped ammonium tartrate single crystals

    NASA Astrophysics Data System (ADS)

    Kripal, Ram; Govind, Har; Bajpai, Manisha; Maurya, Manju

    2008-12-01

    EPR study of Mn 2+ doped ammonium tartrate single crystals is carried out at room temperature. The spin Hamiltonian parameters are: gx = 1.9225 ± 0.0002, gy = 1.9554 ± 0.0002, gz = 2.1258 ± 0.0002, A=(78±2)×10-4 cm, B=(75±2)×10-4 cm, D = (191 ± 2) × 10 -4 cm -1, E = (61 ± 2) × 10 -4 cm -1 and a = (22 ± 1) × 10 -4 cm -1 for site I and gx = 1.9235 ± 0.0002, gy = 1.9574 ± 0.0002, gz = 2.0664 ± 0.0002, A=(78±2)×10-4 cm, B=(75±2)×10-4 cm, D = (180 ± 2) × 10 -4 cm -1, E = (57 ± 2) × 10 -4 cm -1 and a = (22 ± 1) × 10 -4 cm -1 for site II, respectively. The observed optical bands are fitted with inter-electronic repulsion parameters ( B and C), crystal field parameter (Dq) and Trees correction ( α) and the values found are B = 752, C = 2438, Dq = 765 and α = 76 cm -1. The data obtained are further used to discuss the surrounding crystal field and the nature of metal-ligand bonding in the crystal.

  20. Electron Paramagnetic Resonance Studies of Single Crystals of Manganese Ion-Doped Ammonium Sulfate, Gadolinium Ion-Doped Ammonium Praseodymium SULFATE.WATER, Vanadium Oxide Ion-Doped M Ammonium SULFATE.WATER

    NASA Astrophysics Data System (ADS)

    Sun, Jiansheng

    Detailed X-band electron paramagnetic resonance (EPR) measurements on single crystals of Mn^ {2+}-doped (NH_4)_2 SO_4, Gd^ {3+}-doped NH_4Pr(SO _4)_2cdot4H _2O, VO^{2+} -doped M(NH_4)_2(SO _4)_2cdot6H_2 O (M = Cd, Co, Mg, Fe, Zn) and Mg(ND_4) _2(SO_4)_2cdot 6D_2O, and Cu^ {2+}-doped MNa_2(SO _4)_2cdot4H _2O (M = Mg, Co) are made at variable temperatures. The spin-Hamiltonian parameters for Mn^{2+ }, Gd^{3+}, VO^{2+} and Cu ^{2+} ions are evaluated using a least-squares-fitting procedure. The positions and local symmetries of the impurity ions in these hosts have been well deduced. The ferroelectric transition in (NH_4) _2SO_4 has been extensively studied via the splittings of Mn^{2+ } EPR lines, leading to the determination of the critical exponent beta. The existence of two inequivalent sublattices in the (NH _4)_2SO_4 crystal is confirmed. Temperature variation of Gd^{3+ } EPR spectra reveal two first-order phase transitions in the NH_4Pr(SO _4)_2cdot4H_2 O crystal. The host-ion spin-lattice relaxation (SLR) times (tau) of Pr^ {3+} have been estimated via the EPR linewidths of Gd^{3+} impurity ions using an appropriate expression. The predominant processes of SLR of Pr^{3+} host -ions have been deduced. The superhyperfine structures of VO^ {2+} EPR spectra in the hydrated Tutton -salt hosts M(NH_4)_2(SO _4)_2cdot6H_2 O have been well explained by comparison with the VO^{2+} EPR spectra in the deuterated host crystal Mg(ND_4)_2 (SO_4)_2cdot6D _2O. Using the VO^ {2+} EPR and optical-absorption spectra, the bonding coefficients of the (VO(H_2 O)_5]^{2+ } complex have been estimated. The systematics of EPR of the VO^{2+} ion in this series of Tutton salts is analyzed. The impurity-host exchange-interaction constant of VO^{2+}-Fe ^{2+} pair is determined in the Fe(NH_4)_2(SO_4) _2cdot6H_2O host, using the g-shift due to the exchange interaction and the shape of the crystal at liquid-helium temperature. The tau values of Fe^ {2+} and Co^{2+} in the Fe(NH_4)_2(SO _4

  1. Structural and spectroscopic investigations on deuteron glasses belonging to the potassium dihydrogen phosphate family

    NASA Astrophysics Data System (ADS)

    Choudhury, Rajul Ranjan; Chitra, R.; Abraham, Geogy J.

    2015-06-01

    X-ray powder diffraction and Raman measurements were performed on the mixed crystals of deuterated potassium dihydrogen phosphate (DKDP) and deuterated ammonium dihydrogen phosphate (DADP) grown at our lab. These crystals are known to behave like deuteron glasses due to frustration between ferroelectric and antiferroelectric ordering. Both spectral as well as structural studies indicate that crystals belonging to the glassy regions of the crystal composition have stronger O-D-O hydrogen bonds as compared to those belong to the ferroelectric or antiferroelectric regions of the crystal composition.

  2. Structural and spectroscopic investigations on deuteron glasses belonging to the potassium dihydrogen phosphate family

    SciTech Connect

    Choudhury, Rajul Ranjan Chitra, R.; Abraham, Geogy J.

    2015-06-24

    X-ray powder diffraction and Raman measurements were performed on the mixed crystals of deuterated potassium dihydrogen phosphate (DKDP) and deuterated ammonium dihydrogen phosphate (DADP) grown at our lab. These crystals are known to behave like deuteron glasses due to frustration between ferroelectric and antiferroelectric ordering. Both spectral as well as structural studies indicate that crystals belonging to the glassy regions of the crystal composition have stronger O-D-O hydrogen bonds as compared to those belong to the ferroelectric or antiferroelectric regions of the crystal composition.

  3. Structural and Ionic Transport Properties of Protonic Conducting Solid Biopolymer Electrolytes Based on Carboxymethyl Cellulose Doped with Ammonium Fluoride.

    PubMed

    Ramlli, M A; Isa, M I N

    2016-11-10

    Fourier transform infrared (FT-IR), X-ray diffraction (XRD), and transference number measurement (TNM) techniques were applied to investigate the complexation, structural, and ionic transport properties of and the dominant charge-carrier species in a solid biopolymer electrolyte (SBE) system based on carboxymethyl cellulose (CMC) doped with ammonium fluoride (NH4F), which was prepared via a solution casting technique. The SBEs were partially opaque in appearance, with no phase separation. The presence of interactions between the host polymer (CMC) and the ionic dopant (NH4F) was proven by FT-IR analysis at the C-O band. XRD spectra analyzed using Origin 8 software disclose that the degree of crystallinity (χc%) of the SBEs decreased with the addition of NH4F, indicating an increase in the amorphous nature of the SBEs. Analysis of the ionic transport properties reveals that the ionic conductivity of the SBEs is dependent on the ionic mobility (μ) and diffusion of ions (D). TNM analysis confirms that the SBEs are proton conductors.

  4. Characterization of un-plasticized and propylene carbonate plasticized carboxymethyl cellulose doped ammonium chloride solid biopolymer electrolytes.

    PubMed

    Ahmad, N H; Isa, M I N

    2016-02-10

    Two solid biopolymer electrolytes (SBEs) systems of carboxymethyl cellulose doped ammonium chloride (CMC-AC) and propylene carbonate plasticized (CMC-AC-PC) were prepared via solution casting technique. The ionic conductivity of SBEs were analyzed using electrical impedance spectroscopy (EIS) in the frequency range of 50 Hz-1 MHz at ambient temperature (303K). The highest ionic conductivity of CMC-AC SBE is 1.43 × 10(-3)S/cm for 16 wt.% of AC while the highest conductivity of plasticized SBE system is 1.01 × 10(-2)S/cm when added with 8 wt.% of PC. TGA/DSC showed that the addition of PC had increased the decomposition temperature compared of CMC-AC SBE. Fourier transform infrared (FTIR) spectra showed the occurrence of complexation between the SBE components and it is proved successfully executed by Gaussian software. X-ray diffraction (XRD) indicated that amorphous nature of SBEs. It is believed that the PC is one of the most promising plasticizer to enhance the ionic conductivity and performance for SBE system. Copyright © 2015 Elsevier Ltd. All rights reserved.

  5. Single-crystal EPR investigation of Mn(II)-doped biomineral cobalt ammonium phosphate hexahydrate: a case of multiple substitutions

    NASA Astrophysics Data System (ADS)

    Deepa, S.; Natarajan, B.; Mithira, S.; Velavan, K.; Rao, P. S.

    2005-08-01

    Single-crystal electron paramagnetic resonance (EPR) study of Mn(II)-doped cobalt ammonium phosphate hexahydrate has been carried out at room temperature. The impurity shows more than 30 line pattern EPR spectra along the three crystallographic axes, suggesting the existence of more than one type of impurity ion in the host lattice. The spin Hamiltonian parameters, estimated from the three mutually orthogonal crystal rotations, are: site 1: g(xx) =1.989, g(yy) =1.994, g(zz) =1.999, A(xx) =-8.97, A(yy) =-9.52, A(zz) =-9.71 mT, D-xx =-8.09 mT, D-yy =-6.05 mT, D-zz =14.14 mT, site 2: g(xx) =1.988, g(yy) =2.009, g(zz) =2.019, A(xx) =-9.11 mT, A(yy) =-9.58 mT, A(zz) =-9.93 mT, D-xx =-6.61 mT, D-yy =-6.11 mT, D-zz =12.72 mT. The angular variation studies further reveal that the Mn(II) impurities enter the lattice substitutionally. The other Mn(II) sites which are at interstitial locations are difficult to follow due to their low intensity. The variation of zero-field splitting parameter with temperature indicates no phase transition. The observation of well-resolved Mn(II) spectrum at room temperature has been interpreted in terms of 'host spin-lattice relaxation narrowing mechanism.

  6. Growth of cerium(III)-doped ADP crystals and characterization studies

    NASA Astrophysics Data System (ADS)

    Vanchinathan, K.; Muthu, K.; Bhagavannarayana, G.; Meenakshisundaram, SP.

    2012-09-01

    Single crystals of Ce(III)-doped ammonium dihydrogen phosphate (ADP) are grown by conventional slow evaporation of aqueous solution and Sankaranarayanan-Ramasamy (SR) technique. High-resolution X-ray diffraction (HRXRD) studies reveal that the crystalline perfection is substantially better in the case of SR-grown crystal. Morphological changes are observed in the doped specimen. Doping has some influence on the DRS spectra and the band gap energy is estimated by Kubelka-Munk algorithm. Lattice parameters are determined by single crystal XRD analysis. The powder X-ray diffraction and FT-IR analyses indicate that the crystal undergoes considerable stress as a result of doping. The incorporation of Ce(III) into the crystalline matrix of ADP is confirmed by energy dispersive X-ray spectroscopy (EDS). Thermal studies reveal no decomposition up to the melting point and no significant changes are observed as a result of foreign ion incorporation in ADP crystalline matrix.

  7. Fermi level pinning characterisation on ammonium fluoride-treated surfaces of silicon by energy-filtered doping contrast in the scanning electron microscope

    PubMed Central

    Chee, Augustus K. W.

    2016-01-01

    Two-dimensional dopant profiling using the secondary electron (SE) signal in the scanning electron microscope (SEM) is a technique gaining impulse for its ability to enable rapid and contactless low-cost diagnostics for integrated device manufacturing. The basis is doping contrast from electrical p-n junctions, which can be influenced by wet-chemical processing methods typically adopted in ULSI technology. This paper describes the results of doping contrast studies by energy-filtering in the SEM from silicon p-n junction specimens that were etched in ammonium fluoride solution. Experimental SE micro-spectroscopy and numerical simulations indicate that Fermi level pinning occurred on the surface of the treated-specimen, and that the doping contrast can be explained in terms of the ionisation energy integral for SEs, which is a function of the dopant concentration, and surface band-bending effects that prevail in the mechanism for doping contrast as patch fields from the specimen are suppressed. PMID:27576347

  8. Characterization of PVA doped with different metallic salts as conductor polymer and as holographic film sensitized with ammonium dichromate

    NASA Astrophysics Data System (ADS)

    Hernández-Garay, M. P.; Olivares-Pérez, A.; Fuentes-Tapia, I.; Baltasar-Arroyo, R.; Ruiz-Limón, B.; Ponce-Lee, L.

    2007-02-01

    Multitudes of materials were and are investigated for holographic recording. materials and processes are advantageous because its has high exposure sensitivity, high diffraction efficiency, stability, etc. We report a photosensitive emulsion its electro-optical and chemical properties by mixing PVA with metallic salts and ammonium dichromate. We describe a hypothesis with respect to some mechanisms of photo and thermo sensitivity to different characteristics in emulsions.

  9. Preparation of Enteromorpha prolifera-based cetyl trimethyl ammonium bromide-doped activated carbon and its application for nickel(II) removal.

    PubMed

    Wang, Man; Hao, Fang; Li, Gang; Huang, Ji; Bao, Nan; Huang, Lihui

    2014-06-01

    Activated carbon was prepared from Enteromorpha prolifera (EP) by H3PO4 activation in the presence of doped cetyl trimethyl ammonium bromide (CTAB), producing EPAC-CTAB. The thermal decomposition process of the activated carbon substrate was identified by thermo-gravimetric analysis. Scanning electron microscope (SEM), N2 adsorption/desorption, Fourier transform infrared spectroscopy (FTIR), Boehm titration, and X-ray Photoelectron Spectroscopy (XPS) were employed to characterize the physicochemical properties of native EPAC and EPAC-CTAB. EPAC-CTAB exhibited smaller surface area (689.0m(2)/g) and lower total pore volume (0.361cm(3)/g) than those of EPAC (1045.8m(2)/g and 1.048cm(3)/g), while the number of acidic groups, oxygen and nitrogen groups on the surface of EPAC-CTAB increased through CTAB doping. The batch kinetics and isotherm adsorption studies of nickel(II) onto the adsorbents were examined and agreed well with the pseudo-second-order model and the Langmuir model. The maximum adsorption capacity determined from the Langmuir model was 16.9mg/g for EPAC and 49.8mg/g for EPAC-CTAB. Under acidic condition, the adsorption of nickel(II) onto EPAC and EPAC-CTAB was hindered due to ion competition and electrostatic repulsion. The results indicated that using CTAB as a dopant for EPAC modification could markedly enhance the nickel(II) removal. Copyright © 2014. Published by Elsevier Inc.

  10. Safety assessment of ammonium hectorites as used in cosmetics.

    PubMed

    Becker, Lillian C; Bergfeld, Wilma F; Belsito, Donald V; Hill, Ronald A; Klaassen, Curtis D; Liebler, Daniel C; Marks, James G; Shank, Ronald C; Slaga, Thomas J; Snyder, Paul W; Andersen, F Alan

    2013-01-01

    The Cosmetic Ingredient Review Expert Panel (Panel) reviewed the safety of 4 ammonium hectorite compounds used in cosmetics: disteardimonium hectorite, dihydrogenated tallow benzylmonium hectorite, stearalkonium hectorite, and quaternium-18 hectorite. These ingredients function in cosmetics mainly as nonsurfactant suspending agents. The Panel reviewed available animal and human data and concluded that these ammonium hectorite compounds were safe as cosmetic ingredients in the practices of use and concentration as given in this safety assessment.

  11. Single Crystal EPR and Optical Studies of Cu(II) Doped Zinc Ammonium Phosphate Hexahydrate: A Case of Rhombic Distortion

    NASA Astrophysics Data System (ADS)

    Poonguzhali, E.; Srinivasan, R.; Ravikumar, R. V. S. S. N.; Ravikumar, R. V. S. S. N.; Chandrasekhar, A. V.; Reddy, B. J.; Reddy, Y. P.; Sambasiva Rao, P.

    Single crystal EPR and optical studies of Cu(II) doped ZnNH4PO4·6H2O (Zinc struvite) have been carried out at room and liquid nitrogen temperatures. The g and A tensors indicate that the impurity has entered the lattice substitutionally. Even though the coordination polyhedron around the host Zn(II) is a compressed octahedron of oxygen atoms of water, the Cu(II) ion has an elongated octahedron corresponding to dx2-y2 ground state. The optical spectrum shows four bands at 1205, 1095, 833 and 805nm, which confirms the octahedral coordination of Cu(II) with rhombic (C2V) distortion.

  12. Sulfur and nitrogen binary doped carbon dots derived from ammonium thiocyanate for selective probing doxycycline in living cells and multicolor cell imaging.

    PubMed

    Xue, Mingyue; Zhang, Liangliang; Zhan, Zhihua; Zou, Mengbing; Huang, Yong; Zhao, Shulin

    2016-04-01

    A novel sulfur and nitrogen binary doped carbon dots (S,N-CDs) was synthesized by one-step manner through the hydrothermal treatment of citric acid (CA) and ammonium thiocyanate, and the procedures for biomedical applications, including probing doxycycline in living cells and multicolor cell imaging were developed. The obtained S,N-CDs are stable in aqueous solution, possess a very high quantum yield (QY, 74.15%) and good photostability. The fluorescence of S,N-CDs can be specifically quenched by doxycycline, providing a convenient turn-off assay of doxycycline. This assay shows a wide linear detection range from 0.08 to 60 μM with a low detection limit of 20 nM. The present method also displays a good selectivity. More importantly, the S,N-CDs have an excellent biocompatibility and low cytotoxicity, allowing the multicolor cell imaging and doxycycline detection in living cells. Consequently, the developed doxycycline methods is facile, low-cost, biocompatible, sensitive and selective, which may hold the potential applications in the fields of food safety and environmental monitoring, as well as cancer therapy and related mechanism research.

  13. Synthesis of Dinitrogen and Dihydrogen Complexes of Molybdenum.

    ERIC Educational Resources Information Center

    Archer, Leonard J.; And Others

    1981-01-01

    Presents background information, safety notes, and laboratory procedures for synthesizing dinitrogen and dihydrogen complexes of molybdenum. The one-step method described is suitable for advanced inorganic chemistry classes. (SK)

  14. Synthesis of Dinitrogen and Dihydrogen Complexes of Molybdenum.

    ERIC Educational Resources Information Center

    Archer, Leonard J.; And Others

    1981-01-01

    Presents background information, safety notes, and laboratory procedures for synthesizing dinitrogen and dihydrogen complexes of molybdenum. The one-step method described is suitable for advanced inorganic chemistry classes. (SK)

  15. High Resolution NMR ^15N and ^31P NMR Of Antiferroelectric Phase Transition in Ammonium Dihydrogen Arsenate and Ammonium Dihydrogen Phosphate

    NASA Astrophysics Data System (ADS)

    Gunaydin-Sen, Ozge

    2005-03-01

    Natural abundance ^15N CPMAS NMR has been used to investigate the paraelectric-antiferroelectric phase transition of NH4H2AsO4 (ADA) (TN˜216K) and of NH4H2PO4 (ADP) (148K), with a focus on the role of the NH4^+ ion. Isotropic chemical shift of ^15N for ADA exhibits an almost linear temperature dependence to within TN±1K, and then changes discontinuously, followed by another almost linear dependence. The spectra of the paraelectric and antiferroelectric phases coexist around the TN. The sharp anomaly around TN implies that the NH4^+ ions undergo a displacive transition, whereas the protons in the O-HO bonds undergo an order-disorder transition. The ^15N data thus support a mixed order-disorder-displacive mechanism for this transition. The ^15N data on ADP exhibit somewhat different behavior. ^31P CPMAS measurements will also be presented and discussed in terms of the above model.

  16. Hydrogen and Dihydrogen Bonds in the Reactions of Metal Hydrides.

    PubMed

    Belkova, Natalia V; Epstein, Lina M; Filippov, Oleg A; Shubina, Elena S

    2016-08-10

    The dihydrogen bond-an interaction between a transition-metal or main-group hydride (M-H) and a protic hydrogen moiety (H-X)-is arguably the most intriguing type of hydrogen bond. It was discovered in the mid-1990s and has been intensively explored since then. Herein, we collate up-to-date experimental and computational studies of the structural, energetic, and spectroscopic parameters and natures of dihydrogen-bonded complexes of the form M-H···H-X, as such species are now known for a wide variety of hydrido compounds. Being a weak interaction, dihydrogen bonding entails the lengthening of the participating bonds as well as their polarization (repolarization) as a result of electron density redistribution. Thus, the formation of a dihydrogen bond allows for the activation of both the MH and XH bonds in one step, facilitating proton transfer and preparing these bonds for further transformations. The implications of dihydrogen bonding in different stoichiometric and catalytic reactions, such as hydrogen exchange, alcoholysis and aminolysis, hydrogen evolution, hydrogenation, and dehydrogenation, are discussed.

  17. Ultrastable nitrogen-doped carbon encapsulating molybdenum phosphide nanoparticles as highly efficient electrocatalyst for hydrogen generation.

    PubMed

    Pu, Zonghua; Amiinu, Ibrahim Saana; Liu, Xiaobo; Wang, Min; Mu, Shichun

    2016-10-06

    There is a crucial demand for cost-effective hydrogen evolution reaction (HER) catalysts towards future renewable energy systems, and the development of such catalysts operating under all pH conditions still remains a challenging task. In this work, a one-step facile approach to synthesizing nitrogen-doped carbon encapsulating molybdenum phosphide nanoparticles (MoP NPs@NC) is introduced by using ammonium molybdate, ammonium dihydrogen phosphate and melamine as precursor. Benefitting from structural advantages, including ultrasmall nanoparticles, large exposed surface area and fast charge transfer, MoP NPs@NC exhibits excellent HER catalytic activities with small overpotentials at all pH values (j = 10 mA cm(-2) at η = 115, 136 and 80 mV in 0.5 M H2SO4, 1.0 M phosphate buffer solution and 1.0 M KOH, respectively.). Meanwhile, the high catalytic activities of MoP NPs@NC under both neutral and basic conditions have never been achieved before for molybdenum phosphide-based catalysts. Additionally, the encapsulation by N-doped carbon effectively prevents the MoP NPs from corrosion, exhibiting nearly unfading stability after 100 h testing in 0.5 M H2SO4. Thus, our work could pave a new avenue for unprecedented design and fabrication of novel low-cost metal phosphide electrocatalysts encapsulated by N-doped carbon.

  18. Ammonium sulfamate

    Integrated Risk Information System (IRIS)

    Ammonium sulfamate ; CASRN 7773 - 06 - 0 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 Noncarcinogen

  19. Ammonium methacrylate

    Integrated Risk Information System (IRIS)

    Ammonium methacrylate ; CASRN 16325 - 47 - 6 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 Noncarcin

  20. Ammonium acetate

    Integrated Risk Information System (IRIS)

    Ammonium acetate ; CASRN 631 - 61 - 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 Assessments for Noncarcinogenic

  1. Study on A.C. electrical properties of pure and L-serine doped ADP crystals

    NASA Astrophysics Data System (ADS)

    Joshi, J. H.; Dixit, K. P.; Joshi, M. J.; Parikh, K. D.

    2016-05-01

    Ammonium Dihydrogen Phosphate (ADP) crystals have a wide range of applications in integrated and nonlinear optics. Amino acids having significant properties like molecular chirality, zwitter ionic nature, etc. attracted many researchers to dope them in various NLO crystals. In the present study, pure and different weight percentage L-serine doped ADP crystals were grown by slow solvent evaporation technique at room temperature. The A.C. electrical study was carried out for palletized samples at room temperature. The Nyquist plot showed two semi circles for pure ADP indicated the effect of grain and grain boundary, whereas the doped ADP samples exhibited the single semi circle suggesting the effect of grain. The values resistance and capacitance for grain and grain boundary were calculated. The effect of doping was clearly seen in the grain capacitance and resistance values. The dielectric constant and dielectric loss decreased with increase in frequency for all samples. The Jonscher power law was applied for A.C. conductivity for pure and doped ADP samples. The imaginary part of modulus and impedance versus frequency were drawn and the value of stretch exponent (β) was calculated for all the samples.

  2. Dihydrogen Splitting Using Dialkylsilylene-Based Frustrated Lewis Pairs.

    PubMed

    Dong, Zhaowen; Li, Zhifang; Liu, Xupeng; Yan, Chenting; Wei, Ningka; Kira, Mitsuo; Müller, Thomas

    2017-06-01

    Isolable dialkylsilylene 5 reacts with dihydrogen in the presence of a small amount of a conventional Lewis acid (BPh3 , BEt3 ) or a base (PPh3 , PEt3 , NPh3 , NEt3 ) at low temperatures in a hydrocarbon solvent, giving the corresponding dihydrosilane 10 in high yields. Both 5/Lewis acid and Lewis base/5 pairs work as a frustrated Lewis pair (FLP) to split dihydrogen, being in accord with the amphoteric nature of silylene 5. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

  3. 40 CFR 180.1193 - Potassium dihydrogen phosphate; exemption from the requirement of a tolerance.

    Code of Federal Regulations, 2010 CFR

    2010-07-01

    ... 40 Protection of Environment 23 2010-07-01 2010-07-01 false Potassium dihydrogen phosphate... RESIDUES IN FOOD Exemptions From Tolerances § 180.1193 Potassium dihydrogen phosphate; exemption from the requirement of a tolerance. Potassium dihydrogen phosphate is exempted from the requirement of a tolerance in...

  4. 40 CFR 721.10289 - Hexanedioic acid polymer with aliphatic polyol dihydrogen phosphate aromatic ester (generic).

    Code of Federal Regulations, 2014 CFR

    2014-07-01

    ... aliphatic polyol dihydrogen phosphate aromatic ester (generic). 721.10289 Section 721.10289 Protection of... polymer with aliphatic polyol dihydrogen phosphate aromatic ester (generic). (a) Chemical substance and... acid polymer with aliphatic polyol dihydrogen phosphate aromatic ester (PMN P-11-333) is subject to...

  5. 40 CFR 180.1193 - Potassium dihydrogen phosphate; exemption from the requirement of a tolerance.

    Code of Federal Regulations, 2013 CFR

    2013-07-01

    ... 40 Protection of Environment 25 2013-07-01 2013-07-01 false Potassium dihydrogen phosphate... RESIDUES IN FOOD Exemptions From Tolerances § 180.1193 Potassium dihydrogen phosphate; exemption from the requirement of a tolerance. Potassium dihydrogen phosphate is exempted from the requirement of a tolerance in...

  6. 40 CFR 180.1193 - Potassium dihydrogen phosphate; exemption from the requirement of a tolerance.

    Code of Federal Regulations, 2014 CFR

    2014-07-01

    ... 40 Protection of Environment 24 2014-07-01 2014-07-01 false Potassium dihydrogen phosphate... RESIDUES IN FOOD Exemptions From Tolerances § 180.1193 Potassium dihydrogen phosphate; exemption from the requirement of a tolerance. Potassium dihydrogen phosphate is exempted from the requirement of a tolerance in...

  7. 40 CFR 180.1193 - Potassium dihydrogen phosphate; exemption from the requirement of a tolerance.

    Code of Federal Regulations, 2012 CFR

    2012-07-01

    ... 40 Protection of Environment 25 2012-07-01 2012-07-01 false Potassium dihydrogen phosphate... RESIDUES IN FOOD Exemptions From Tolerances § 180.1193 Potassium dihydrogen phosphate; exemption from the requirement of a tolerance. Potassium dihydrogen phosphate is exempted from the requirement of a tolerance in...

  8. 40 CFR 721.10289 - Hexanedioic acid polymer with aliphatic polyol dihydrogen phosphate aromatic ester (generic).

    Code of Federal Regulations, 2012 CFR

    2012-07-01

    ... aliphatic polyol dihydrogen phosphate aromatic ester (generic). 721.10289 Section 721.10289 Protection of... polymer with aliphatic polyol dihydrogen phosphate aromatic ester (generic). (a) Chemical substance and... acid polymer with aliphatic polyol dihydrogen phosphate aromatic ester (PMN P-11-333) is subject to...

  9. 40 CFR 721.10289 - Hexanedioic acid polymer with aliphatic polyol dihydrogen phosphate aromatic ester (generic).

    Code of Federal Regulations, 2013 CFR

    2013-07-01

    ... aliphatic polyol dihydrogen phosphate aromatic ester (generic). 721.10289 Section 721.10289 Protection of... polymer with aliphatic polyol dihydrogen phosphate aromatic ester (generic). (a) Chemical substance and... acid polymer with aliphatic polyol dihydrogen phosphate aromatic ester (PMN P-11-333) is subject to...

  10. 40 CFR 180.1193 - Potassium dihydrogen phosphate; exemption from the requirement of a tolerance.

    Code of Federal Regulations, 2011 CFR

    2011-07-01

    ... 40 Protection of Environment 24 2011-07-01 2011-07-01 false Potassium dihydrogen phosphate... RESIDUES IN FOOD Exemptions From Tolerances § 180.1193 Potassium dihydrogen phosphate; exemption from the requirement of a tolerance. Potassium dihydrogen phosphate is exempted from the requirement of a tolerance in...

  11. Fluorine substituent effects on dihydrogen bonding of transition metal hydrides.

    PubMed

    Jacobsen, Heiko

    2009-09-07

    Hydrogen and dihydrogen bonding of the fluorinated alcohol (CF(3))(2)CHOH with the transition metal complex WH(CO)(2)(NO)(PMe(3))(2) has been explored by a set of four exemplary density functional theory methods that comprises the BP86, PBE, B3LYP and TPSS functionals. The hydride, nitrosyl and carbonyl ligands of the tungsten complex have been considered as sites of protonation. The main effect of fluorination is an increased dihydrogen bond strength by about 15 kJ mol(-1). The [see equation in text] dihydrogen bond is about 10 kJ mol(-1) stronger than the [W]-NOH-OR hydrogen bond. Of the four DFT methods investigated, the BP86 functional provides the most satisfying quantitative as well as qualitative agreement with experiment. The geometry of the [see equation in text] linkage is significantly influenced by secondary dispersive intermolecular bonding. Linear and bent dihydrogen bonds are separated in energy only by about 1 kJ mol(-1), and represent local minima on the corresponding energy hypersurface.

  12. A Mercurial Route to a Cobalt Dihydrogen Complex

    SciTech Connect

    Bullock, R. Morris

    2011-03-30

    Recent results by Heinekey and co-workers provide evidence for an unusual route to a cobalt dihydrogen complex. This work was supported by the US Department of Energy Basic Energy Sciences' Chemical Sciences, Geosciences & Biosciences Division. Pacific Northwest National Laboratory is operated by Battelle for the US Department of Energy.

  13. Study on optical properties of l-valine doped ADP crystal.

    PubMed

    Shaikh, R N; Anis, Mohd; Shirsat, M D; Hussaini, S S

    2015-02-05

    Single crystal of l-valine doped ammonium dihydrogen phosphate has been grown by slow evaporation method at room temperature. The crystalline nature of the grown crystal was confirmed using powder X-ray diffraction technique. The different functional groups of the grown crystal were identified using Fourier transform infrared analysis. The UV-visible studies were employed to examine the high optical transparency and influential optical constants for tailoring materials suitability for optoelectronics applications. The cutoff wavelength of the title crystal was found to be 280nm with wide optical band gap of 4.7eV. The dielectric measurements were carried to determine the dielectric constant and dielectric loss at room temperature. The grown crystal has been characterized by thermogravimetric analysis. The second harmonic generation efficiency of the grown crystal was determined by the classical Kurtz powder technique and it is found to be 1.92 times that of potassium dihydrogen phosphate. The grown crystal was identified as third order nonlinear optical material employing Z-scan technique using He-Ne laser operating at 632.8nm. Copyright © 2014 Elsevier B.V. All rights reserved.

  14. Infrared Spectroscopy of Phenol-Triethylsilane Dihydrogen-Bonded Cluster

    NASA Astrophysics Data System (ADS)

    Ishikawa, Haruki; Kawasaki, Takayuki

    2013-06-01

    Dihydrogen bond is a hydrogen bond between oppositely charged two hydrogen atoms, X-H\\cdotsH-Y, where X = O, N and Y = B, metal atoms, for example. In 2005, Ishikawa and coworkers reported the observation of the dihydrogen-bond system involving Si-H group as the proton acceptor. They carried out infrared (IR) spectroscopy of phenol(PhOH)-Diethylmethylsilane(DEMS) clusters. All of the three isomers of PhOH-DEMS 1:1 clusters observed exhibit a small red-shift of ˜{ν}_{ OH} of the PhOH moiety in the cluster compared with that of bare PhOH. The largest shift is -29 cm^{-1}. The small red-shift is considered to be the result of the competition between the O-H\\cdotsH-Si dihydrogen-bond and the dispersion interaction of alkyl group of DEMS with phenyl ring. It means that the strength of the O-H\\cdotsH-Si dihydrogen-bond is comparable to the dispersion force. In the present study, we have performed fluorescence excitation (FE) and IR spectroscopies of phenol-triethylsilane(TES) to widen the knowledge of the dihydrogen bond. Similar to the case of PhOH-DEMS system, the electronic origin bands of three PhOH-TES isomers appear in the vicinity of that of PhOH monomer in the FE spectrum. In the present study, we have found an origin band of another PhOH-TES isomer showing a red-shift of -120 cm^{-1}. The shift of ˜{ν}_{ OH} of this cluster is found to be -78 cm^{-1}. This value is much larger than those of the other PhOH-TES 1:1 clusters. It is expected that the spatial overlap of between the TES and the phenyl ring in this cluster is small so that the contribution of the O-H\\cdotsH-Si dihydrogen-bond becomes larger than the other isomers. We have performed density-functional-theory (DFT) calculation of the PhOH-TES clusters using M05-2X functional. The result of the DFT calculation supported the cluster structure and the large red-shift of ˜{ν}_{ OH} of the newly found isomer of PhOH-TES. H. Ishikawa, A. Saito, M. Sugiyama, N. Mikami, J. Chem. Phys. 123, 224309 (2005).

  15. Formation of chemically bonded ceramics with magnesium dihydrogen phosphate binder

    DOEpatents

    Wagh, Arun S.; Jeong, Seung-Young

    2004-08-17

    A new method for combining magnesium oxide, MgO, and magnesium dihydrogen phosphate to form an inexpensive compactible ceramic to stabilize very low solubility metal oxides, ashes, swarfs, and other iron or metal-based additives, to create products and waste forms which can be poured or dye cast, and to reinforce and strengthen the ceramics formed by the addition of fibers to the initial ceramic mixture.

  16. Reinvestigation of 4-methyl­anilinium dihydrogen phosphite

    PubMed Central

    Fejfarová, Karla; Jarošová, Markéta; Halime, Ilhame; Lachkar, Mohammed; El Bali, Brahim

    2010-01-01

    The crystal structure of the title compound, C7H10N+·H2PO3 −, has been reported previously by Sabounchei & Naghipour [Asian J. Chem. (2003) ▶, 15, 1677–1686]. A new look at this compound has revealed doubling of the unit cell. The asymmetric unit consists of two 4-methyl­anilinium cations and two dihydrogen phosphite anions. The crystal structure is built upon alternating layers of organic cations and dihydrogen phosphite anions stacked along c. The organic layer is stabilized by C—H⋯π interactions. Weak aromatic π–π stacking interactions with centroid–centroid distances of 4.6147 (12), 4.6917 (12), 4.6932 (13) and 4.8366 (13) Å are also observed in the structure. The dihydrogen phosphite anions are linked by O—H⋯O hydrogen bonds into chains running parallel to the a-axis direction. These chains are connected to the cation layer by N—H⋯O hydrogen bonds. PMID:21579471

  17. Evidence of dihydrogen bonding of a chiral amine-borane complex in solution by VCD spectroscopy.

    PubMed

    Merten, Christian; Berger, Christopher J; McDonald, Robert; Xu, Yunjie

    2014-09-08

    IR and vibrational circular dichroism (VCD) spectra of a chiral amine-borane in solution are investigated. By comparison of experimental and calculated spectra, unique VCD spectral signatures, which can be attributed to the formation of dihydrogen-bonded dimers in solution, are identified for the first time. These VCD features are highly sensitive to the specific dihydrogen-bonding topologies utilized by the chiral amine-borane subunits and thus provide direct structural information of these dihydrogen-bonded species in solution. Differences in the dihydrogen binding arrangements in solution and in solid state are also revealed.

  18. A new modification method of a Cetyl Trimethyl Ammonium Bromide/Nano-ZnO and Multi-walled Carbon Nanotubes Electrode for Determination of Anti Doping in Urine

    NASA Astrophysics Data System (ADS)

    Zhao, Zhiwei; Mu, Shuai; Zheng, Jie; Gu, Lingyan; Shen, Guijun; Shen, Yuan

    2017-07-01

    The preparation and application of Cetyl Trimethyl Ammonium Bromide/Nano-ZnO and Multi-walled Carbon Nanotubes (CTAB/ZnO-MWNTs) Modified Electrodes was studied, establishing a new electrochemical method for determination of carteolol hydrochloride in urine. After its pre-enrichment by adsorption and extraction on modified electrodes, electrochemical behaviors of carteolol hydrochloride on the modified electrodes were studied by CV and DPV. The response is linear at the range of 1×10-3 ∼ 2×10-1 g/L, with a detection limit of 2×10-4 g/L. Under appropriate conditions, the content of carteolol hydrochloride in urine can be determined directly by the method, which had strong anti-interference ability and the recovery is 96.5% - 110.5%. In addition, extraction and adsorption behaviors of the modified electrodes for carteolol hydrochloride were studied by chronocoulumetry, and the results showed that extraction during the enrichment process played a major role at low concentrations, and contribution of surface adsorption became greater with the increase of concentrations.

  19. Dihydrogen contacts in alkanes are subtle but not faint.

    PubMed

    Echeverría, Jorge; Aullón, Gabriel; Danovich, David; Shaik, Sason; Alvarez, Santiago

    2011-04-01

    Alkane molecules are held together in the crystal state by purportedly weak homonuclear R-H···H-R dihydrogen interactions. In an apparent contradiction, the high melting points and vaporization enthalpies of polyhedranes in condensed phases require quite strong intermolecular interactions. Two questions arise: 'How strong can a weak C-H···H-C bond be?' and 'How do the size and topology of the carbon skeleton affect these bonding interactions?' A systematic computational study of intermolecular interactions in dimers of n-alkanes and polyhedranes, such as tetrahedrane, cubane, octahedrane or dodecahedrane, showed that attractive C-H···H-C interactions are stronger than usually thought. We identified factors that account for the strength of these interactions, including the tertiary nature of the carbon atoms and their low pyramidality. An alkane with a bowl shape was designed in the search for stronger dihydrogen intermolecular bonding, and a dissociation energy as high as 12 kJ mol⁻¹ is predicted by our calculations.

  20. Incorporation of Cr-containing anionic species into potassium dihydrogen phosphate crystal

    NASA Astrophysics Data System (ADS)

    Ding, Jianxu; Wang, Shenglai; Xu, Xinguang; Gu, Qingtian; Liu, Wenjie; Sun, Yun; Liu, Guangxia; Zhu, Shengjun

    2011-11-01

    By altering the concentration of chromate (CrO42-) additive in the growth solution, a series of potassium dihydrogen phosphate (KDP) crystals was obtained by the conventional temperature cooling method. The addition of CrO42- resulted in yellow-green colored KDP crystals. The measurement of the growth rate revealed that CrO42- made a small contribution to the growth rate of (100) face. The configurations of CrO42- in a saturated KDP solution were confirmed to be Cr2O72- and HCrO4-. Through electrostatic attractive force and charge-assisted hydrogen bonds, Cr2O72- and HCrO4- were selectively adsorbed onto (101) and (100) faces, respectively. The adsorbed Cr2O72- on the (101) face could be decomposed to CrO42- or HCrO4- because of the lower pH value in the growth boundary. CrO42- and HCrO4- could enter into crystal lattice because of the structural similarities of CrO42--PO43-, and consequently made KDP crystals colored and resulted in transmittance adsorptions at 280 and 370 nm in doped KDP crystals. Elemental analysis indicated that the concentration of Cr in KDP crystals increased with increasing CrO42- in the growth solution. Additionally, the influence of CrO42- on the growth of KDP crystals was similar to that of Cr2O72-.

  1. Insensitive Ammonium Nitrate.

    DTIC Science & Technology

    is reduced by replacing the ammonium nitrate with a solid solution of potassium nitrate in form III ammonium nitrate wherein the potassium nitrate...constitutes from more than zero to less than 50 weight percent of the solid solution . (Author)

  2. Use of potassium dihydrogen phosphate and sawdust as adsorbents of ammoniacal nitrogen in aerobic composting process.

    PubMed

    Hu, Tian-Jue; Zeng, Guang-Ming; Huang, Dan-Lian; Yu, Hong-Yan; Jiang, Xiao-Yun; Dai, Fang; Huang, Guo-He

    2007-03-22

    Three kinds of adsorbents-potassium dihydrogen phosphate, sawdust and mixture of potassium dihydrogen phosphate and sawdust were added respectively into composting to investigate their adsorption effect on ammonia. The experimental results showed that all the adsorbents could restrain ammonia volatilizing, with the sorption of potassium dihydrogen phosphate adsorbents being the best of all, the sorption of mixture adsorbent with potassium dihydrogen phosphate and sawdust being the second and the sorption of sawdust adsorbent being the last. Therefore, the total nitrogen loss ratios respectively reduced from 38% to 13%, 15% and 21% after adding these three kinds of adsorbents into composting. However, potassium dihydrogen phosphate produced negative influence on composting properties as its supplemented amount exceeded a quantity basis equivalent to 18% of total nitrogen in the composting, for example: pH value had been lessened, microorganism activity reduced, which finally resulted in the reduction of biodegradation ratio of organic matter. But it did not result in these problems when using the mixture of potassium dihydrogen phosphate and sawdust as adsorbent, in which the amount of potassium dihydrogen phosphate was under a quantity basis equivalent to 6% of total nitrogen in the composting. Moreover, the mixture adsorbent produced better adsorption effect on ammonia, and raised biodegradation ratio of organic matter from 26% to 33%.

  3. Hydrogen storage using polymer-supported organometallic dihydrogen complexes: a mechanistic study.

    PubMed

    Cooper, Andrew I; Poliakoff, Martyn

    2007-07-28

    The dihydrogen complex W(CO)(5)(H(2)) can be both generated and dissociated in polymer matrices by UV photolysis at 220 K and 90 K, respectively, suggesting a potential "UV-activated" mechanism for hydrogen storage and release.

  4. Hydrogen and dihydrogen bonding of transition metal hydrides

    NASA Astrophysics Data System (ADS)

    Jacobsen, Heiko

    2008-04-01

    Intermolecular interactions between a prototypical transition metal hydride WH(CO) 2NO(PH 3) 2 and a small proton donor H 2O have been studied using DFT methodology. The hydride, nitrosyl and carbonyl ligand have been considered as site of protonation. Further, DFT-D calculations in which empirical corrections for the dispersion energy are included, have been carried out. A variety of pure and hybrid density functionals (BP86, PW91, PBE, BLYP, OLYP, B3LYP, B1PW91, PBE0, X3LYP) have been considered, and our calculations indicate the PBE functional and its hybrid variation are well suited for the calculation of transition metal hydride hydrogen and dihydrogen bonding. Dispersive interactions make up for a sizeable portion of the intermolecular interaction, and amount to 20-30% of the bond energy and to 30-40% of the bond enthalpy. An energy decomposition analysis reveals that the H⋯H bond of transition metal hydrides contains both covalent and electrostatic contributions.

  5. Aging dynamics in ferroelectric deuterated potassium dihydrogen phosphate

    NASA Astrophysics Data System (ADS)

    Hecht, Rachel; Cieszymski, Samuel F.; Colla, Eugene V.; Weissman, M. B.

    2017-09-01

    Anomalously large dielectric aging is found in the high-susceptibility plateau ferroelectric regime of nominally ˜95 % deuterated potassium dihydrogen phosphate (DKDP). Much less aging is found in nondeuterated KDP throughout most of its plateau region. Optical images of the DKDP domain structure show no dramatic change during aging. Small changes in electric field restore the preaged susceptibility, but the previous aging almost recovers after returning to a respective aging field. Susceptibility vs field can show memory of at least two prior aging fields. Aging effects are not fully erased even by brief heating above the Curie point, indicating a role for diffusion of hydrogen to the domain walls, leaving changes in disorder that can survive temporary absence of domain walls. Asymmetrical nonlinear susceptibility develops for fields slightly above or below a prior aging field and during field sweeps, with the dependence of the second-harmonic magnitude on sweep rate giving a characteristic time comparable to the time for hydrogen to diffuse a domain-wall width.

  6. Dihydrogen catalysis: a degradation mechanism for N2-fixation intermediates.

    PubMed

    Asatryan, Rubik; Bozzelli, Joseph W; Ruckenstein, Eli

    2012-11-29

    Molecular hydrogen plays multiple roles in activation of nitrogen. Among others, it inhibits the overall process of N(2)-reduction catalyzed by nitrogenase enzyme. The H(2)-assisted dehydrogenation and the H-atom transfer reactions (called dihydrogen catalysis, DHC) are suggested as possible mechanisms for the degradation and removal of potential intermediates formed during the reduction of nitrogen. Several iron-organic model reactions associated with the core stereospecific reaction (cis-N(2)H(2) + H(2) → N(2) + H(2) + H(2)) are examined using a comprehensive density functional theory and ab initio analysis of the corresponding potential energy surfaces. A variety of energetically feasible decomposition pathways are identified for the DHC-oxidation of iron-bound [N(x)H(y)]-species. A liberated diazene intermediate (HN═NH) is suggested to interact in situ with two proximal hydridic H-atoms of an activated (hydrided) Fe-catalyst to produce N(2) and H(2) with a low or even no activation barrier. The majority of identified pathways are shown to be highly sensitive to the electronic environment and spin configuration of metallocomplexes. The H(2)-assisted transport of a single H-atom from a bound [N(x)H(y)] moiety to either the proximal or distal (Fe, S or N) active centers of a catalyst provides an alternative degradation (interconversion) mechanism for the relevant intermediates. The two types of molecular hydrogen-assisted reactions highlighted above, namely, the H(2)-assisted dehydrogenation and the transport of H-atoms, suggest theoretical interpretations for the observed H(2)-inhibition of N(2) activation and HD formation (in the presence of D(2)). The DHC reactions of various [N(x)H(y)] moieties are expected to play significant roles in the industrial high-pressure hydrodenitrification and other catalytic processes involving the metabolism of molecular hydrogen.

  7. The roles of dihydrogen bonds in amine borane chemistry.

    PubMed

    Chen, Xuenian; Zhao, Ji-Cheng; Shore, Sheldon G

    2013-11-19

    A dihydrogen bond (DHB) is an electrostatic interaction between a protonic hydrogen and a hydridic hydrogen. Over the past two decades, researchers have made significant progress in the identification and characterization of DHBs and their properties. In comparison with conventional hydrogen bonds (HBs), which have been widely used in catalysis, molecular recognition, crystal engineering, and supramolecular synthesis, chemists have only applied DHBs in very limited ways. Considering that DHBs and conventional HBs have comparable strength, DHBs could be more widely applied in chemistry. Over the past several years, we have explored the impact of DHBs on amine borane chemistry and the syntheses and characterization of amine boranes and ammoniated metal borohydrides for hydrogen storage. Through systematic computational and experimental investigations, we found that DHBs play a dominant role in dictating the reaction pathways (and thus different products) of amine boranes where oppositely charged hydrogens coexist for DHB formation. Through careful experiments, we observed, for the first time, a long-postulated reaction intermediate, ammonia diborane (AaDB), whose behavior is essential to mechanistic understanding of the formation of the diammoniate of diborane (DADB) in the reaction of ammonia (NH3) with tetrahydrofuran borane (THF·BH3). The formation of DADB has puzzled the boron chemistry community for decades. Mechanistic insight enabled us to develop facile syntheses of aminodiborane (ADB), ammonia borane (AB), DADB, and an inorganic butane analog NH3BH2NH2BH3 (DDAB). Our examples, together with those in the literature, reinforce the fact that DHB formation and subsequent molecular hydrogen elimination are a viable approach for creating new covalent bonds and synthesizing new materials. We also review the strong effects of DHBs on the stability of conformers and the hydrogen desorption temperatures of boron-nitrogen compounds. We hope that this Account will

  8. Comparative study on L-asparagine monohydrate doped ADP crystals

    NASA Astrophysics Data System (ADS)

    Rajesh, P.; Ramasamy, P.

    2010-03-01

    Good quality ammonium dihydrogen phosphate single crystals added with 1 mol% of L-asparagine monohydrate in the mother solution were grown from solutions by slow evaporation, slow evaporation along with seed rotation and Sankaranarayanan-Ramasamy method with the vision to improve the properties of the crystals. The growth rate of Sankaranarayanan-Ramasamy method grown crystal was four times higher than the slow evaporation grown crystal. The grown crystals were found to be transparent in the entire visible region. Thermal stability is higher for L-asparagine monohydrate-added ammonium dihydrogen phosphate crystals. Higher hardness has been obtained for the Sankaranarayanan-Ramasamy method grown unidirectional crystal. Slow evaporation along with seed rotation method and Sankaranarayanan-Ramasamy method grown single crystals have low dielectric loss compared to slow evaporation method grown crystal. The second harmonic efficiency was measured for all the crystals and there was no measurable difference obtained between them.

  9. Ammonium nitrate explosive systems

    DOEpatents

    Stinecipher, Mary M.; Coburn, Michael D.

    1981-01-01

    Novel explosives which comprise mixtures of ammonium nitrate and an ammonium salt of a nitroazole in desired ratios are disclosed. A preferred nitroazole is 3,5-dinitro-1,2,4-triazole. The explosive and physical properties of these explosives may readily be varied by the addition of other explosives and oxidizers. Certain of these mixtures have been found to act as ideal explosives.

  10. On the light intensity transmitted through water and aqueous supersaturated ammonium dihydrogen phosphate solutions containing different antisolvents

    NASA Astrophysics Data System (ADS)

    Sangwal, Keshra

    2017-02-01

    Experimental data of the dependence of transmitted laser light intensity I of aqueous ADP solutions saturated at 303.15 K on feeding time t of three antisolvents (i.e. acetone, methanol and ethanol) are analyzed using mathematical equations based on two approaches. The first approach is based on exponential decrease in I with increasing t whereas the second one is based on the concept of adsorption of antisolvent molecules onto solvent and solute molecules. It was found that: (1) the latter approach is superior to the former one for explaining the observed dependence of transmitted laser-beam intensities of pure solvent and aqueous saturated ADP solutions, (2) the parameter A of the second approach provides better insight into the processes of adsorption of antisolvents in terms of the differential heat Qdiff of adsorption, and (3) the trends of changes in the values Qdiff for different antisolvents in water and aqueous solutions are associated with the dielectric constants of different antisolvents and are directly connected with the chemical constitution of the methanol, ethanol and acetone molecules.

  11. Thermodynamic Properties of Organometallic Dihydrogen Complexes for Hydrogen Storage Applications

    NASA Astrophysics Data System (ADS)

    Abrecht, David Gregory

    The mechanism and thermodynamic properties of hydrogen binding to the solid-state complexes [M(CO)dppe2][BArF24] (M = Mn, Re, Tc) and [M'Hdppe2][NTf2] (M' = Fe, Ru, Os) were investigated experimentally and computationally over the temperature range 298K-373K and pressure range 0-2800 torr, based on the Sieverts method. The bulk absorption behavior was found to be accurately described by Langmuir isotherms. Enthalpy and entropy values of ΔH° = -52.2 kJ/mol and ΔS° = -99.6 J/mol-K were obtained experimentally for hydrogen absorption onto [Mn(CO)dppe2][BArF24] from the Langmuir equilibrium constant, and values obtained from electronic structure calculations using the LANL2DZ-ECP basis set were found to successfully reproduce both the pressure-temperature-composition behavior and the thermodynamic values to within 5% of those obtained through experiment. Results from simulations for all complexes yielded large enthalpy values similar to metal hydride formation enthalpies for all complexes studied, and the substitution of the metal center reproduced qualitative binding strength trends of 5d>3d>4d consistent with those previously reported for the group 6 metals. X-ray diffraction patterns and Mössbauer spectra were taken to determine the thermal decomposition pathway for [FeH(η2-H 2)dppe2][NTf2]. Simulations at the B3LYP/TZVP level of theory and experimental Mössbauer spectra confirmed the direct thermal decomposition from singlet-state [FeH(η2-H 2)dppe2][NTf2] to triplet-state [FeHdppe 2][NTf2] under vacuum conditions at 398K. Evaluation of the partial quadrupole splitting values of Q(H2) = -0.245 mm/s from Mössbauer spectroscopy significantly differ from typical values obtained for hydrides, indicating an underutilized mechanism for identification of dihydrogen ligands. Singlet-state thermodynamic values from simulation were consistent with experimental observations for Ru and Os, and ruthenium complexes were found to have thermodynamic properties within

  12. Rapid Dihydrogen Cleavage by Persistent Nitroxide Radicals under Frustrated Lewis Pair Conditions.

    PubMed

    Tao, Xin; Kehr, Gerald; Wang, Xiaowu; Daniliuc, Constantin G; Grimme, Stefan; Erker, Gerhard

    2016-07-04

    Persistent radicals undergo hydrogen atom abstraction reactions with a great variety of substrates, but not with dihydrogen. It has now been found that the TEMPO radical splits dihydrogen under mild conditions in the presence of the strong bulky B(C6 F5 )3 boron Lewis acid. The reaction is thought to proceed by a typical frustrated Lewis pair mechanism with the TEMPO radical acting as the active Lewis base. The reaction was analyzed by DFT, which indicates that no significant spin density on the hydrogen atoms is accumulated along the H2 splitting reaction path.

  13. Nucleation studies and characterization of potassium dihydrogen phosphate single crystals with L-arginine monohydrochloride as additive

    NASA Astrophysics Data System (ADS)

    Dhanaraj, P. V.; Mathew, Santheep K.; Rajesh, N. P.

    2008-05-01

    In the search for suitable non-linear optical (NLO) materials with higher non-linear responses and good optical, thermal, mechanical properties as well as fast growth rate, an attempt has been made to grow potassium dihydrogen phosphate (KDP) single crystals doped with L-arginine monohydrochloride (LAHCl). Slow cooling as well as slow evaporation methods were employed to grow crystals. The concentration of dopants in the mother solution varied from 1 to 10 M%. The solubility data for dopant concentration were determined and are compared with those of pure KDP. Nucleation studies show that metastable zone width of KDP is enhanced by the addition of LAHCl. The effect of additives on the growth, nucleation kinetics, structural, optical and mechanical properties has been investigated. With increasing additive concentration, the growth rate was found to increase. Vicker's microhardness study shows higher mechanical stability in LAHCl-added KDP crystals, the pure ones. Moreover, the addition of LAHCl improves the quality of the crystal surface and yields highly transparent crystals with well-defined features.

  14. On the Dissociation of Methyl Orange: Spectrophotometric Investigation in Aqueous Solutions from 10 to 90ºC and Theoretical Evidence for Intramolecular Dihydrogen Bonding

    SciTech Connect

    Boily, Jean F.; Seward, Terry M.

    2005-12-01

    The dissociation of methyl orange was investigated by spectrophotometry in aqueous solutions from 10 to 90°C and by quantum chemical calculations. Combined chemometric and thermodynamic analyses of the spectrophotometric data were used to simultaneously extract the thermodynamic stabilities and the spectrophotometric attributes of the dominant methyl orange species in solutions containing less than 20.00 mmol kg-1 perchloric acid and submicromolal concentrations of methyl orange. The analyses revealed the presence of only one monomeric deprotonated and one monomeric protonated species. The spectra did not reveal any evidence for the presence of tautomeric equilibria between the protonated azo and ammonium species in the experimental range studied. Thermodynamic analyses of the temperature dependent dissociation constants showed the reactions to be endothermic and enthalpy driven reaction with increasing acidity and increasing temperature. All molar absorption coefficients in the 275-375 nm range can be adequately reproduced in the 10-90°C range with a set of Gauss-Lorentz parameters and used to predict the absorption spectra for any desired condition. The dominant features of the spectrophotometric attributes of the methyl orange species could also be retrieved in Time Dependent-Density Functional Theory (TD-DFT) calculations. Topological analyses of the electron density also revealed the formation of a dihydrogen bond between the azo proton and an adjacent phenyl ring hydridic hydrogen which increases the stability of the azo molecules relative to the ammonium molecule.

  15. Interactively Applying the Variational Method to the Dihydrogen Molecule: Exploring Bonding and Antibonding

    ERIC Educational Resources Information Center

    Cruzeiro, Vinícius Wilian D.; Roitberg, Adrian; Polfer, Nicolas C.

    2016-01-01

    In this work we are going to present how an interactive platform can be used as a powerful tool to allow students to better explore a foundational problem in quantum chemistry: the application of the variational method to the dihydrogen molecule using simple Gaussian trial functions. The theoretical approach for the hydrogen atom is quite…

  16. Metal-mediated dihydrogen activation. What determines the transition-state geometry?

    PubMed

    Devarajan, Deepa; Ess, Daniel H

    2012-06-04

    Density functional theory and absolutely localized molecular orbital energy decomposition analysis calculations were used to calculate and analyze dihydrogen activation transition states and reaction pathways. Analysis of a variety of transition-metal complexes with d(0), d(6), d(8), and d(10) orbital occupation with a diverse range of metal ligands reveals that for transition states, akin to dihydrogen σ complexes, there is a continuum of activated H-H bond lengths that can be classified as "dihydrogen" (0.8-1.0 Å), "stretched or elongated" (1.0-1.2 Å), and "compressed dihydride" (1.2-1.6 Å). These calculations also quantitatively for the first time reveal that the extent to which H(2) is activated in the transition-structure geometry depends on back-bonding orbital interactions and not forward-bonding orbital interactions. This is true regardless of the mechanism or whether the metal ligand complex acts as an electrophile, ambiphile, or nucleophile toward dihydrogen.

  17. Interactively Applying the Variational Method to the Dihydrogen Molecule: Exploring Bonding and Antibonding

    ERIC Educational Resources Information Center

    Cruzeiro, Vinícius Wilian D.; Roitberg, Adrian; Polfer, Nicolas C.

    2016-01-01

    In this work we are going to present how an interactive platform can be used as a powerful tool to allow students to better explore a foundational problem in quantum chemistry: the application of the variational method to the dihydrogen molecule using simple Gaussian trial functions. The theoretical approach for the hydrogen atom is quite…

  18. 70. INTERIOR VIEW OF AMMONIUM NITRATE HOUSE, LOOKING AT AMMONIUM ...

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

    70. INTERIOR VIEW OF AMMONIUM NITRATE HOUSE, LOOKING AT AMMONIUM NITRATE IN STORAGE. APRIL 18, 1919. - United States Nitrate Plant No. 2, Reservation Road, Muscle Shoals, Muscle Shoals, Colbert County, AL

  19. Acute ammonium dichromate poisoning.

    PubMed

    Meert, K L; Ellis, J; Aronow, R; Perrin, E

    1994-10-01

    We report the ingestion of ammonium dichromate by a child that resulted in multiple-organ-system failure and death. Exchange transfusion and hemodialysis were ineffective in removing significant amounts of chromium or causing sustained clinical improvement. We suggest that immediate, large doses of the reducing agent ascorbic acid would allow effective reduction of hexavalent chromium with less cellular toxicity.

  20. Evaluation of corrosion inhibitor for low-pH ammonium nitrate-methanol completion fluid

    SciTech Connect

    Krilov, Z.; Soric, T.; Tomic, M.; Wojtanowicz, A.K.

    1997-02-01

    A specially formulated completion fluid, low-pH ammonium nitrate-methanol-water mixture (ANM), compatible with argillaceous and calcareous Adriatic Sea sandstone formations, appears to be very corrosive for steel wellbore equipment. More than 12 commercially available, as well as some originally formulated, chemical additives were laboratory tested at room temperature using weight-loss and electrochemical methods to find an effective corrosion inhibitor for ANM. Two inhibitors, a commercially available, organic, amine base (OA) and an originally formulated, inorganic, ammonium dihydrogen phosphate base (IB), showed effective protection of carbon steel in contact with ANM fluid (corrosion rate was less than 5 mil/yr). Both selected corrosion inhibitors did not exhibit any additional rock permeability impairment during fluid-rock compatibility flow tests if ANM fluid was filtered before injection into the core samples. For inorganic inhibitor IB, additional filtration of inhibited fluid is not required.

  1. Stable Dihydrogen Complexes of Cobalt(-I) Suggest an Inverse trans-Influence of Lewis Acidic Group 13 Metalloligands.

    PubMed

    Vollmer, Matthew V; Xie, Jing; Lu, Connie C

    2017-05-17

    A triad of d(10) cobalt dihydrogen complexes was synthesized by utilizing Lewis acidic group 13 metalloligands, M[N((o-C6H4)NCH2P(i)Pr2)3], where M = Al, Ga, and In. These complexes have formal Co(-I) oxidation states, representing the only coordination complexes in which dihydrogen is bound to a subvalent transition metal center. Single-crystal X-ray diffraction and NMR studies support the assignment of these complexes as nonclassical dihydrogen adducts of Co(-I).

  2. Controlling the binding of dihydrogen using ruthenium complexes containing N-mono-functionalised 1,4,7-triazacyclononane ligand systems.

    PubMed

    Gott, Andrew L; McGowan, Patrick C; Podesta, Thomas J

    2008-07-28

    Pendant arm macrocycles derived from 1,4,7-triazacyclononane were reacted with RuHCl(CO)(PPh(3))(3) and RuHCl(PPh(3))(3) to yield air-stable cationic ruthenium hydrides that were characterised by a variety of techniques, including X-ray crystallography. Protonation of the metal hydride complexes with a proton source yielded eta(2)-dihydrogen complexes. The lifetime of the dihydrogen ligand was effected by a judicious choice of ancillary ligands.

  3. Facile heterogenization of a cobalt catalyst via graphene adsorption: robust and versatile dihydrogen production systems.

    PubMed

    Eady, Shawn C; Peczonczyk, Sabrina L; Maldonado, Stephen; Lehnert, Nicolai

    2014-07-28

    A heterogeneous dihydrogen (H2) production system has been attained by simply soaking electrodes made from electro-deposited graphene on FTO plated glass in solutions of a cobalt bis(dithiolate) compound. The resulting electrodes are active in weakly acidic aqueous solutions (pH > 3), have relatively low overpotentials (0.37 V versus platinum), show high catalytic rates (TOF > 1000 s(-1)), and are resistant to degradation by dioxygen.

  4. High-pressure study of lithium amidoborane using Raman spectroscopy and insight into dihydrogen bonding absence

    PubMed Central

    Najiba, Shah; Chen, Jiuhua

    2012-01-01

    One of the major obstacles to the use of hydrogen as an energy carrier is the lack of proper hydrogen storage material. Lithium amidoborane has attracted significant attention as hydrogen storage material. It releases ∼10.9 wt% hydrogen, which is beyond the Department of Energy target, at remarkably low temperature (∼90 °C) without borazine emission. It is essential to study the bonding behavior of this potential material to improve its dehydrogenation behavior further and also to make rehydrogenation possible. We have studied the high-pressure behavior of lithium amidoborane in a diamond anvil cell using in situ Raman spectroscopy. We have discovered that there is no dihydrogen bonding in this material, as the N—H stretching modes do not show redshift with pressure. The absence of the dihydrogen bonding in this material is an interesting phenomenon, as the dihydrogen bonding is the dominant bonding feature in its parent compound ammonia borane. This observation may provide guidance to the improvement of the hydrogen storage properties of this potential material and to design new material for hydrogen storage application. Also two phase transitions were found at high pressure at 3.9 and 12.7 GPa, which are characterized by sequential changes of Raman modes. PMID:23115332

  5. Matrix infrared spectra and density functional calculations of transition metal hydrides and dihydrogen complexes.

    PubMed

    Andrews, Lester

    2004-02-20

    Metal hydrides are of considerable importance in chemical synthesis as intermediates in catalytic hydrogenation reactions. Transition metal atoms react with dihydrogen to produce metal dihydrides or dihydrogen complexes and these may be trapped in solid matrix samples for infrared spectroscopic study. The MH(2) or M(H(2)) molecules so formed react further to form higher MH(4), (H(2))MH(2), or M(H(2))(2), and MH(6), (H(2))(2)MH(2), or M(H(2))(3) hydrides or complexes depending on the metal. In this critical review these transition metal and dihydrogen reaction products are surveyed for Groups 3 though 12 and the contrasting behaviour in Groups 6 and 10 is discussed. Minimum energy structures and vibrational frequencies predicted by Density Functional Theory agree with the experimental results, strongly supporting the identification of novel binary transition metal hydride species, which the matrix-isolation method is well-suited to investigate. 104 references are cited.

  6. Brønsted-Lowry Acid Strength of Metal Hydride and Dihydrogen Complexes.

    PubMed

    Morris, Robert H

    2016-08-10

    Transition metal hydride complexes are usually amphoteric, not only acting as hydride donors, but also as Brønsted-Lowry acids. A simple additive ligand acidity constant equation (LAC for short) allows the estimation of the acid dissociation constant Ka(LAC) of diamagnetic transition metal hydride and dihydrogen complexes. It is remarkably successful in systematizing diverse reports of over 450 reactions of acids with metal complexes and bases with metal hydrides and dihydrogen complexes, including catalytic cycles where these reactions are proposed or observed. There are links between pKa(LAC) and pKa(THF), pKa(DCM), pKa(MeCN) for neutral and cationic acids. For the groups from chromium to nickel, tables are provided that order the acidity of metal hydride and dihydrogen complexes from most acidic (pKa(LAC) -18) to least acidic (pKa(LAC) 50). Figures are constructed showing metal acids above the solvent pKa scales and organic acids below to summarize a large amount of information. Acid-base features are analyzed for catalysts from chromium to gold for ionic hydrogenations, bifunctional catalysts for hydrogen oxidation and evolution electrocatalysis, H/D exchange, olefin hydrogenation and isomerization, hydrogenation of ketones, aldehydes, imines, and carbon dioxide, hydrogenases and their model complexes, and palladium catalysts with hydride intermediates.

  7. A study on crystalline perfection, optical, dielectric, mechanical, laser damage threshold and NLO properties of glycine added potassium dihydrogen phosphate single crystals

    NASA Astrophysics Data System (ADS)

    Boopathi, K.; Rajesh, P.; Ramasamy, P.

    2012-06-01

    Single crystals of glycine doped potassium dihydrogen phosphate have been grown by slow evaporation solution technique, slow cooling along with seed rotation and Sankaranaryanan-Ramasamy method. The size of the grown crystal in slow cooling method was 35×25×20 mm3 and in SR method it was 20 mm in diameter and 110 mm in length. The grown crystals were characterized by HRXRD, UV-Visible, dielectric, Vickers microhardness, laser damage threshold and SHG studies. The crystalline perfection of the grown crystals has been analyzed by high resolution X-ray diffraction. The transmittance of the grown crystals is 66%, 70%, and 77% respectively and all the crystals have good transparency in the entire visible region. The crystal grown by SR method glycine added KDP has much higher hardness value than other method grown crystals. Higher laser damage threshold was observed in SR method grown glycine added KDP crystal compared to SR method grown pure KDP crystal. The second harmonic generation efficiency of the glycine doped KDP is increased compared to pure KDP.

  8. Ammonium imidazolium dichromate.

    PubMed

    Zhu, Run-Qiang

    2012-04-01

    In the crystal structure of the title compound, (C(3)H(5)N(2))(NH(4))[Cr(2)O(7)], the anions and cations are linked through N-H⋯O hydrogen bonds, resulting in a three-dimensional structure which contains three kinds of layers parallel to (001). One layer contains imidazole cations, the other two layers the ammonium cations and dichromate anions. The dichromate anion has an eclipsed conformation with a dihedral angle of 14.65 (18)° between the mean planes of the O-P-O-P-O backbone.

  9. Adjusting ammonium uptake via phosphorylation.

    PubMed

    Lanquar, Viviane; Frommer, Wolf B

    2010-06-01

    In plants, AMT/MEP/Rh superfamily mediates high affinity ammonium uptake. AMT/MEP transporters form a trimeric complex, which requires a productive interaction between subunits in order to be functional. The AMT/MEP C-terminal domain is highly conserved in more than 700 AMT homologs from cyanobacteria to higher plants with no cases found to be lacking this domain. AMT1;1 exists in active and inactive states, probably controlled by the spatial positioning of the C-terminus. Ammonium triggers the phosphorylation of a conserved threonine residue (T460) in the C-terminus of AMT1;1 in a time- and concentration-dependent manner. The T460 phosphorylation level correlates with a decrease of root ammonium uptake. We propose that ammonium-induced phosphorylation modulates ammonium uptake as a general mechanism to protect against ammonium toxicity.

  10. Adjusting ammonium uptake via phosphorylation

    PubMed Central

    Lanquar, Viviane

    2010-01-01

    In plants, AMT/MEP/Rh superfamily mediates high affinity ammonium uptake. AMT/MEP transporters form a trimeric complex, which requires a productive interaction between subunits in order to be functional. The AMT/MEP C-terminal domain is highly conserved in more than 700 AMT homologs from cyanobacteria to higher plants with no cases found to be lacking this domain. AMT1;1 exists in active and inactive states, probably controlled by the spatial positioning of the C-terminus. Ammonium triggers the phosphorylation of a conserved threonine residue (T460) in the C-terminus of AMT1;1 in a time- and concentration-dependent manner. The T460 phosphorylation level correlates with a decrease of root ammonium uptake. We propose that ammonium-induced phosphorylation modulates ammonium uptake as a general mechanism to protect against ammonium toxicity. PMID:20418663

  11. Hydrothermal synthesis of ammonium illite

    USGS Publications Warehouse

    Sucha, V.; Elsass, F.; Eberl, D.D.; Kuchta, L'.; Madejova, J.; Gates, W.P.; Komadel, P.

    1998-01-01

    Synthetic gel and glass of illitic composition, natural kaolinite, and mixed-layer illite-smectite were used as starting materials for hydrothermal synthesis of ammonium illite. Ammonium illite was prepared from synthetic gel by hydrothermal treatment at 300??C. The onset of crystallization began within 3 h, and well-crystallized ammonium illite appeared at 24 h. Increasing reaction time (up to four weeks) led to many illite layers per crystal. In the presence of equivalent proportions of potassium and ammonium, the gel was transformed to illite with equimolar contents of K and NH4. In contrast, synthesis using glass under the same conditions resulted in a mixture of mixed-layer ammonium illite-smectite with large expandability and discrete illite. Hydrothermal treatments of the fine fractions of natural kaolinite and illite-smectite produced ammonium illite from kaolinite but the illite-smectite remained unchanged.

  12. Ammonium assimilation in cyanobacteria.

    PubMed

    Muro-Pastor, M Isabel; Reyes, Jose C; Florencio, Francisco J

    2005-01-01

    In cyanobacteria, after transport by specific permeases, ammonium is incorporated into carbon skeletons by the sequential action of glutamine synthetase (GS) and glutamate synthase (GOGAT). Two types of GS (GSI and GSIII) and two types of GOGAT (ferredoxin-GOGAT and NADH-GOGAT) have been characterized in cyanobacteria. The carbon skeleton substrate of the GS-GOGAT pathway is 2-oxoglutarate that is synthesized by the isocitrate dehydrogenase (IDH). In order to maintain the C-N balance and the amino acid pools homeostasis, ammonium assimilation is tightly regulated. The key regulatory point is the GS, which is controlled at transcriptional and posttranscriptional levels. The transcription factor NtcA plays a critical role regulating the expression of the GS and the IDH encoding genes. In the unicellular cyanobacterium Synechocystis sp. PCC 6803, NtcA controls also the expression of two small proteins (IF7 and IF17) that inhibit the activity of GS by direct protein-protein interaction. Cyanobacteria perceive nitrogen status by sensing the intracellular concentration of 2-oxoglutarate, a signaling metabolite that is able to modulate allosterically the function of NtcA, in vitro. In vivo, a functional dependence between NtcA and the signal transduction protein PII in controlling NtcA-dependent genes has been also shown.

  13. Phosphorous doping a semiconductor particle

    DOEpatents

    Stevens, Gary Don; Reynolds, Jeffrey Scott

    1999-07-20

    A method (10) of phosphorus doping a semiconductor particle using ammonium phosphate. A p-doped silicon sphere is mixed with a diluted solution of ammonium phosphate having a predetermined concentration. These spheres are dried (16, 18), with the phosphorus then being diffused (20) into the sphere to create either a shallow or deep p-n junction. A good PSG glass layer is formed on the surface of the sphere during the diffusion process. A subsequent segregation anneal process is utilized to strip metal impurities from near the p-n junction into the glass layer. A subsequent HF strip procedure is then utilized to removed the PSG layer. Ammonium phosphate is not a restricted chemical, is inexpensive, and does not pose any special shipping, handling, or disposal requirement.

  14. Phosphorus doping a semiconductor particle

    DOEpatents

    Stevens, G.D.; Reynolds, J.S.

    1999-07-20

    A method of phosphorus doping a semiconductor particle using ammonium phosphate is disclosed. A p-doped silicon sphere is mixed with a diluted solution of ammonium phosphate having a predetermined concentration. These spheres are dried with the phosphorus then being diffused into the sphere to create either a shallow or deep p-n junction. A good PSG glass layer is formed on the surface of the sphere during the diffusion process. A subsequent segregation anneal process is utilized to strip metal impurities from near the p-n junction into the glass layer. A subsequent HF strip procedure is then utilized to removed the PSG layer. Ammonium phosphate is not a restricted chemical, is inexpensive, and does not pose any special shipping, handling, or disposal requirement. 1 fig.

  15. Ammonium Regulation in Aspergillus nidulans

    PubMed Central

    Pateman, J. A.; Kinghorn, J. R.; Dunn, Etta; Forbes, E.

    1973-01-01

    l-Glutamate uptake, thiourea uptake, and methylammonium uptake and the intracellular ammonium concentration were measured in wild-type and mutant cells of Aspergillus nidulans held in various concentrations of ammonium and urea. The levels of l-glutamate uptake, thiourea uptake, nitrate reductase, and hypoxanthine dehydrogenase activity are determined by the extracellular ammonium concentration. The level of methylammonium uptake is determined by the intracellular ammonium concentration. The uptake and enzyme characteristics of the ammonium-derepressed mutants, meaA8, meaB6, DER3, amrA1, xprD1, and gdhA1, are described. The gdhA mutants lack normal nicotinamide adenine dinucleotide phosphate-glutamate dehydrogenase (NADP-GDH) activity and are derepressed with respect to both external and internal ammonium. The other mutant classes are derepressed only with respect to external ammonium. The mutants meaA8, DER3, amrA1, and xprD1 have low levels of one or more of the l-glutamate, thiourea, and methylammonium uptake systems. A model for ammonium regulation in A. nidulans is put forward which suggests: (i) NADP-GDH located in the cell membrane complexes with extracellular ammonium. This first regulatory complex determines the level of l-glutamate uptake, thiourea uptake, nitrate reductase, and xanthine dehydrogenase by repression or inhibition, or both. (ii) NADP-GDH also complexes with intracellular ammonium. This second and different form of regulatory complex determines the level of methylammonium uptake by repression or inhibition, or both. PMID:4145865

  16. Molybdenum triamidoamine systems. Reactions involving dihydrogen relevant to catalytic reduction of dinitrogen.

    PubMed

    Hetterscheid, Dennis G H; Hanna, Brian S; Schrock, Richard R

    2009-09-07

    [HIPTN(3)N]Mo(N(2)) (MoN(2)) ([HIPTN(3)N](3-) = [(HIPTNCH(2)CH(2))(3)N](3-) where HIPT = 3,5-(2,4,6-i-Pr(3)C(6)H(2))(2)C(6)H(3)) reacts with dihydrogen slowly (days) at 22 degrees C to yield [HIPTN(3)N]MoH(2) (MoH(2)), a compound whose properties are most consistent with it being a dihydrogen complex of Mo(III). The intermediate in the slow reaction between MoN(2) and H(2) is proposed to be [HIPTN(3)N]Mo (Mo). In contrast, MoN(2), MoNH(3), and MoH(2) are interconverted rapidly in the presence of H(2), N(2), and NH(3), and MoH(2) is the lowest energy of the three Mo compounds. Catalytic runs with MoH(2) as a catalyst suggest that it is competent for reduction of N(2) with protons and electrons under standard conditions. [HIPTN(3)N]MoH(2) reacts rapidly with HD to yield a mixture of [HIPTN(3)N]MoH(2), [HIPTN(3)N]MoD(2), and [HIPTN(3)N]MoHD, and rapidly catalyzes H/D exchange between H(2) and D(2). MoH(2) reacts readily with ethylene, PMe(3), and CO to yield monoadducts. Reduction of dinitrogen to ammonia in the presence of 32 equiv of added hydrogen (vs Mo) is not catalytic, consistent with dihydrogen being an inhibitor of dinitrogen reduction.

  17. Molybdenum Triamidoamine Systems. Reactions Involving Dihydrogen Relevant to Catalytic Reduction of Dinitrogen

    PubMed Central

    Hetterscheid, Dennis G. H.; Hanna, Brian S.; Schrock, Richard R.

    2009-01-01

    [HIPTN3N]Mo(N2) (MoN2) ([HIPTN3N]3− = [(HIPTNCH2CH2)3N]3− where HIPT = 3,5-(2,4,6-i-Pr3C6H2)2C6H3) reacts with dihydrogen slowly (days) at 22 °C to yield [HIPTN3N]MoH2 (MoH2), a compound whose properties are most consistent with it being a dihydrogen complex of Mo(III). The intermediate in the slow reaction between MoN2 and H2 is proposed to be [HIPTN3N]Mo (Mo). In contrast, MoN2, MoNH3, and MoH2 are interconverted rapidly in the presence of H2, N2, and NH3, and MoH2 is the lowest energy of the three Mo compounds. Catalytic runs with MoH2 as a catalyst suggest that it is competent for reduction of N2 with protons and electrons under standard conditions. [HIPTN3N]MoH2 reacts rapidly with HD to yield a mixture of [HIPTN3N]MoH2, [HIPTN3N]MoD2, and [HIPTN3N]MoHD, and rapidly catalyzes H/D exchange between H2 and D2. MoH2 reacts readily with ethylene, PMe3, and CO to yield monoadducts. Reduction of dinitrogen to ammonia in the presence of 32 equivalents of added hydrogen (vs. Mo) is not catalytic, consistent with dihydrogen being an inhibitor of dinitrogen reduction. PMID:19639973

  18. Estimating the acidity of transition metal hydride and dihydrogen complexes by adding ligand acidity constants.

    PubMed

    Morris, Robert H

    2014-02-05

    A simple equation (pKa(THF) = ∑AL + Ccharge + Cnd + Cd6) can be used to obtain an estimate of the pKa of diamagnetic transition metal hydride and dihydrogen complexes in tetrahydrofuran, and, by use of conversion equations, in other solvents. It involves adding acidity constants AL for each of the ligands in the 5-, 6-, 7-, or 8-coordinate conjugate base complex of the hydride or dihydrogen complex along with a correction for the charge (Ccharge = -15, 0 or 30 for x = +1, 0 or -1 charge, respectively) and the periodic row of the transition metal (Cnd = 0 for 3d or 4d metal, 2 for 5d metal) as well as a correction for d(6) octahedral acids (Cd6 = 6 for d(6) metal ion in the acid, 0 for others) that are not dihydrogen complexes. Constants AL are provided for 13 commonly occurring ligand types; of these, nine neutral ligands are correlated with Lever's electrochemical ligand parameters EL. This method gives good estimates of the over 170 literature pKa values that range from less than zero to 50 with a standard deviation of 3 pKa units for complexes of the metals chromium to nickel, molybdenum, ruthenium to palladium, and tungsten to platinum in the periodic table. This approach allows a quick assessment of the acidity of hydride complexes found in nature (e.g., hydrogenases) and in industry (e.g., catalysis and hydrogen energy applications). The pKa values calculated for acids that have bulky or large bite angle chelating ligands deviate the most from this correlation. The method also provides an estimate of the base strength of the deprotonated form of the complex.

  19. Ammonia Borane Clusters: Energetics of Dihydrogen Bonding, Cooperativity, and the Role of Electrostatics.

    PubMed

    Vijayalakshmi, Kunduchi P; Suresh, Cherumuttathu H

    2017-03-24

    Cluster formation of ammonia borane (NH3BH3) driven by noncovalent H···H dihydrogen interaction is investigated at the M06L/6-311+G(d,p) level of density functional theory. For clusters containing up to six monomers, ladder, cyclic, stacked, cross-stacked, end-on, mixed and hexagonal configurations have been screened for their energetic stability. In the dimer, 7.94 kcal/mol stabilization energy per monomer (Em) is observed. Compared to ladder and cyclic configurations, a tetramer consisting of stacked dimer units is more stable by 3.0 kcal/mol whereas a hexamer composed of hexagonally arranged monomers promoting side-on H···H interaction is more stable than a stacked configuration by 2.5 kcal/mol. The hexagonal packing of cluster is repeated to obtain (NH3BH3)12, (NH3BH3)18, (NH3BH3)36, (NH3BH3)48, and (NH3BH3)54 clusters. The Em 17.81 kcal/mol observed for (NH3BH3)54 is 2.24 fold higher than the dimer, suggesting strong cooperativity in cluster growth mechanism. The zwitterionic features of NH3BH3 is characterized in terms of molecular electrostatic potential (MESP) features. During cluster formation, donation of electron density from negatively charged BH3 unit of a monomer to the positively charged NH3 unit of other interacting monomers occurs through H···H dihydrogen bonding. The extent of electron donation is revealed through the value of MESP minium (Vmin) in every monomer. A strong linear correlation between the total value of Vmin for a cluster (ΣVmin) and the total stabilization energy of the cluster (Estb) is established. Further, MESP at the nuclei of N (VN) and B (VB) are found to be very sensitive to the strength of H···H bonding. With respect to free NH3BH3, the total change in VN (ΣΔVN) as well as the total change in VB (ΣΔVB) in a cluster shows near-perfect linear correlation with Estb. Further, the magnitude of the three quantities, viz. ΣΔVN, ΣΔVB, and Estb is nearly same and indicates that the cluster formation of NH3BH3 is

  20. Bulk crystals of L-Histidinium dihydrogen phosphate orthophosphoric acid grown by Sankaranarayanan-Ramasamy method

    NASA Astrophysics Data System (ADS)

    Ittyachan, Reena; Arunkumar, A.

    2017-01-01

    L-Histidinium dihydrogen phosphate orthophosphoric acid (LHDP) crystal of length 80 mm long and 20 mm diameter has been grown from aqueous solution along c-axis using Sankaranarayanan-Ramasamy method. The unit cell parameters were confirmed by single crystal X-ray diffraction analysis and it belongs to orthorhombic system. The UV-vis-NIR spectrum showed that the grown crystal is transparent in the entire visible region. The lower optical cut-off wavelength for this crystal was observed at 240 nm. Fluorescence studies were carried out in range of 200-700 nm. SHG efficiency was analyzed using Kurtz-Perry powder technique.

  1. Improvement of the bulk laser damage threshold of potassium dihydrogen phosphate crystals by ultraviolet irradiation

    SciTech Connect

    Yokotani, A.; Sasaki, T.; Yoshida, K.; Yamanaka, T.; Yamanaka, C.

    1986-04-21

    Potassium dihydrogen phosphate (KDP) crystals were grown under the irradiation of ultraviolet light. The bulk laser damage threshold was improved to two to three times (15-20 J/cm/sup 2/) compared to the case of crystals grown by conventional methods. Microbes such as germs and bacteria are frequently generated in the KDP solution with the usual growth method. The ultraviolet light reduces or eliminates organic materials such as microbes or their carcasses incorporated into the crystal, which are the cause of low damage threshold.

  2. Crystal Structure of High-Pressure Phases V and VI of Potassium Dihydrogen Phosphate

    NASA Astrophysics Data System (ADS)

    Nakamoto, Yuki; Sakata, Masafumi; Fujihisa, Hiroshi; Shimizu, Katsuya; Deguchi, Kiyoshi

    2012-06-01

    Potassium dihydrogen phosphate KH2PO4 is the most typical hydrogen-bonded ferroelectric. The P--T phase diagram and the existence of high-pressure phases V and VI have already been reported. However, their crystal structures remain unknown. We performed a powder x-ray diffraction experiment under high pressure using synchrotron radiation and analyzed the structures from the obtained data. The structures of phases V and VI were determined to be orthorhombic C2221 and triclinic P\\bar{1}. Their hydrogen positions were predicted by a density functional theory calculation.

  3. Ab initio path integral molecular dynamics simulation study on the dihydrogen bond of NH4+⋯BeH2

    NASA Astrophysics Data System (ADS)

    Hayashi, Aiko; Shiga, Motoyuki; Tachikawa, Masanori

    2005-07-01

    An ab initio path integral molecular dynamics simulation has been performed to study the quantum and thermal effects of a dihydrogen bonded cation, NH4+⋯BeH2. In this system, an attractive interaction exists between two neighboring hydrogen atoms as N δ- H δ+ ⋯H δ- Be δ+ involving large-amplitude of vibration. Some properties playing a key role for this dihydrogen bonded system, such as the bond length, bond angle, and distribution of atomic charges, are investigated in detail by comparing the results of path integral and classical molecular dynamics with those of the equilibrium structure. It was found that the atomic charges of H δ+ and H δ- are decreased and the dihydrogen H δ+ ⋯H δ- bond length is expanded as the thermal and zero-point quantum effects.

  4. Growth and characterization of KDP crystals doped with L-aspartic acid

    NASA Astrophysics Data System (ADS)

    Krishnamurthy, R.; Rajasekaran, R.; Samuel, Bincy Susan

    2013-03-01

    Potassium Dihydrogen Phosphate (KDP) doped with L-aspartic acid has been grown by solvent slow evaporation technique from a mixture of aqueous solution of KDP and 0.7% of L-aspartic acid at room temperature. The grown crystals were characterized by powder X-ray diffraction, UV-visible, FTIR analysis. The doping of aspartic acid was confirmed by FTIR spectrum. The Nonlinear optical property (SHG) of L-aspartic acid doped KDP has been confirmed. Microhardness studies were carried out on the grown crystal.

  5. Growth and characterization of KDP crystals doped with L-aspartic acid.

    PubMed

    Krishnamurthy, R; Rajasekaran, R; Samuel, Bincy Susan

    2013-03-01

    Potassium Dihydrogen Phosphate (KDP) doped with L-aspartic acid has been grown by solvent slow evaporation technique from a mixture of aqueous solution of KDP and 0.7% of L-aspartic acid at room temperature. The grown crystals were characterized by powder X-ray diffraction, UV-visible, FTIR analysis. The doping of aspartic acid was confirmed by FTIR spectrum. The Nonlinear optical property (SHG) of L-aspartic acid doped KDP has been confirmed. Microhardness studies were carried out on the grown crystal.

  6. Toxicokinetics of ammonium perfluorohexanoate.

    PubMed

    Iwai, Hiroyuki

    2011-10-01

    Excretion patterns and rates of ammonium perfluorohexanoate (APFHx) after administration of a single and multiple (14 days) oral dose(s) at 50 mg/kg to male and female mice and rats were examined. The test substance was [(14)C]-labeled APFHx. After a single oral administration, total excretion was rapid, with mean recoveries of over 90% of the dose at 24 hours after administration, irrespective of gender or species. The major route of elimination was via the urine (means of percentage recovery between 73.0 and 90.2% of the dose), followed by the feces (means of percentage recovery between 7.0 and 15.5% of the dose). Elimination via expired air was negligible. For the multiple dose tests, multiple (13 daily doses) oral administration of APFHx was followed by a single oral administration of [(14)C]-APFHx. Excretion was rapid, with mean recoveries of over 90% of the administered dose (mean values >95% of the ultimately recovered material) at 24 hours after dosing, irrespective of gender or species. The major route of elimination was via the urine (means of percentage recovery between 77.8 and 83.4% of the dose), followed by the feces (means of percentage recovery between 9.6 and 12.9% of the dose).

  7. Crystal structure, vibrational spectra and theoretical studies of L-histidinium dihydrogen phosphate-phosphoric acid

    NASA Astrophysics Data System (ADS)

    Ahmed, A. Ben; Feki, H.; Abid, Y.; Boughzala, H.; Minot, C.; Mlayah, A.

    2009-02-01

    In this work, we report a combined experimental and theoretical study on molecular structure and vibrational spectra of L-histidinium dihydrogen phosphate-phosphoric acid, with particular emphasize on the correlation between the intermolecular hydrogen bonds and the hyperpolarizability. Single crystal of L-histidinium dihydrogen phosphate-phosphoric acid has been subjected to X-ray diffraction and Raman spectroscopy. The title compound crystallises in the non-centrosymmetric space group P2 1. Raman spectra have been recorded in the frequency range [150-3350 cm -1]. To obtain a more reliable assignment of the Raman and IR spectra, we have calculated the geometry and the frequencies using HF and DFT methods. All the experimental vibrational bands have been discussed and assigned to normal mode or to combinations and overtones on the basis of our calculations. The optimized geometric bond lengths and bond angles obtained by using HF and DFT (B3LYP and BLYP) are in well agreement with the experimental data. The results of DFT-B3LYP method have shown better fit to experimental ones than HF in evaluating vibrational frequencies. To investigate microscopic second order non-linear optical behaviour of the examined complex, the electric dipole μ, the polarizability α and the hyperpolarizability β were computed using DFT//B3LYP/6-31 G(d) method. According to our calculation, the title compound exhibits non-zero β value revealing microscopic second order NLO behaviour.

  8. Ammonium nitrate cold pack ingestion.

    PubMed

    Challoner, K R; McCarron, M M

    1988-01-01

    Disposable ammonium nitrate cold packs are widely used in emergency departments instead of ice bags. Five confused or suicidal patients who tore open a pack and ingested from 64 to 234 grams of ammonium nitrate in a single dose, and another patient who attempted to do so, are reported. It is known that chronic ingestion of 6 to 12 grams/day of ammonium nitrate may cause gastritis, acidosis, isosmotic diuresis, and nitrite toxicity manifesting as methemoglobinemia or vasodilatation. None of these patients developed severe toxicity, although three had symptoms of gastritis, three had slight methemoglobinemia, and two had mild hypotension. The product was removed from the stomach promptly in three of the five patients. None had pre-existing renal or intestinal dysfunction, which are known to enhance ammonium nitrate toxicity.

  9. High performance ammonium nitrate propellant

    NASA Technical Reports Server (NTRS)

    Anderson, F. A. (Inventor)

    1979-01-01

    A high performance propellant having greatly reduced hydrogen chloride emission is presented. It is comprised of: (1) a minor amount of hydrocarbon binder (10-15%), (2) at least 85% solids including ammonium nitrate as the primary oxidizer (about 40% to 70%), (3) a significant amount (5-25%) powdered metal fuel, such as aluminum, (4) a small amount (5-25%) of ammonium perchlorate as a supplementary oxidizer, and (5) optionally a small amount (0-20%) of a nitramine.

  10. 21 CFR 184.1138 - Ammonium chloride.

    Code of Federal Regulations, 2014 CFR

    2014-04-01

    ... GRAS § 184.1138 Ammonium chloride. (a) Ammonium chloride (NH4Cl, CAS Reg. No. 12125-02-9) is produced by the reaction of sodium chloride and an ammonium salt in solution. The less soluble sodium salt... 21 Food and Drugs 3 2014-04-01 2014-04-01 false Ammonium chloride. 184.1138 Section 184.1138...

  11. 21 CFR 184.1137 - Ammonium carbonate.

    Code of Federal Regulations, 2011 CFR

    2011-04-01

    ...). It is prepared by the sublimation of a mixture of ammonium sulfate and calcium carbonate and occurs... 21 Food and Drugs 3 2011-04-01 2011-04-01 false Ammonium carbonate. 184.1137 Section 184.1137 Food... Specific Substances Affirmed as GRAS § 184.1137 Ammonium carbonate. (a) Ammonium carbonate ((NH4)2CO3, CAS...

  12. 21 CFR 184.1137 - Ammonium carbonate.

    Code of Federal Regulations, 2012 CFR

    2012-04-01

    ...). It is prepared by the sublimation of a mixture of ammonium sulfate and calcium carbonate and occurs... 21 Food and Drugs 3 2012-04-01 2012-04-01 false Ammonium carbonate. 184.1137 Section 184.1137 Food... Specific Substances Affirmed as GRAS § 184.1137 Ammonium carbonate. (a) Ammonium carbonate ((NH4)2CO3, CAS...

  13. 21 CFR 184.1137 - Ammonium carbonate.

    Code of Federal Regulations, 2013 CFR

    2013-04-01

    ...). It is prepared by the sublimation of a mixture of ammonium sulfate and calcium carbonate and occurs... 21 Food and Drugs 3 2013-04-01 2013-04-01 false Ammonium carbonate. 184.1137 Section 184.1137 Food... Specific Substances Affirmed as GRAS § 184.1137 Ammonium carbonate. (a) Ammonium carbonate ((NH4)2CO3, CAS...

  14. 21 CFR 184.1137 - Ammonium carbonate.

    Code of Federal Regulations, 2010 CFR

    2010-04-01

    ...). It is prepared by the sublimation of a mixture of ammonium sulfate and calcium carbonate and occurs... 21 Food and Drugs 3 2010-04-01 2009-04-01 true Ammonium carbonate. 184.1137 Section 184.1137 Food... Specific Substances Affirmed as GRAS § 184.1137 Ammonium carbonate. (a) Ammonium carbonate ((NH4)2CO3, CAS...

  15. 21 CFR 184.1135 - Ammonium bicarbonate.

    Code of Federal Regulations, 2013 CFR

    2013-04-01

    ... 21 Food and Drugs 3 2013-04-01 2013-04-01 false Ammonium bicarbonate. 184.1135 Section 184.1135... Listing of Specific Substances Affirmed as GRAS § 184.1135 Ammonium bicarbonate. (a) Ammonium bicarbonate.... Crystals of ammonium bicarbonate are precipitated from solution and subsequently washed and dried. (b) The...

  16. 21 CFR 184.1135 - Ammonium bicarbonate.

    Code of Federal Regulations, 2011 CFR

    2011-04-01

    ... 21 Food and Drugs 3 2011-04-01 2011-04-01 false Ammonium bicarbonate. 184.1135 Section 184.1135... Listing of Specific Substances Affirmed as GRAS § 184.1135 Ammonium bicarbonate. (a) Ammonium bicarbonate.... Crystals of ammonium bicarbonate are precipitated from solution and subsequently washed and dried. (b) The...

  17. 21 CFR 184.1135 - Ammonium bicarbonate.

    Code of Federal Regulations, 2010 CFR

    2010-04-01

    ... 21 Food and Drugs 3 2010-04-01 2009-04-01 true Ammonium bicarbonate. 184.1135 Section 184.1135... Listing of Specific Substances Affirmed as GRAS § 184.1135 Ammonium bicarbonate. (a) Ammonium bicarbonate.... Crystals of ammonium bicarbonate are precipitated from solution and subsequently washed and dried. (b) The...

  18. 21 CFR 184.1135 - Ammonium bicarbonate.

    Code of Federal Regulations, 2012 CFR

    2012-04-01

    ... 21 Food and Drugs 3 2012-04-01 2012-04-01 false Ammonium bicarbonate. 184.1135 Section 184.1135... Listing of Specific Substances Affirmed as GRAS § 184.1135 Ammonium bicarbonate. (a) Ammonium bicarbonate.... Crystals of ammonium bicarbonate are precipitated from solution and subsequently washed and dried. (b) The...

  19. Solubility of the Sodium and Ammonium Salts of Oxalic Acid in Water with Ammonium Sulfate.

    PubMed

    Buttke, Lukas G; Schueller, Justin R; Pearson, Christian S; Beyer, Keith D

    2016-08-18

    The solubility of the sodium and ammonium salts of oxalic acid in water with ammonium sulfate present has been studied using differential scanning calorimetry, X-ray crystallography, and infrared spectroscopy. The crystals that form from aqueous mixtures of ammonium sulfate/sodium hydrogen oxalate were determined to be sodium hydrogen oxalate monohydrate under low ammonium sulfate conditions and ammonium hydrogen oxalate hemihydrate under high ammonium sulfate conditions. Crystals from aqueous mixtures of ammonium sulfate/sodium oxalate were determined to be ammonium oxalate monohydrate under moderate to high ammonium sulfate concentrations and sodium oxalate under low ammonium sulfate concentrations. It was also found that ammonium sulfate enhances the solubility of the sodium oxalate salts (salting in effect) and decreases the solubility of the ammonium oxalate salts (salting out effect). In addition, a partial phase diagram for the ammonium hydrogen oxalate/water system was determined.

  20. 46 CFR 148.205 - Ammonium nitrate and ammonium nitrate fertilizers.

    Code of Federal Regulations, 2012 CFR

    2012-10-01

    ... 46 Shipping 5 2012-10-01 2012-10-01 false Ammonium nitrate and ammonium nitrate fertilizers. 148... Materials § 148.205 Ammonium nitrate and ammonium nitrate fertilizers. (a) This section applies to the stowage and transportation in bulk of ammonium nitrate and the following fertilizers composed of...

  1. 46 CFR 148.205 - Ammonium nitrate and ammonium nitrate fertilizers.

    Code of Federal Regulations, 2014 CFR

    2014-10-01

    ... 46 Shipping 5 2014-10-01 2014-10-01 false Ammonium nitrate and ammonium nitrate fertilizers. 148... Materials § 148.205 Ammonium nitrate and ammonium nitrate fertilizers. (a) This section applies to the stowage and transportation in bulk of ammonium nitrate and the following fertilizers composed of...

  2. 46 CFR 148.205 - Ammonium nitrate and ammonium nitrate fertilizers.

    Code of Federal Regulations, 2011 CFR

    2011-10-01

    ... 46 Shipping 5 2011-10-01 2011-10-01 false Ammonium nitrate and ammonium nitrate fertilizers. 148... Materials § 148.205 Ammonium nitrate and ammonium nitrate fertilizers. (a) This section applies to the stowage and transportation in bulk of ammonium nitrate and the following fertilizers composed of...

  3. 46 CFR 148.205 - Ammonium nitrate and ammonium nitrate fertilizers.

    Code of Federal Regulations, 2013 CFR

    2013-10-01

    ... 46 Shipping 5 2013-10-01 2013-10-01 false Ammonium nitrate and ammonium nitrate fertilizers. 148... Materials § 148.205 Ammonium nitrate and ammonium nitrate fertilizers. (a) This section applies to the stowage and transportation in bulk of ammonium nitrate and the following fertilizers composed of...

  4. Dihydrogen addition in a dinuclear rare-earth metal hydride complex supported by a metalated TREN ligand.

    PubMed

    Venugopal, Ajay; Fegler, Waldemar; Spaniol, Thomas P; Maron, Laurent; Okuda, Jun

    2011-11-09

    The dinuclear lutetium dihydride dication supported by metalated tripodal ligands undergoes facile hydrogenolysis with H(2) to form a trihydride dication. Molecular orbital analysis shows that the LUMO is a bonding Lu···Lu orbital that is poised to activate dihydrogen.

  5. DFT study on the mechanism of water-assisted dihydrogen elimination in group 6 octahedral metal hydride complexes.

    PubMed

    Sandhya, K S; Suresh, Cherumuttathu H

    2012-08-28

    The reaction of water with octahedral bis-, tris- and tetrakis-(phosphine)tungsten, (phosphine)molybdenum and (phosphine)chromium complexes has been studied using B3LYP/def2-TZVPP level of DFT to elucidate dissociative, associative and hydride migratory insertion mechanisms for hydrogen elimination. In the dissociative mechanism, phosphine dissociation requires 19.3-28.5 kcal mol(-1) of energy. The phosphine-water ligand exchange is endergonic due to poor coordination ability of water to group 6 metals (binding energy 8.8-15.5 kcal mol(-1)). The ligand exchange leads to intermolecular M-H···H(2)O dihydrogen interaction and facilitates dihydrogen elimination (G(act) = 6.8-15.5 kcal mol(-1)). In the associative mechanism, a water molecule in the first solvation shell interacts with the M-H bond through a dihydrogen bond (interaction energy 2.7-4.0 kcal mol(-1)) and leads to the elimination of H(2) by forming a hydroxide complex. Compared to the dissociative mechanism, G(act) of associative mechanisms are ~22 kcal mol(-1) higher. In the hydride migratory insertion mechanism, the hydride ligand shifts to the CO ligand (G(act) = 25.4-30.4 kcal mol(-1)) to afford a formyl complex and subsequently the H-H bond coupling occurs between formyl and water ligand (G(act) = 2.8-4.4 kcal mol(-1)). In many cases, the migratory insertion mechanism can simultaneously operate with the dissociative mechanism as a minor pathway, whereas owing to high G(act) value, the associative mechanism can be described as inactive in the reaction. The general argument that dihydrogen elimination is preceded by the formation of a dihydrogen intermediate is not applicable for the systems studied herein as the most favoured dissociative mechanism does not pass through such an intermediate. On the other hand, irrespective of the mechanisms, dihydrogen elimination invariably occurs with the formation of a dihydrogen bonded transition state. Our results also suggest that group 6 octahedral metal

  6. Potassium dihydrogen phosphate and potassium tantalate niobate pyroelectric materials and far-infrared detectors

    SciTech Connect

    Baumann, Hilary Beatrix

    1993-10-01

    This thesis discusses characterization of two ferroelectric materials and the fabrication of bolometers. Potassium tantalate niobate (KTN) and potassium dihydrogen phosphate (KDP) are chosen because they can be optimized for operation near 100K. Chap. 2 reviews the physics underlying pyroelectric materials and its subclass of ferroelectric materials. Aspects of pyroelectric detection are discussed in Chap. 3 including measurement circuit, noise sources, and effects of materials properties on pyroelectric response. Chap. 4 discusses materials selection and specific characteristics of KTN and KDP; Chap. 5 describes materials preparation; and Chap. 6 presents detector configuration and a thermal analysis of the pyroelectric detector. Electrical techniques used to characterize the materials and devices and results are discussed in Chap. 7 followed by conclusions on feasibility of KDP and KTN pyroelectric detectors in Chap. 8.

  7. Charge-density distribution in potassium dihydrogen phosphoglycolate--a comparison of phosphate and phosphonate groups.

    PubMed

    Mermer, Adrian; Starynowicz, Przemysław

    2012-12-01

    Analysis of the experimental and theoretical charge-density distribution in potassium dihydrogen phosphoglycolate has been performed. The P-O bonds in the phosphate group are more polarized and the P atom is more positively charged than in phosphonate groups. The P-O bonds belong to a transit closed-shell (or polar covalent) class, while the ester C-O bond is a covalent (or shared-shell) bond. The coordination of potassium exerts a small effect on the phosphate group, whereas more pronounced changes, e.g. concerning the ellipticities of the C-O bonds, may be observed. The profiles of Laplacians and ellipticities give more insight in the polarization of the bonds.

  8. Raman Spectra of Deuterated Potassium Dihydrogen Phosphate Crystals with Different Degrees of Deuteration

    NASA Astrophysics Data System (ADS)

    Liu, Bao-An; Zhou, Hai-Liang; Zhang, Qing-Hua; Xu, Ming-Xia; Ji, Shao-Hua; Zhu, Li-Li; Zhang, Li-Song; Liu, Fa-Fu; Sun, Xun; Xu, Xin-Guang

    2013-06-01

    The polarized Raman spectra of deuterated potassium dihydrogen phosphate crystals with different deuterium concentrations are measured. With the increasing deuterium concentration, the Raman peaks which are assigned as the internal vibrations of the (H/D)2PO-4 anion shift to lower wavenumbers. This red-shift contributes to the decrease in the bonding force of the P—O bond as a result of the substitution of deuterium for hydrogen. Moreover, the intensity of the strongest peak of these crystals decreases first, and reaches the minimum value while the mole percentage of the deuterium content in the crystal is about 74%. After that, the intensity increases with the increase of the deuterium concentration in the crystal.

  9. The effect factors of potassium dihydrogen phosphate crystallization in aqueous solution

    NASA Astrophysics Data System (ADS)

    Zhou, Cun; Sun, Fei; Liu, Xuzhao

    2017-01-01

    The effects of cooling rate and pH on the potassium dihydrogen phosphate crystallization process were studied by means of batch crystallization process. The experiment shows that with the increase of cooling rate, the metastable zone width increase and the induction period decrease. When the pH is 3.0, the metastable zone width and induction period are both the minimum, while the crystallization rate is the highest. The crystallization products were characterized by scanning election microscope. Potassium Dihydrogen Phosphate (KDP) is a kind of excellent nonlinear optical materials, and belongs to tetragonal system, and ideal shape is aggregate of tetragonal prism and tetragonal dipyramid, the (100) cone is alternating accumulation by double positive ions and double negative ions [1-4]. The crystals of aqueous solution method to grow have large electro-optical nonlinear coefficient and high loser-damaged threshold, and it is the only nonlinear optical crystal could be used in inertial confinement fusion (ICF), KDP crystals are the ideal system to study the native defects of complex oxide insulating material [5-7]. With the development of photovoltaic technology, KDP crystals growth and performance have become a research focus worldwide [8, 9]. The merits of the crystallization process directly affect the quality of KDP products, so the study of the effect of crystallization conditions has an important significance on industrial production. This paper studied the change rule of metastable zone width, induction period, crystallization rate and particle size distribution in crystal process, and discussed the technical condition of KDP crystallization.

  10. TREATMENT OF AMMONIUM NITRATE SOLUTIONS

    DOEpatents

    Boyer, T.W.; MacHutchin, J.G.; Yaffe, L.

    1958-06-10

    The treatment of waste solutions obtained in the processing of neutron- irradiated uranium containing fission products and ammonium nitrate is described. The object of this process is to provide a method whereby the ammonium nitrate is destroyed and removed from the solution so as to permit subsequent concentration of the solution.. In accordance with the process the residual nitrate solutions are treated with an excess of alkyl acid anhydride, such as acetic anhydride. Preferably, the residual nitrate solution is added to an excess of the acetic anhydride at such a rate that external heat is not required. The result of this operation is that the ammonium nitrate and acetic anhydride react to form N/sub 2/ O and acetic acid.

  11. Benzylic Ammonium Ylide Mediated Epoxidations

    PubMed Central

    Roiser, Lukas; Robiette, Raphaël; Waser, Mario

    2016-01-01

    A high yielding synthesis of stilbene oxides using ammonium ylides has been developed. It turned out that the amine leaving group plays a crucial role as trimethylamine gives higher yields than DABCO or quinuclidine. The amine group also influences the diastereoselectivity, and detailed DFT calculations to understand the key parameters of these reactions have been carried out. PMID:27766017

  12. 21 CFR 582.1139 - Ammonium hydroxide.

    Code of Federal Regulations, 2014 CFR

    2014-04-01

    ... Additives § 582.1139 Ammonium hydroxide. (a) Product. Ammonium hydroxide. (b) Conditions of use. This substance is generally recognized as safe when used in accordance with good manufacturing or feeding...

  13. 21 CFR 582.1137 - Ammonium carbonate.

    Code of Federal Regulations, 2014 CFR

    2014-04-01

    ... Additives § 582.1137 Ammonium carbonate. (a) Product. Ammonium carbonate. (b) Conditions of use. This substance is generally recognized as safe when used in accordance with good manufacturing or feeding...

  14. 21 CFR 582.1135 - Ammonium bicarbonate.

    Code of Federal Regulations, 2014 CFR

    2014-04-01

    ... Additives § 582.1135 Ammonium bicarbonate. (a) Product. Ammonium bicarbonate. (b) Conditions of use. This substance is generally recognized as safe when used in accordance with good manufacturing or feeding...

  15. 21 CFR 582.1143 - Ammonium sulfate.

    Code of Federal Regulations, 2014 CFR

    2014-04-01

    ... Additives § 582.1143 Ammonium sulfate. (a) Product. Ammonium sulfate. (b) Conditions of use. This substance is generally recognized as safe when used in accordance with good manufacturing or feeding practice. ...

  16. 76 FR 62311 - Ammonium Nitrate Security Program

    Federal Register 2010, 2011, 2012, 2013, 2014

    2011-10-07

    ... to best notify agents (AN Agents) when ammonium nitrate purchasers (AN Purchasers) submit those AN... directly to ammonium nitrate sellers (AN Sellers) when it is not possible for an AN Seller to verify the...

  17. H /D isotope effect on the dihydrogen bond of NH4+⋯BeH2 by ab initio path integral molecular dynamics simulation

    NASA Astrophysics Data System (ADS)

    Hayashi, Aiko; Shiga, Motoyuki; Tachikawa, Masanori

    2006-11-01

    In order to investigate the H /D isotope effect on a dihydrogen bonded cation system, we have studied NH4+⋯BeH2 and its isotopomers by ab initio path integral molecular dynamics. It is found that the dihydrogen bond can be exchanged by NH4+ rotation. The deuterated isotopomer (ND4+⋯BeD2; DD) can exchange the dihydrogen bond more easily than other isotopomers such as (NH4+⋯BeH2; HH). This unusual isotope effect is ascribed to the "quantum localization" which occurs when the effective energy barrier for the rotational mode becomes higher by the zero point energy of other modes. We also found that the binding energy of dihydrogen bonds for DD species is the smallest among the isotopomers.

  18. 21 CFR 582.7133 - Ammonium alginate.

    Code of Federal Regulations, 2010 CFR

    2010-04-01

    ... 21 Food and Drugs 6 2010-04-01 2010-04-01 false Ammonium alginate. 582.7133 Section 582.7133 Food and Drugs FOOD AND DRUG ADMINISTRATION, DEPARTMENT OF HEALTH AND HUMAN SERVICES (CONTINUED) ANIMAL... Ammonium alginate. (a) Product. Ammonium alginate. (b) Conditions of use. This substance is...

  19. 21 CFR 556.375 - Maduramicin ammonium.

    Code of Federal Regulations, 2014 CFR

    2014-04-01

    ... residues of maduramicin ammonium in chickens as follows: (a) A tolerance for maduramicin ammonium (marker residue) in chickens is 0.38 parts per million in fat (target tissue). A tolerance refers to the... animals. (b) The safe concentrations for total maduramicin ammonium residues in uncooked edible...

  20. 21 CFR 184.1138 - Ammonium chloride.

    Code of Federal Regulations, 2012 CFR

    2012-04-01

    .... No. 12125-02-9) is produced by the reaction of sodium chloride and an ammonium salt in solution. The less soluble sodium salt separates out at elevated temperatures, and ammonium chloride is recovered... 21 Food and Drugs 3 2012-04-01 2012-04-01 false Ammonium chloride. 184.1138 Section 184.1138...

  1. 21 CFR 184.1138 - Ammonium chloride.

    Code of Federal Regulations, 2013 CFR

    2013-04-01

    .... No. 12125-02-9) is produced by the reaction of sodium chloride and an ammonium salt in solution. The less soluble sodium salt separates out at elevated temperatures, and ammonium chloride is recovered... 21 Food and Drugs 3 2013-04-01 2013-04-01 false Ammonium chloride. 184.1138 Section 184.1138...

  2. 21 CFR 184.1138 - Ammonium chloride.

    Code of Federal Regulations, 2010 CFR

    2010-04-01

    .... No. 12125-02-9) is produced by the reaction of sodium chloride and an ammonium salt in solution. The less soluble sodium salt separates out at elevated temperatures, and ammonium chloride is recovered... 21 Food and Drugs 3 2010-04-01 2009-04-01 true Ammonium chloride. 184.1138 Section 184.1138...

  3. 21 CFR 184.1138 - Ammonium chloride.

    Code of Federal Regulations, 2011 CFR

    2011-04-01

    .... No. 12125-02-9) is produced by the reaction of sodium chloride and an ammonium salt in solution. The less soluble sodium salt separates out at elevated temperatures, and ammonium chloride is recovered... 21 Food and Drugs 3 2011-04-01 2011-04-01 false Ammonium chloride. 184.1138 Section 184.1138...

  4. 76 FR 47238 - Ammonium Nitrate From Russia

    Federal Register 2010, 2011, 2012, 2013, 2014

    2011-08-04

    ... COMMISSION Ammonium Nitrate From Russia Determination On the basis of the record \\1\\ developed in the subject... order on ammonium nitrate from Russia would be likely to lead to continuation or recurrence of material... Commission are contained in USITC Publication 4249 (August 2011), entitled Ammonium Nitrate from...

  5. 76 FR 11273 - Ammonium Nitrate From Russia

    Federal Register 2010, 2011, 2012, 2013, 2014

    2011-03-01

    ... COMMISSION Ammonium Nitrate From Russia AGENCY: United States International Trade Commission. ACTION: Institution of a five-year review concerning the suspended investigation on ammonium nitrate from Russia... investigation on ammonium nitrate from Russia would be likely to lead to continuation or recurrence of...

  6. 21 CFR 582.1135 - Ammonium bicarbonate.

    Code of Federal Regulations, 2012 CFR

    2012-04-01

    ... 21 Food and Drugs 6 2012-04-01 2012-04-01 false Ammonium bicarbonate. 582.1135 Section 582.1135 Food and Drugs FOOD AND DRUG ADMINISTRATION, DEPARTMENT OF HEALTH AND HUMAN SERVICES (CONTINUED) ANIMAL... Additives § 582.1135 Ammonium bicarbonate. (a) Product. Ammonium bicarbonate. (b) Conditions of use. This...

  7. 21 CFR 582.1135 - Ammonium bicarbonate.

    Code of Federal Regulations, 2013 CFR

    2013-04-01

    ... 21 Food and Drugs 6 2013-04-01 2013-04-01 false Ammonium bicarbonate. 582.1135 Section 582.1135 Food and Drugs FOOD AND DRUG ADMINISTRATION, DEPARTMENT OF HEALTH AND HUMAN SERVICES (CONTINUED) ANIMAL... Additives § 582.1135 Ammonium bicarbonate. (a) Product. Ammonium bicarbonate. (b) Conditions of use. This...

  8. 21 CFR 582.1135 - Ammonium bicarbonate.

    Code of Federal Regulations, 2011 CFR

    2011-04-01

    ... 21 Food and Drugs 6 2011-04-01 2011-04-01 false Ammonium bicarbonate. 582.1135 Section 582.1135 Food and Drugs FOOD AND DRUG ADMINISTRATION, DEPARTMENT OF HEALTH AND HUMAN SERVICES (CONTINUED) ANIMAL... Additives § 582.1135 Ammonium bicarbonate. (a) Product. Ammonium bicarbonate. (b) Conditions of use. This...

  9. 21 CFR 582.1135 - Ammonium bicarbonate.

    Code of Federal Regulations, 2010 CFR

    2010-04-01

    ... 21 Food and Drugs 6 2010-04-01 2010-04-01 false Ammonium bicarbonate. 582.1135 Section 582.1135 Food and Drugs FOOD AND DRUG ADMINISTRATION, DEPARTMENT OF HEALTH AND HUMAN SERVICES (CONTINUED) ANIMAL... Additives § 582.1135 Ammonium bicarbonate. (a) Product. Ammonium bicarbonate. (b) Conditions of use. This...

  10. Extraction of urea and ammonium ion

    NASA Technical Reports Server (NTRS)

    Anselmi, R. T.; Husted, R. R.; Schulz, J. R.

    1977-01-01

    Water purification system keeps urea and ammonium ion concentration below toxic limits in recirculated water of closed loop aquatic habitat. Urea is first converted to ammonium ions and carbon dioxide by enzygmatic action. Ammonium ions are removed by ion exchange. Bioburden is controlled by filtration through 0.45 micron millipore filters.

  11. 21 CFR 184.1143 - Ammonium sulfate.

    Code of Federal Regulations, 2013 CFR

    2013-04-01

    ... 21 Food and Drugs 3 2013-04-01 2013-04-01 false Ammonium sulfate. 184.1143 Section 184.1143 Food and Drugs FOOD AND DRUG ADMINISTRATION, DEPARTMENT OF HEALTH AND HUMAN SERVICES (CONTINUED) FOOD FOR... Specific Substances Affirmed as GRAS § 184.1143 Ammonium sulfate. (a) Ammonium sulfate ((NH4)2SO4, CAS...

  12. 21 CFR 582.1143 - Ammonium sulfate.

    Code of Federal Regulations, 2012 CFR

    2012-04-01

    ... 21 Food and Drugs 6 2012-04-01 2012-04-01 false Ammonium sulfate. 582.1143 Section 582.1143 Food and Drugs FOOD AND DRUG ADMINISTRATION, DEPARTMENT OF HEALTH AND HUMAN SERVICES (CONTINUED) ANIMAL... Additives § 582.1143 Ammonium sulfate. (a) Product. Ammonium sulfate. (b) Conditions of use. This...

  13. 21 CFR 582.1143 - Ammonium sulfate.

    Code of Federal Regulations, 2013 CFR

    2013-04-01

    ... 21 Food and Drugs 6 2013-04-01 2013-04-01 false Ammonium sulfate. 582.1143 Section 582.1143 Food and Drugs FOOD AND DRUG ADMINISTRATION, DEPARTMENT OF HEALTH AND HUMAN SERVICES (CONTINUED) ANIMAL... Additives § 582.1143 Ammonium sulfate. (a) Product. Ammonium sulfate. (b) Conditions of use. This...

  14. 21 CFR 184.1143 - Ammonium sulfate.

    Code of Federal Regulations, 2014 CFR

    2014-04-01

    ... 21 Food and Drugs 3 2014-04-01 2014-04-01 false Ammonium sulfate. 184.1143 Section 184.1143 Food and Drugs FOOD AND DRUG ADMINISTRATION, DEPARTMENT OF HEALTH AND HUMAN SERVICES (CONTINUED) DIRECT... GRAS § 184.1143 Ammonium sulfate. (a) Ammonium sulfate ((NH4)2SO4, CAS Reg. No. 7783-20-2)...

  15. 21 CFR 184.1143 - Ammonium sulfate.

    Code of Federal Regulations, 2011 CFR

    2011-04-01

    ... 21 Food and Drugs 3 2011-04-01 2011-04-01 false Ammonium sulfate. 184.1143 Section 184.1143 Food and Drugs FOOD AND DRUG ADMINISTRATION, DEPARTMENT OF HEALTH AND HUMAN SERVICES (CONTINUED) FOOD FOR... Specific Substances Affirmed as GRAS § 184.1143 Ammonium sulfate. (a) Ammonium sulfate ((NH4)2SO4, CAS...

  16. 21 CFR 184.1143 - Ammonium sulfate.

    Code of Federal Regulations, 2012 CFR

    2012-04-01

    ... 21 Food and Drugs 3 2012-04-01 2012-04-01 false Ammonium sulfate. 184.1143 Section 184.1143 Food and Drugs FOOD AND DRUG ADMINISTRATION, DEPARTMENT OF HEALTH AND HUMAN SERVICES (CONTINUED) FOOD FOR... Specific Substances Affirmed as GRAS § 184.1143 Ammonium sulfate. (a) Ammonium sulfate ((NH4)2SO4, CAS...

  17. 21 CFR 582.1143 - Ammonium sulfate.

    Code of Federal Regulations, 2011 CFR

    2011-04-01

    ... 21 Food and Drugs 6 2011-04-01 2011-04-01 false Ammonium sulfate. 582.1143 Section 582.1143 Food and Drugs FOOD AND DRUG ADMINISTRATION, DEPARTMENT OF HEALTH AND HUMAN SERVICES (CONTINUED) ANIMAL... Additives § 582.1143 Ammonium sulfate. (a) Product. Ammonium sulfate. (b) Conditions of use. This...

  18. 21 CFR 582.1143 - Ammonium sulfate.

    Code of Federal Regulations, 2010 CFR

    2010-04-01

    ... 21 Food and Drugs 6 2010-04-01 2010-04-01 false Ammonium sulfate. 582.1143 Section 582.1143 Food and Drugs FOOD AND DRUG ADMINISTRATION, DEPARTMENT OF HEALTH AND HUMAN SERVICES (CONTINUED) ANIMAL... Additives § 582.1143 Ammonium sulfate. (a) Product. Ammonium sulfate. (b) Conditions of use. This...

  19. Extraction of urea and ammonium ion

    NASA Technical Reports Server (NTRS)

    Anselmi, R. T.; Husted, R. R.; Schulz, J. R.

    1977-01-01

    Water purification system keeps urea and ammonium ion concentration below toxic limits in recirculated water of closed loop aquatic habitat. Urea is first converted to ammonium ions and carbon dioxide by enzygmatic action. Ammonium ions are removed by ion exchange. Bioburden is controlled by filtration through 0.45 micron millipore filters.

  20. 21 CFR 582.1141 - Ammonium phosphate.

    Code of Federal Regulations, 2013 CFR

    2013-04-01

    ... 21 Food and Drugs 6 2013-04-01 2013-04-01 false Ammonium phosphate. 582.1141 Section 582.1141 Food and Drugs FOOD AND DRUG ADMINISTRATION, DEPARTMENT OF HEALTH AND HUMAN SERVICES (CONTINUED) ANIMAL... Additives § 582.1141 Ammonium phosphate. (a) Product. Ammonium phosphate (mono- and dibasic). (b) Conditions...

  1. 21 CFR 582.1141 - Ammonium phosphate.

    Code of Federal Regulations, 2012 CFR

    2012-04-01

    ... 21 Food and Drugs 6 2012-04-01 2012-04-01 false Ammonium phosphate. 582.1141 Section 582.1141 Food and Drugs FOOD AND DRUG ADMINISTRATION, DEPARTMENT OF HEALTH AND HUMAN SERVICES (CONTINUED) ANIMAL... Additives § 582.1141 Ammonium phosphate. (a) Product. Ammonium phosphate (mono- and dibasic). (b) Conditions...

  2. 21 CFR 582.1141 - Ammonium phosphate.

    Code of Federal Regulations, 2014 CFR

    2014-04-01

    ... 21 Food and Drugs 6 2014-04-01 2014-04-01 false Ammonium phosphate. 582.1141 Section 582.1141 Food and Drugs FOOD AND DRUG ADMINISTRATION, DEPARTMENT OF HEALTH AND HUMAN SERVICES (CONTINUED) ANIMAL... Additives § 582.1141 Ammonium phosphate. (a) Product. Ammonium phosphate (mono- and dibasic). (b) Conditions...

  3. 21 CFR 582.1141 - Ammonium phosphate.

    Code of Federal Regulations, 2010 CFR

    2010-04-01

    ... 21 Food and Drugs 6 2010-04-01 2010-04-01 false Ammonium phosphate. 582.1141 Section 582.1141 Food and Drugs FOOD AND DRUG ADMINISTRATION, DEPARTMENT OF HEALTH AND HUMAN SERVICES (CONTINUED) ANIMAL... Additives § 582.1141 Ammonium phosphate. (a) Product. Ammonium phosphate (mono- and dibasic). (b) Conditions...

  4. 21 CFR 582.1141 - Ammonium phosphate.

    Code of Federal Regulations, 2011 CFR

    2011-04-01

    ... 21 Food and Drugs 6 2011-04-01 2011-04-01 false Ammonium phosphate. 582.1141 Section 582.1141 Food and Drugs FOOD AND DRUG ADMINISTRATION, DEPARTMENT OF HEALTH AND HUMAN SERVICES (CONTINUED) ANIMAL... Additives § 582.1141 Ammonium phosphate. (a) Product. Ammonium phosphate (mono- and dibasic). (b) Conditions...

  5. Effect of baking and pulsed laser irradiation on the bulk laser damage threshold of potassium dihydrogen phosphate crystals

    SciTech Connect

    Swain, J.E.; Stokowski, S.E.; Milam, D.; Kennedy, G.C.

    1982-07-01

    We increased the bulk laser damage threshold of potassium dihydrogen phosphate crystals by as much as a factor of 5 by first baking the crystals at 140 /sup 0/C for 24 h and then irradiating them with laser pulses of increasing fluence. The combination of baking and subthreshold laser irradiation was more effective in improving bulk damage thresholds than either process alone. The combined process was effective for all laser pulse durations from 1 to 20 ns.

  6. Research on the material removal in the polishing of potassium dihydrogen phosphate crystals based on deliquescent action.

    PubMed

    Guo, Shaolong; Zhang, Feihu; Zhang, Yong; Luan, Dianrong

    2014-01-01

    Through the polishing experiments of potassium dihydrogen phosphate (KDP) crystals based on deliquescent action, the effect of several major factors, including crystal's initial surface state, polishing time, and revolution of polishing plate, on material removal was researched. Under certain experimental conditions, the rules of material removal were reached, and experimental results are discussed, which lays the foundation for popularization and application of polishing technology for KDP crystals based on deliquescent action.

  7. Research on the Material Removal in the Polishing of Potassium Dihydrogen Phosphate Crystals Based on Deliquescent Action

    PubMed Central

    Guo, Shaolong; Zhang, Feihu; Zhang, Yong; Luan, Dianrong

    2014-01-01

    Through the polishing experiments of potassium dihydrogen phosphate (KDP) crystals based on deliquescent action, the effect of several major factors, including crystal's initial surface state, polishing time, and revolution of polishing plate, on material removal was researched. Under certain experimental conditions, the rules of material removal were reached, and experimental results are discussed, which lays the foundation for popularization and application of polishing technology for KDP crystals based on deliquescent action. PMID:24672399

  8. Thiolate-bridged dinuclear ruthenium and iron complexes as robust and efficient catalysts toward oxidation of molecular dihydrogen in protic solvents.

    PubMed

    Yuki, Masahiro; Sakata, Ken; Hirao, Yoshifumi; Nonoyama, Nobuaki; Nakajima, Kazunari; Nishibayashi, Yoshiaki

    2015-04-01

    Thiolate-bridged dinuclear ruthenium and iron complexes are found to work as efficient catalysts toward oxidation of molecular dihydrogen in protic solvents such as water and methanol under ambient reaction conditions. Heterolytic cleavage of the coordinated molecular dihydrogen at the dinuclear complexes and the sequential oxidation of the produced hydride complexes are involved as key steps to promote the present catalytic reaction. The catalytic activity of the dinuclear complexes toward the chemical oxidation of molecular dihydrogen achieves up to 10000 TON (turnover number), and electrooxidation of molecular dihydrogen proceeds quite rapidly. The result of the density functional theory (DFT) calculation on the reaction pathway indicates that a synergistic effect between the two ruthenium atoms plays an important role to realize the catalytic oxidation of molecular dihydrogen efficiently. The present dinuclear ruthenium complex is found to work as an efficient organometallic anode catalyst for the fuel cell. It is noteworthy that the present dinuclear complex worked not only as an effective catalyst toward chemical and electrochemical oxidation of molecular dihydrogen but also as a good anode catalyst for the fuel cell. We consider that the result described in this paper provides useful and valuable information to develop highly efficient and low-cost transition metal complexes as anode catalysts in the fuel cell.

  9. Phase diagram of ammonium nitrate

    NASA Astrophysics Data System (ADS)

    Dunuwille, M.; Yoo, C. S.

    2014-05-01

    Ammonium Nitrate (AN) has often subjected to uses in improvised explosive devices, due to its wide availability as a fertilizer and its capability of becoming explosive with slight additions of organic and inorganic compounds. Yet, the origin of enhanced energetic properties of impure AN (or AN mixtures) is neither chemically unique nor well understood -resulting in rather catastrophic disasters in the past1 and thereby a significant burden on safety in using ammonium nitrates even today. To remedy this situation, we have carried out an extensive study to investigate the phase stability of AN at high pressure and temperature, using diamond anvil cells and micro-Raman spectroscopy. The present results confirm the recently proposed phase IV-to-IV' transition above 17 GPa2 and provide new constraints for the melting and phase diagram of AN to 40 GPa and 400 °C.

  10. Comparable stability of Hoogsteen and Watson-Crick base pairs in ionic liquid choline dihydrogen phosphate.

    PubMed

    Tateishi-Karimata, Hisae; Nakano, Miki; Sugimoto, Naoki

    2014-01-08

    The instability of Hoogsteen base pairs relative to Watson-Crick base pairs has limited biological applications of triplex-forming oligonucleotides. Hydrated ionic liquids (ILs) provide favourable environments for a wide range of chemical reactions and are known to impact the stabilities of Watson-Crick base pairs. We found that DNA triplex formation was significantly stabilized in hydrated choline dihydrogen phosphate as compared with an aqueous buffer at neutral pH. Interestingly, the stability of Hoogsteen base pairs was found to be comparable with that of Watson-Crick base pairs in the hydrated IL. Molecular dynamics simulations of a DNA triplex in the presence of choline ions revealed that the DNA triplex was stabilized because of the binding of choline ion around the third strand in the grooves. Our finding will facilitate the development of new DNA materials. Our data also indicate that triplex formation may be stabilized inside cells where choline ions and their derivatives are abundant in vivo.

  11. Limits to Dihydrogen Incorporation into Electron Sinks Alternative to Methanogenesis in Ruminal Fermentation

    PubMed Central

    Ungerfeld, Emilio M.

    2015-01-01

    Research is being conducted with the objective of decreasing methane (CH4) production in the rumen, as methane emissions from ruminants are environmentally damaging and a loss of digestible energy to ruminants. Inhibiting ruminal methanogenesis generally results in accumulation of dihydrogen (H2), which is energetically inefficient and can inhibit fermentation. It would be nutritionally beneficial to incorporate accumulated H2 into propionate or butyrate production, or reductive acetogenesis. The objective of this analysis was to examine three possible physicochemical limitations to the incorporation of accumulated H2 into propionate and butyrate production, and reductive acetogenesis, in methanogenesis-inhibited ruminal batch and continuous cultures: (i) Thermodynamics; (ii) Enzyme kinetics; (iii) Substrate kinetics. Batch (N = 109) and continuous (N = 43) culture databases of experiments with at least 50% inhibition in CH4 production were used in this meta-analysis. Incorporation of accumulated H2 into propionate production and reductive acetogenesis seemed to be thermodynamically feasible but quite close to equilibrium, whereas this was less clear for butyrate. With regard to enzyme kinetics, it was speculated that hydrogenases of ruminal microorganisms may have evolved toward high-affinity and low maximal velocity to compete for traces of H2, rather than for high pressure accumulated H2. Responses so far obtained to the addition of propionate production intermediates do not allow distinguishing between thermodynamic and substrate kinetics control. PMID:26635743

  12. Dihydrogen bond intermediated alcoholysis of dimethylamine-borane in nonaqueous media.

    PubMed

    Golub, Igor E; Gulyaeva, Ekaterina S; Filippov, Oleg A; Dyadchenko, Victor P; Belkova, Natalia V; Epstein, Lina M; Arkhipov, Dmitry E; Shubina, Elena S

    2015-04-23

    Dimethylamine-borane (DMAB) acid/base properties, its dihydrogen-bonded (DHB) complexes and proton transfer reaction in nonaqueous media were investigated both experimentally (IR, UV/vis, NMR, and X-ray) and theoretically (DFT, NBO, QTAIM, and NCI). The effects of DMAB concentration, solvents polarity and temperature on the degree of DMAB self-association are shown and the enthalpy of association is determined experimentally for the first time (-ΔH°assoc = 1.5-2.3 kcal/mol). The first case of "improper" (blue-shifting) NH···F hydrogen bonds was observed in fluorobenzene and perfluorobenzene solutions. It was shown that hydrogen-bonded complexes are the intermediates of proton transfer from alcohols and phenols to DMAB. The reaction mechanism was examined computationally taking into account the coordinating properties of the reaction media. The values of the rate constants of proton transfer from HFIP to DMAB in acetone were determined experimentally [(7.9 ± 0.1) × 10(-4) to (1.6 ± 0.1) × 10(-3) mol(-1)·s(-1)] at 270-310 K. Computed activation barrier of this reaction ΔG(‡theor)298 K(acetone) = 23.8 kcal/mol is in good agreement with the experimental value of the activation free energy ΔG(‡exp)270 K = 21.1 kcal/mol.

  13. H{sub 2}—AgCl: A spectroscopic study of a dihydrogen complex

    SciTech Connect

    Grubbs, G. S.; Obenchain, Daniel A.; Pickett, Herbert M.; Novick, Stewart E.

    2014-09-21

    H{sub 2}—AgCl has been observed on a Fourier transform microwave spectrometer equipped with laser ablation source and determined to be a dihydrogen complex. Transitions up to J = 3–2 have been measured and analyzed for four isotopologues of the complex containing ortho and para H{sub 2}. The ortho and para spin states have been included in one fit, a deviation from the typical H{sub 2} complex. Rotational constants B and C, centrifugal distortion constants Δ{sub J} and Δ{sub JK}, nuclear electric quadrupole coupling constants χ{sub aa}, χ{sub bb}, and χ{sub cc} for {sup 35}Cl and {sup 37}Cl have been fit for both spin states while nuclear spin-nuclear spin constants D{sub aa}, D{sub bb}, and D{sub cc}, and nuclear spin-rotation constant C{sub aa} have been reported for the ortho spin state. Quantum chemical calculations predict a strong bonding interaction and the strength of the complex has been related to reported χ{sub aa} and Δ{sub J} values amongst a host of comparable species, including the AgCl monomer itself. Bond lengths have been determined for Ag—Cl, Ag—H{sub 2} center-of-mass, and H—H and are reported.

  14. Dihydrogen bonding vs metal-σ interaction in complexes between H2 and metal hydride.

    PubMed

    Alkorta, Ibon; Elguero, Jose; Solimannejad, Mohammad; Grabowski, Sławomir J

    2011-01-20

    The complexes formed by hydrogen with metal hydrides (LiH, NaH, BeH(2), MgH(2), BH(3), AlH(3), Li(2)H(2), Na(2)H(2), Be(2)H(4), and Mg(2)H(4)) have been theoretically studied at the MP2/aug-cc-pVTZ, MP2/aug-cc-pVQZ and CCSD(T)/aug-cc-pVTZ//CCSD/aug-cc-pVTZ levels of theory. The hydrogen molecule can act as a Lewis acid or base. In the first case, a dihydrogen bonded complex is obtained and in the second an interaction between the σ-bond of the hydrogen molecule and an empty orbital of the metal atoms is found. Quantum theory of atoms in molecules and natural bond orbitals methods have been applied to analyze the intermolecular interactions. Additionally, the cooperativity effects are analyzed for selected complexes with two H(2) molecules where both kinds of interactions exist simultaneously.

  15. H2—AgCl: A spectroscopic study of a dihydrogen complex

    NASA Astrophysics Data System (ADS)

    Grubbs, G. S.; Obenchain, Daniel A.; Pickett, Herbert M.; Novick, Stewart E.

    2014-09-01

    H2—AgCl has been observed on a Fourier transform microwave spectrometer equipped with laser ablation source and determined to be a dihydrogen complex. Transitions up to J = 3-2 have been measured and analyzed for four isotopologues of the complex containing ortho and para H2. The ortho and para spin states have been included in one fit, a deviation from the typical H2 complex. Rotational constants B and C, centrifugal distortion constants ΔJ and ΔJK, nuclear electric quadrupole coupling constants χaa, χbb, and χcc for 35Cl and 37Cl have been fit for both spin states while nuclear spin-nuclear spin constants Daa, Dbb, and Dcc, and nuclear spin-rotation constant Caa have been reported for the ortho spin state. Quantum chemical calculations predict a strong bonding interaction and the strength of the complex has been related to reported χaa and ΔJ values amongst a host of comparable species, including the AgCl monomer itself. Bond lengths have been determined for Ag—Cl, Ag—H2 center-of-mass, and H—H and are reported.

  16. Structure and function of proteins in hydrated choline dihydrogen phosphate ionic liquid.

    PubMed

    Weaver, Katherine D; Vrikkis, Regina M; Van Vorst, Matthew P; Trullinger, Jonathan; Vijayaraghavan, Ranganathan; Foureau, David M; McKillop, Iain H; MacFarlane, Douglas R; Krueger, Joanna K; Elliott, Gloria D

    2012-01-14

    Ionic liquids are being intensely studied as promising media for the stabilization of proteins and other biomolecules. Choline dihydrogen phosphate (CDHP) has been identified as one of the most promising candidates for this application. In this work we have probed in more detail the effects that CDHP may have on the thermodynamics, structure, and stability of proteins, including one of therapeutic interest. Microcalorimetry and circular dichroism spectropolarimetry (CD) were used to assess the thermal stability of protein solutions in CDHP/water mixtures at various concentrations. Increasing thermal stability of lysozyme and interleukin-2 in proportion to CDHP concentration was observed. Isothermal titration calorimetry (ITC) was used to quantify binding interactions, and indicate that the mechanism for stability does not appear to be dependent upon CDHP binding to protein. CD and small angle X-ray scattering (SAXS) analyses were used to probe for structural changes due to the presence of CDHP. SAXS indicates charge effects on the surface of the protein play a role in protein stability in ionic liquids, and no significant alteration of the overall tertiary conformation of lysozyme was observed at 25 °C. However, after incubation at 37 °C or at higher concentrations of CDHP, small changes in protein structure were seen. Effects on protein activity were monitored using turbidity assays, and CDHP decreases protein activity but does not eliminate it. Protein solubility was also monitored using a turbidity assay and was found to be inversely proportional to the concentration of CDHP in solution.

  17. Adsorption behavior of methacryloyloxydecyl dihydrogen phosphate on an apatite surface at neutral pH.

    PubMed

    Bista, Baba; Nakashima, Syozi; Nikaido, Toru; Sadr, Alireza; Takagaki, Tomohiro; Romero, Maria J R H; Sato, Takaaki; Tagami, Junji

    2016-04-01

    This study aimed to quantify the adsorption affinity of neutralized 10-methacryloyloxydecyl dihydrogen phosphate (10-MDP-N) toward hydroxyapatite (HA) and dicalcium phosphate dihydrate (DCPD) at pH 7.0 by employing the Langmuir isotherm model. Furthermore, the effects of inorganic phosphate (Pi) and fluoride (F(-) ) ions on the adsorption of 10-MDP-N onto HA and DCPD were examined. Fixed amounts of HA and DCPD powders were suspended in different concentrations of 10-MDP-N solutions and were incubated for 18 h. Equilibrated concentrations of 10-MDP-N were measured by spectrophotometry and the adsorption affinity was estimated using the Langmuir model. Moreover, the adsorption was examined by zeta-potential analysis. The results indicated that significant Langmuir correlation was noted in both substrates, along with an increasing negative zeta-potential; however, in DCPD the correlation was less strong. The addition of 1.0 mM Pi slightly delayed the adsorption of 10-MDP-N onto both substrates, whereas 3.0 mM Pi drastically delayed adsorption onto HA but completely inhibited adsorption onto DCPD. Up to 50 ppm, F(-) enhanced the adsorption onto HA, and the adsorption plateaued at higher concentrations of F(-) , whereas no obvious influence of F(-) on the adsorption onto DCPD was noted.

  18. The Evaluation and Quantitation of Dihydrogen Metabolism Using Deuterium Isotope in Rats

    PubMed Central

    Hyspler, Radomir; Ticha, Alena; Schierbeek, Henk; Galkin, Alexander; Zadak, Zdenek

    2015-01-01

    Purpose Despite the significant interest in molecular hydrogen as an antioxidant in the last eight years, its quantitative metabolic parameters in vivo are still lacking, as is an appropriate method for determination of hydrogen effectivity in the mammalian organism under various conditions. Basic Procedures Intraperitoneally-applied deuterium gas was used as a metabolic tracer and deuterium enrichment was determined in the body water pool. Also, in vitro experiments were performed using bovine heart submitochondrial particles to evaluate superoxide formation in Complex I of the respiratory chain. Main Findings A significant oxidation of about 10% of the applied dose was found under physiological conditions in rats, proving its antioxidant properties. Hypoxia or endotoxin application did not exert any effect, whilst pure oxygen inhalation reduced deuterium oxidation. During in vitro experiments, a significant reduction of superoxide formation by Complex I of the respiratory chain was found under the influence of hydrogen. The possible molecular mechanisms of the beneficial effects of hydrogen are discussed, with an emphasis on the role of iron sulphur clusters in reactive oxygen species generation and on iron species-dihydrogen interaction. Principal Conclusions According to our findings, hydrogen may be an efficient, non-toxic, highly bioavailable and low-cost antioxidant supplement for patients with pathological conditions involving ROS-induced oxidative stress. PMID:26103048

  19. The Evaluation and Quantitation of Dihydrogen Metabolism Using Deuterium Isotope in Rats.

    PubMed

    Hyspler, Radomir; Ticha, Alena; Schierbeek, Henk; Galkin, Alexander; Zadak, Zdenek

    2015-01-01

    Despite the significant interest in molecular hydrogen as an antioxidant in the last eight years, its quantitative metabolic parameters in vivo are still lacking, as is an appropriate method for determination of hydrogen effectivity in the mammalian organism under various conditions. Intraperitoneally-applied deuterium gas was used as a metabolic tracer and deuterium enrichment was determined in the body water pool. Also, in vitro experiments were performed using bovine heart submitochondrial particles to evaluate superoxide formation in Complex I of the respiratory chain. A significant oxidation of about 10% of the applied dose was found under physiological conditions in rats, proving its antioxidant properties. Hypoxia or endotoxin application did not exert any effect, whilst pure oxygen inhalation reduced deuterium oxidation. During in vitro experiments, a significant reduction of superoxide formation by Complex I of the respiratory chain was found under the influence of hydrogen. The possible molecular mechanisms of the beneficial effects of hydrogen are discussed, with an emphasis on the role of iron sulphur clusters in reactive oxygen species generation and on iron species-dihydrogen interaction. According to our findings, hydrogen may be an efficient, non-toxic, highly bioavailable and low-cost antioxidant supplement for patients with pathological conditions involving ROS-induced oxidative stress.

  20. Optical and environmentally protective coatings for potassium dihydrogen phosphate (KDP) harmonic converter crystals

    SciTech Connect

    Thomas, I.M.

    1991-06-24

    Potassium dihydrogen phosphate (KDP) crystals have been used as harmonic converters on the Nova laser at LLNL for over six years. All crystals were coated with a single layer, quarterwave AR coating of porous silica with a refractive index of 1.22. This was prepared by a sol-gel process and was applied from a colloidal suspension by spin coating at room temperature. A few crystals were also coated with a methyl silicone coating prior to the application of the AR coating for environmental protection. The initial optical performance of all crystals was very good but there has been some deterioration over the years because of environmental and laser damage degradation. The deterioration in the silicone samples was, however, much less than the others. We are now in the process of replacing all ten KDP arrays with new crystals and will apply the silicone undercoat to all samples. Recently we have been evaluating a new perfluorinated organic polymer coating which has a refractive index of 1.29. This material is soluble in fluorinated solvents and can be applied by dip coating from solution at room temperature. We hope that this can provide environmental protection when applied to KDP and also act as an AR coating at the same time. The optical performance is not as good as our porous silica because of the higher index; about 0.3% reflection per surface is obtained. 4 refs., 10 figs., 1 tab.

  1. Dihydrogen intermolecular contacts in group 13 compounds: HH or EH (E = B, Al, Ga) interactions?

    PubMed

    Echeverría, Jorge; Aullón, Gabriel; Alvarez, Santiago

    2017-02-28

    A systematic theoretical analysis of homopolar dihydrogen interactions in group 13 compounds is presented here. Ab initio calculations and structural analysis allow us to demonstrate that interactions involving B-HH-B contacts are comparable in strength to the previously studied C-HH-C ones, yet attractive and important for the stabilization of dimers of large molecules. We have also shown that a polyhedral skeleton enhances the B-HH-B interaction strength with respect to non-polyhedral compounds, and it has also been proven that Al-HH-Al and Ga-HH-Ga interactions can be attractive in some cases. If HE (B, Al and Ga) short contacts are present, the interaction is significantly strengthened, especially for Al and Ga. In general, HH interactions combined with associated HE (B, Al and Ga) short contacts are responsible for the stability of a large number of dimers of group 13 compounds and may play an important role in the packing of their crystal structures.

  2. Research on subsurface defects of potassium dihydrogen phosphate crystals fabricated by single point diamond turning technique

    NASA Astrophysics Data System (ADS)

    Tie, Guipeng; Dai, Yifan; Guan, Chaoliang; Chen, Shaoshan; Song, Bing

    2013-03-01

    Potassium dihydrogen phosphate (KDP) crystals, which are widely used in high-power laser systems, are required to be free of defects on fabricated subsurfaces. The depth of subsurface defects (SSD) of KDP crystals is significantly influenced by the parameters used in the single point diamond turning technique. In this paper, based on the deliquescent magnetorheological finishing technique, the SSD of KDP crystals is observed and the depths under various cutting parameters are detected and discussed. The results indicate that no SSD is generated under small parameters and with the increase of cutting parameters, SSD appears and the depth rises almost linearly. Although the ascending trends of SSD depths caused by cutting depth and feed rate are much alike, the two parameters make different contributions. Taking the same material removal efficiency as a criterion, a large cutting depth generates shallower SSD depth than a large feed rate. Based on the experiment results, an optimized cutting procedure is obtained to generate defect-free surfaces.

  3. Comparable Stability of Hoogsteen and Watson–Crick Base Pairs in Ionic Liquid Choline Dihydrogen Phosphate

    PubMed Central

    Tateishi-Karimata, Hisae; Nakano, Miki; Sugimoto, Naoki

    2014-01-01

    The instability of Hoogsteen base pairs relative to Watson–Crick base pairs has limited biological applications of triplex-forming oligonucleotides. Hydrated ionic liquids (ILs) provide favourable environments for a wide range of chemical reactions and are known to impact the stabilities of Watson–Crick base pairs. We found that DNA triplex formation was significantly stabilized in hydrated choline dihydrogen phosphate as compared with an aqueous buffer at neutral pH. Interestingly, the stability of Hoogsteen base pairs was found to be comparable with that of Watson–Crick base pairs in the hydrated IL. Molecular dynamics simulations of a DNA triplex in the presence of choline ions revealed that the DNA triplex was stabilized because of the binding of choline ion around the third strand in the grooves. Our finding will facilitate the development of new DNA materials. Our data also indicate that triplex formation may be stabilized inside cells where choline ions and their derivatives are abundant in vivo. PMID:24399194

  4. Molybdenum Trihydride Complexes: Computational Model of Oxidatively Induced Reductive Elimination of Dihydrogen.

    PubMed

    Szatkowski, Lukasz; Hall, Michael B

    2017-08-21

    Recent experimental work shows that the 18-electron molybdenum complexes (1,2,4-C5H2tBu3)Mo(PMe3)2H3 (Cp(tBu)MoH3) and (C5HiPr4)Mo(PMe3)2H3 (Cp(iPr)MoH3) undergo oxidatively induced reductive elimination of dihydrogen (H2), slowly forming the 15-electron monohydride species in tetrahydrofuran and acetonitrile. The 17-electron [Cp(tBu)MoH3](+) derivative was stable enough to be characterized by X-ray diffraction, while [Cp(iPr)MoH3](+) was not. Density functional theory calculations of the H2 elimination pathways for both complexes in the gas phase and in a continuum solvent model indicate that H2 elimination from [Cp(iPr)MoH3](+) has a lower barrier than that from [Cp(tBu)MoH3](+). Further, a specific solvent association, which is stronger for [Cp(tBu)MoH3](+) than for [Cp(iPr)MoH3](+), contributes to the stability of the former. In agreement with the experimental observations, the calculations predict that [Cp(tBu)MoH3](+) would be in a quartet state at room temperature and a doublet state at 4.2 K, while [Cp(iPr)MoH3](+) is in a doublet state even at room temperature.

  5. Synthesis, vibrational and quantum chemical investigations of hydrogen bonded complex betaine dihydrogen selenite

    NASA Astrophysics Data System (ADS)

    Arjunan, V.; Marchewka, Mariusz K.; Kalaivani, M.

    2012-10-01

    The molecular complex of betaine with selenious acid namely, betaine dihydrogen selenite (C5H13NO5Se, BDHSe) was synthesised by the reaction of betaine and SeO2 in a 1:1:1 solution of isopropanol, methanol and water. Crystals were grown from this solution by cooling to 253 K for few days. The complex was formed without accompanying proton transfer from selenious acid molecule to betaine. The complete vibrational assignments and analysis of BDHSe have been performed by FTIR, FT-Raman and far-infrared spectral studies. More support on the experimental findings was added from the quantum chemical studies performed with DFT (B3LYP) method using 6-311++G∗∗, 6-31G∗∗, cc-pVDZ and 3-21G basis sets. The structural parameters, energies, thermodynamic parameters and the NBO charges of BDHSe were determined by the DFT method. The 1H and 13C isotropic chemical shifts (δ ppm) of BDHSe with respect to TMS were also calculated using the gauge independent atomic orbital (GIAO) method and compared with the experimental data. SHG experiment was carried out using Kurtz-Perry powder technique. The efficiency of second harmonic generation for BDHSe was estimated relatively to KDP: deff = 0.97 deff (KDP).

  6. Nanomodified vermiculite NMV - a new material for recycling ammonium nitrogen

    NASA Astrophysics Data System (ADS)

    Rama, Miradije; Laiho, Taina; Eklund, Olav; Lehto, Kirsi; Shebanov, Alex; Smått, Jan-Henrik

    2016-04-01

    Vermiculites ((Mg,Fe,Al)3(Al,Si)4O10(OH)24H2O) are naturally occurring minerals from hydromica group with a high cation exchange capacity and large surface area. Since vermiculite is a hydrated mineral, its structure can be changed with heat. In this study vermiculite samples were heated in an oven until the interlayer distance of them diminished from 14 Å to 11.7 Å. This method for improving vermiculites intake of ammonium ions by heating, is an invention made at the University of Turku. Nanomodified vermiculite (NMV) is able to absorb up to 4.7 wt% of ammonium. NMV can be used as an efficient filter and immobilizer of ammonium in different environments. NMV has been efficiently tested on waste water from a biogas plant, human urine, combustion experiments, industrial chimneys, excrements from farms etc. Ammonium doped vermiculite (ADV) is further developed for fertilizer use. Performed experiments have testified the usability of ADV as a fertilizer. At first step the NMV was processed with the reject water from a biogas plant, were it absorbed NH4+ into the lattice. At second, the ADV was used as nutrient source for garden plants. Geraniums and begonias were used as test plants of the work. Plant growth rate was evaluated based on plant weight. Results showed that significant increase of the growth of geraniums and of begonias were observed when comparing to those cultivations where plants have got normal fertilization. Moreover, ADV has been tested as a fertilizer in greenhouse experiments with spruces and pines. After five months, the weight of the plants that had grown in a substrate containing ADV was 10 times the weight of plants growing in the reference substrate.

  7. Growth and characterization of ADP single crystals doped with alkali and alkaline metal ions

    NASA Astrophysics Data System (ADS)

    Kavya, H.; Bhavyashree, M.; Kumari, R. Ananda

    2016-05-01

    Pure and KBr, KI, MgCl2 & LiCl added ammonium dihydrogen orthophosphate (ADP) single crystals have been grown at room temperature by the slow evaporation method. The grown crystals have been subjected to powder XRD, FTIR, UV-Vis, and SHG studies. The crystallinity and the functional groups are confirmed by powder XRD and FTIR spectroscopy. Good transparency in the entire visible region which is an essential requirement for a nonlinear optical crystal is observed for the grown crystals. Results of the non-linear optical measurements indicate the enhancement of second harmonic generation efficiency due to the dopants and show the suitability of the ingot for nonlinear optical application

  8. Temperature and Solvent Dependent Binding of Dihydrogen in Iridium Pincer Complexes

    PubMed Central

    Göttker-Schnetmann, Inigo; Heinekey, D. Michael; Brookhart, Maurice

    2008-01-01

    Mixtures of deuterium labeled complexes (p-XPOCOP)IrH2–xDx (1–6-d0–2) {POCOP = [C6H2-1,3-[OP(tBu)2]2; X = MeO (1), Me (2), H (3), F (4), C6F5 (5), and ArF = 3,5-(CF3)2-C6H3 (6)} have been generated by reaction of (p-XPOCOP)IrH2 complexes with HD gas in benzene followed by removal of the solvent under high vacuum. Spectroscopic analysis employing 1H and 2D NMR reveals significant temperature and solvent dependent isotopic shifts and HD coupling constants. Complexes 1–6-d1 in toluene and pentane between 296 K and 213 K exhibit coupling constants JHD of 3.8–9.0 Hz, suggesting the presence of an elongated H2 ligand, which is confirmed by T1(min) measurements of complexes 1, 3 and 6 in toluene-d8. In contrast, complex 6-d1 exhibits JHD = 0 Hz in CH2Cl2 or CDCl2F while isotopic shifts up to −4.05 ppm have been observed by lowering the temperature from 233 K to 133 K in CDCl2F. The large and temperature dependent isotope effects are attributed to non-statistical occupation of two different hydride environments. The experimental observations are interpreted in terms of a two component model involving rapid equilibration of solvated Ir(III) dihydride and Ir(I) dihydrogen structures. PMID:17177464

  9. Role of Ligand Protonation in Dihydrogen Evolution from a Pentamethylcyclopentadienyl Rhodium Catalyst.

    PubMed

    Johnson, Samantha I; Gray, Harry B; Blakemore, James D; Goddard, William A

    2017-09-01

    Recent work has shown that Cp*Rh(bpy) [Cp* = pentamethylcyclopentadienyl, bpy = 2,2'- bipyridine] undergoes endo protonation at the [Cp*] ligand in the presence of weak acid (Et3NH(+); pKa = 18.8 in MeCN). Upon exposure to stronger acid (e.g., DMFH(+); pKa = 6.1), hydrogen is evolved with unity yield. Here, we study the mechanisms by which this catalyst evolves dihydrogen using density functional theory (M06) with polarizable continuum solvation. The calculations show that the complex can be protonated by weak acid first at the metal center with a barrier of 3.2 kcal/mol; this proton then migrates to the ring to form the detected intermediate, a rhodium(I) compound bearing endo η(4)-Cp*H. Stronger acid is required to evolve hydrogen, which calculations show happens via a concerted mechanism. The acid approaches and protonates the metal, while the second proton simultaneously migrates from the ring with a barrier of ∼12 kcal/mol. Under strongly acidic conditions, we find that hydrogen evolution can proceed through a traditional metal-hydride species; protonation of the initial hydride to form an H-H bond occurs before migration of the hydride (in the form of a proton) to the [Cp*] ring (i.e., H-H bond formation is faster than hydride-proton tautomerization). This work demonstrates the role of acid strength in accessing different mechanisms of hydrogen evolution. Calculations also predict that modification of the bpy ligand by a variety of functional groups does not affect the preference for [Cp*] protonation, although the driving force for protonation changes. However, we predict that exchange of bpy for a bidentate phosphine ligand will stabilize a rhodium(III) hydride, reversing the preference for bound [Cp*H] found in all computed bpy derivatives and offering an appealing alternative ligand platform for future experimental and computational mechanistic studies of H2 evolution.

  10. Acute intravenous infusion of disodium dihydrogen (1-hydroxyethylidene)diphosphonate: mechanism of toxicity.

    PubMed

    Francis, M D; Slough, C L

    1984-08-01

    The acute intravenous toxicity of disodium dihydrogen (1-hydroxyethylidene)diphosphonate (etidronate disodium; I) and the mechanism of this toxic response have been investigated in 40 beagle dogs. The intravenous toxicity of I is dependent on the total dose administered and the length of the infusion interval. The toxicity of I is directly related to the ability of the drug to bind or complex with the circulating calcium in the blood. Maximum depressions in ionized calcium coincide in time with peak blood levels of I, and at lethal doses electrocardiographic changes indicative of hypocalcemia are observed. For a 2-min infusion of 2 mg of I/kg, no effect is observed on ionized calcium levels, and the electrocardiogram remains normal. At doses of 16 and 32 mg/kg, coincident with an immediate fall in ionized calcium levels, there is a transient rise in total calcium and a fall in phosphorus levels. The ionized calcium level rises, and total calcium level falls and stabilizes at baseline levels within 30 min after the infusion. However, the phosphorus level rises and exceeds the baseline value, reaching 3-4 times normal by 72 h after the infusion. With proven lethal doses of I (60 mg/kg infused over 2 min) and the simultaneous infusion of an ionized calcium salt such as calcium gluconate (20 mg of Ca2+/kg), electrocardiograms remain normal and death is prevented. Thus, an effective antidote in the event of an overdose or too rapid an infusion of I can be employed to prevent acute toxic effects.

  11. Photochemical dihydrogen production using an analogue of the active site of [NiFe] hydrogenase.

    PubMed

    Summers, Peter A; Dawson, Joe; Ghiotto, Fabio; Hanson-Heine, Magnus W D; Vuong, Khuong Q; Davies, E Stephen; Sun, Xue-Z; Besley, Nicholas A; McMaster, Jonathan; George, Michael W; Schröder, Martin

    2014-05-05

    Photoproduction of dihydrogen (H2) by a low molecular weight analogue of the active site of [NiFe] hydrogenase has been investigated by reduction of the [NiFe2] cluster, 1, by a photosensitier PS (PS = [ReCl(CO)3(bpy)] or [Ru(bpy)3][PF6]2). Reductive quenching of the (3)MLCT excited state of the photosensitizer by NEt3 or N(CH2CH2OH)3 (TEOA) generates PS(•-), and subsequent intermolecular electron transfer to 1 produces the reduced anionic form of 1. Time-resolved infrared spectroscopy (TRIR) has been used to probe the intermediates throughout the reduction of 1 and subsequent photocatalytic H2 production from [HTEOA][BF4], which was monitored by gas chromatography. Two structural isomers of the reduced form of 1 (1a(•-) and 1b(•-)) were detected by Fourier transform infrared spectroscopy (FTIR) in both CH3CN and DMF (dimethylformamide), while only 1a(•-) was detected in CH2Cl2. Structures for these intermediates are proposed from the results of density functional theory calculations and FTIR spectroscopy. 1a(•-) is assigned to a similar structure to 1 with six terminal carbonyl ligands, while calculations suggest that in 1b(•-) two of the carbonyl groups bridge the Fe centers, consistent with the peak observed at 1714 cm(-1) in the FTIR spectrum for 1b(•-) in CH3CN, assigned to a ν(CO) stretching vibration. Formation of 1a(•-) and 1b(•-) and production of H2 was studied in CH3CN, DMF, and CH2Cl2. Although the more catalytically active species (1a(•-) or 1b(•-)) could not be determined, photocatalysis was observed only in CH3CN and DMF.

  12. Isolation and stable nitrogen isotope analysis of ammonium ions in ammonium nitrate prills using sodium tetraphenylborate.

    PubMed

    Howa, John D; Lott, Michael J; Ehleringer, James R

    2014-07-15

    Because of the threat of bombings using improvised explosives containing ammonium nitrate (AN), law enforcement and intelligence communities have been interested in stable isotope techniques for tracking and discriminating AN sources. Separate analysis of the AN component ions ammonium and nitrate would add discriminatory power to these techniques. Ammonium ions in dissolved AN solution were isolated from samples by precipitation using sodium tetraphenylborate solution. We tested the isolation of ammonium from nitrates using solutions of ammonium and nitrate salts with different (15)N/(14)N isotope ratios. Ammonium tetraphenylborate and AN were separately analyzed for their (15)N/(14)N isotope ratios using EA-ConFlo-IRMS, and the (15)N/(14)N isotope ratios of the nitrate ions were calculated using mass balance. Ammonium and nitrate nitrogen isotope ratios were plotted as two separate variables. Isolation of ammonium precipitate from solutions containing dissolved nitrates did not influence the nitrogen isotope ratios of test ammonium salts. A survey set of 42 AN samples showed that the ammonium and nitrate (15)N/(14)N isotope ratios were not significantly correlated, and the paired mean differences were not statistically significant. Both ammonium and nitrate were depleted in (15)N relative to their theoretical atmospheric sources. Isolation of the ammonium ion from AN adds another dimension for the discrimination of forensic AN samples. This technique using sodium tetraphenylborate is robust and does not require specialized equipment. Our observations indicated that ammonium nitrogen and nitrate nitrogen have independent sources of isotopic variation. Copyright © 2014 John Wiley & Sons, Ltd.

  13. Structural study of ammonium metatungstate

    SciTech Connect

    Christian, Joel B. Whittingham, M. Stanley

    2008-08-15

    Several techniques have been used to study the structure of the Keggin-type polyoxometalate salt ammonium metatungstate (AMT)-(NH{sub 4}){sub 6}[H{sub 2}W{sub 12}O{sub 40}]*nH{sub 2}O, a potential fuel cell catalyst. The dehydrated salt is comprised of a mixture of crystallites of different unit cells in a centered eutactic cubic configuration, with an average unit cell of a{approx_equal}12.295. Varied orientations of the Keggin ions in the cubic arrangement create the differences, and orientational variation within each unit cell size represents an energy well. Progressive hydration of each crystallite leads to expansion of the lattice, with the degree of expansion depending on the locations of the water added in relation to the Keggin ion, which is influenced by cation location and hydrogen bonding. The structural hypothesis is supported by electron diffraction of single and multicrystal samples, by powder density measurements, X-ray powder diffraction studies, synchrotron powder X-ray diffraction, and a priori structural modeling studies. Based on the structure, projected active site densities are compared with nanostructured platinum catalysts for fuel cell application. - Graphical abstract: The structure of ammonium metatungstate powders are highly dependent on hydration and POM molecule rotation, with cation and hydrogen bonding forces directing a mixture of structures that have been studied with bulk and single-crystal methods. The illustration shows Monte Carlo simulated anion structural disorder for the fully dehydrated form of the title compound.

  14. Phase Diagram of Ammonium Nitrate

    NASA Astrophysics Data System (ADS)

    Dunuwille, Mihindra; Yoo, Choong-Shik

    2013-06-01

    Ammonium Nitrate (AN) has often been subjected to uses in improvised explosive devices, due to its wide availability as a fertilizer and its capability of becoming explosive with slight additions of organic and inorganic compounds. Yet, the origin of enhanced energetic properties of impure AN (or AN mixtures) is neither chemically unique nor well understood - resulting in rather catastrophic disasters in the past1 and thereby a significant burden on safety, in using ammonium nitrates even today. To remedy this situation, we have carried out an extensive study to investigate the phase stability of AN, in different chemical environments, at high pressure and temperature, using diamond anvil cells and micro-Raman spectroscopy. The present results confirm the recently proposed phase IV-to-IV' transition above 15 GPa2 and provide new constraints for the melting and phase diagram of AN to 40 GPa and 673 K. The present study has been supported by the U.S. DHS under Award Number 2008-ST-061-ED0001.

  15. Hydride transfer and dihydrogen elimination from osmium and ruthenium metalloporphyrin hydrides: Model processes for hydrogenase enzymes and the hydrogen electrode reaction

    SciTech Connect

    Collman, J.P.; Wagenknecht, P.S.; Lewis, N.S.

    1992-07-01

    A series of metalloporphyrin hydride complexes of the type K[M(Por)(L)(H)] (M - Ru, Os; Por - OEP, TMP; L = THF, *Im, PPh{sub 3}, pyridine) has been synthesized by stoichiometric protonation of the corresponding K{sub 2}[M(Por)], followed by addition of L. The addition of excess acids to these hydrides resulted in the elimination of dihydrogen. The kinetics showed no evidence for a bimolecular mechanism for this process and suggest simple protonation of the metal-hydride bond followed by dihydrogen loss. One-electron oxidation of the metal hydrides also resulted in dihydrogen formation. The kinetics of the oxidatively induced hydrogen evolution step from K[Ru(OEP)(THF)(H)] were examined and indicate a biomolecular mechanism in which two metal hydrides reductively eliminate one dihydrogen molecule. The rate constant was determined to be 88 {+-} 14 M{sup -1} s{sup -1}. These reaction mechanisms are discussed in the context of designing bimetallic proton reduction catalysts. The metal hydride K[Ru(OEP)(THF)(H)], was also synthesized by heterolytic activation of H{sub 2}. This hydride is a good one-electron reductant (-1.15 V vs FeCp{sub 2}) and is capable of reducing, by hydride transfer, the NAD{sup +} analogue, 1-benzyl-N,N-diethyl-nicotinamide. This nicotinamide reduction by a hydride formed from heterolytic dihydrogen activation is suggested as the mechanism for hydrogenase enzymes. 38 refs., 4 figs., 3 tabs.

  16. Theoretical investigation of the dihydrogen bond linking MH2 with HCCRgF (M = Zn, Cd; Rg = Ar, Kr).

    PubMed

    Solimannejad, Mohammad; Scheiner, Steve

    2005-12-29

    An ab initio computational study of the properties of four linear dihydrogen-bonded complexes pairing MH2 (M = Zn, Cd) with HCCRgF (Rg = Ar, Kr) was undertaken at the MP2/DGDZVP level of theory. The calculated complexation energies of the linear complexes vary between 6.5 kJ/mol for M = Zn to 8.5 kJ/mol for M = Cd. Equilibrium interatomic H...H distances are roughly 2.07 A for all four complexes. The red shifts of the H-C stretching frequency of HCCRgF correlate nicely with the interaction energies.

  17. 49 CFR 176.410 - Division 1.5 materials, ammonium nitrate and ammonium nitrate mixtures.

    Code of Federal Regulations, 2012 CFR

    2012-10-01

    ... 49 Transportation 2 2012-10-01 2012-10-01 false Division 1.5 materials, ammonium nitrate and ammonium nitrate mixtures. 176.410 Section 176.410 Transportation Other Regulations Relating to... nitrate and ammonium nitrate mixtures. (a) This section prescribes requirements to be observed...

  18. 49 CFR 176.410 - Division 1.5 materials, ammonium nitrate and ammonium nitrate mixtures.

    Code of Federal Regulations, 2011 CFR

    2011-10-01

    ... 49 Transportation 2 2011-10-01 2011-10-01 false Division 1.5 materials, ammonium nitrate and ammonium nitrate mixtures. 176.410 Section 176.410 Transportation Other Regulations Relating to... nitrate and ammonium nitrate mixtures. (a) This section prescribes requirements to be observed...

  19. 49 CFR 176.410 - Division 1.5 materials, ammonium nitrate and ammonium nitrate mixtures.

    Code of Federal Regulations, 2010 CFR

    2010-10-01

    ... 49 Transportation 2 2010-10-01 2010-10-01 false Division 1.5 materials, ammonium nitrate and ammonium nitrate mixtures. 176.410 Section 176.410 Transportation Other Regulations Relating to... nitrate and ammonium nitrate mixtures. (a) This section prescribes requirements to be observed...

  20. 33 CFR 126.28 - Ammonium nitrate, ammonium nitrate fertilizers, fertilizer mixtures, or nitro carbo nitrate...

    Code of Federal Regulations, 2012 CFR

    2012-07-01

    ... nitrate fertilizers, fertilizer mixtures, or nitro carbo nitrate; general provisions. 126.28 Section 126..., ammonium nitrate fertilizers, fertilizer mixtures, or nitro carbo nitrate; general provisions. (a) When any item of ammonium nitrate, ammonium nitrate fertilizers, fertilizer mixtures, or nitro carbo...

  1. 33 CFR 126.28 - Ammonium nitrate, ammonium nitrate fertilizers, fertilizer mixtures, or nitro carbo nitrate...

    Code of Federal Regulations, 2011 CFR

    2011-07-01

    ... nitrate fertilizers, fertilizer mixtures, or nitro carbo nitrate; general provisions. 126.28 Section 126..., ammonium nitrate fertilizers, fertilizer mixtures, or nitro carbo nitrate; general provisions. (a) When any item of ammonium nitrate, ammonium nitrate fertilizers, fertilizer mixtures, or nitro carbo...

  2. 33 CFR 126.28 - Ammonium nitrate, ammonium nitrate fertilizers, fertilizer mixtures, or nitro carbo nitrate...

    Code of Federal Regulations, 2014 CFR

    2014-07-01

    ... nitrate fertilizers, fertilizer mixtures, or nitro carbo nitrate; general provisions. 126.28 Section 126..., ammonium nitrate fertilizers, fertilizer mixtures, or nitro carbo nitrate; general provisions. (a) When any item of ammonium nitrate, ammonium nitrate fertilizers, fertilizer mixtures, or nitro carbo...

  3. 33 CFR 126.28 - Ammonium nitrate, ammonium nitrate fertilizers, fertilizer mixtures, or nitro carbo nitrate...

    Code of Federal Regulations, 2013 CFR

    2013-07-01

    ... nitrate fertilizers, fertilizer mixtures, or nitro carbo nitrate; general provisions. 126.28 Section 126..., ammonium nitrate fertilizers, fertilizer mixtures, or nitro carbo nitrate; general provisions. (a) When any item of ammonium nitrate, ammonium nitrate fertilizers, fertilizer mixtures, or nitro carbo...

  4. Facile activation of dihydrogen by a phosphinito-bridged Pt(I)-Pt(I) complex.

    PubMed

    Mastrorilli, Piero; Latronico, Mario; Gallo, Vito; Polini, Flavia; Re, Nazzareno; Marrone, Alessandro; Gobetto, Roberto; Ellena, Silvano

    2010-04-07

    The phosphinito-bridged Pt(I) complex [(PHCy(2))Pt(mu-PCy(2)){kappa(2)P,O-mu-P(O)Cy(2)}Pt(PHCy(2))](Pt-Pt) (1) reversibly adds H(2) under ambient conditions, giving cis-[(H)(PHCy(2))Pt(1)(mu-PCy(2))(mu-H)Pt(2)(PHCy(2)){kappaP-P(O)Cy(2)}](Pt-Pt) (2). Complex 2 slowly isomerizes spontaneously into the corresponding more stable isomer trans-[(PHCy(2))(H)Pt(mu-PCy(2))(mu-H)Pt(PHCy(2)){kappaP-P(O)Cy(2)}](Pt-Pt) (3). DFT calculations indicate that the reaction of 1 with H(2) occurs through an initial heterolytic splitting of the H(2) molecule assisted by the phosphinito oxygen with breaking of the Pt-O bond and hydrogenation of the Pt and O atoms, leading to the formation of the intermediate [(PHCy(2))(H)Pt(mu-PCy(2))Pt(PHCy(2)){kappaP-P(OH)Cy(2)}](Pt-Pt) (D), where the two split hydrogen atoms interact within a six-membered Pt-H...H-O-P-Pt ring. Compound D is a labile intermediate which easily evolves into the final dihydride complex 2 through a facile (9-15 kcal mol(-1), depending on the solvent) hydrogen shift from the phosphinito oxygen to the Pt-Pt bond. Information obtained by addition of para-H(2) on 1 are in agreement with the presence of a heterolytic pathway in the 1 --> 2 transformation. NMR experiments and DFT calculations also gave evidence for the nonclassical dihydrogen complex [(PHCy(2))(eta(2)-H(2))Pt(mu-PCy(2))Pt(PHCy(2)){kappaP-P(O)Cy(2)}](Pt-Pt) (4), which is an intermediate in the dehydrogenation of 2 to 1 and is also involved in intramolecular and intermolecular exchange processes. Experimental and DFT studies showed that the isomerization 2 --> 3 occurs via an intramolecular mechanism essentially consisting of the opening of the Pt-Pt bond and of the hydrogen bridge followed by the rotation of the coordination plane of the Pt center with the terminal hydride ligand.

  5. Phase diagram of ammonium nitrate

    NASA Astrophysics Data System (ADS)

    Dunuwille, Mihindra; Yoo, Choong-Shik

    2013-12-01

    Ammonium Nitrate (AN) is a fertilizer, yet becomes an explosive upon a small addition of chemical impurities. The origin of enhanced chemical sensitivity in impure AN (or AN mixtures) is not well understood, posing significant safety issues in using AN even today. To remedy the situation, we have carried out an extensive study to investigate the phase stability of AN and its mixtures with hexane (ANFO-AN mixed with fuel oil) and Aluminum (Ammonal) at high pressures and temperatures, using diamond anvil cells (DAC) and micro-Raman spectroscopy. The results indicate that pure AN decomposes to N2, N2O, and H2O at the onset of the melt, whereas the mixtures, ANFO and Ammonal, decompose at substantially lower temperatures. The present results also confirm the recently proposed phase IV-IV' transition above 17 GPa and provide new constraints for the melting and phase diagram of AN to 40 GPa and 400°C.

  6. Incorporation of quaternary ammonium salts containing different counterions to improve the performance of inverted perovskite solar cells

    NASA Astrophysics Data System (ADS)

    Yan, Po-Ruei; Huang, Wei-Jie; Yang, Sheng-Hsiung

    2017-02-01

    In this research, three quaternary ammonium salts containing different counterions, including tetrabutylammonium bromide (TBABr), tetrabutylammonium tetrafluoroborate (TBABF4), and tetrabutylammonium hexafluorophosphate (TBAPF6), were incorporated into [6,6]-phenyl-C61 butyric acid methyl ester (PCBM) as electron transporting layer (ETL). These salts-doped PCBM films revealed higher electron mobility and Fermi levels compared with the un-doped one. Better charge transfer at the interface between perovskite and salts-doped PCBM was also obtained from PL quenching experiments. Inverted perovskite solar cells with the configuration of ITO/PEDOT:PSS/CH3NH3PbI3/PCBM + salts/Ag were fabricated, and the JSC and FF of devices were significantly enhanced using salts-doped PCBM as ETL. The best device based on TBABF4-doped PCBM delivered a power conversion efficiency (PCE) up to 13.41%, which was superior to the one with undoped PCBM layer (PCE = 8.77%).

  7. 76 FR 46907 - Ammonium Nitrate Security Program

    Federal Register 2010, 2011, 2012, 2013, 2014

    2011-08-03

    ... comments. SUMMARY: This proposed rule would implement anti-terrorism measures to better secure the homeland... purpose of preventing the use of ammonium nitrate in an act of terrorism. This proposed rule seeks comment... Regulations Addressing Ammonium Nitrate a. Chemical Facility Anti-Terrorism Standards b. U.S. Coast...

  8. Biodegradation of rocket propellant waste, ammonium perchlorate

    NASA Technical Reports Server (NTRS)

    Naqvi, S. M. Z.; Latif, A.

    1975-01-01

    The short term effects of ammonium perchlorate on selected organisms were studied. A long term experiment was also designed to assess the changes incurred by ammonium perchlorate on the nitrogen and chloride contents of soil within a period of 3 years. In addition, an attempt was made to produce methane gas from anaerobic fermentation of the aquatic weed, Alternanthera philoxeroides.

  9. Dielectric relaxations in partly deuterated ammonium dichromate

    NASA Astrophysics Data System (ADS)

    Gilchrist, John le G.

    1987-12-01

    Two dielectric relaxations in partly deuterated ammonium dichromate are attributed to reorientations of mixed-isotope ammonium ions. Loss peaks were observed between 20 and 40 K and obey the Arrhenius law with activation energy 1.5 kcal/mol for the stronger relaxation. The dipole moment is of the order of 0.015 D.

  10. Ammonium nonanoate broadcast application over onions

    USDA-ARS?s Scientific Manuscript database

    Ammonium nonanoate occurs in nature and is primarily formed from biodegradation of higher fatty acids. Racer (40% ammonium nonaoate) is a potential contact herbicide for weed control in organic crop production. Field research was conducted in southeast Oklahoma (Atoka County, Lane, OK) to determin...

  11. Evolution of Electrogenic Ammonium Transporters (AMTs)

    DOE PAGES

    McDonald, Tami R.; Ward, John M.

    2016-03-31

    The ammonium transporter gene family consists of three main clades, AMT, MEP, and Rh. The evolutionary history of the AMT/MEP/Rh gene family is characterized by multiple horizontal gene transfer events, gene family expansion and contraction, and gene loss; thus the gene tree for this family of transporters is unlike the organismal tree. The genomes of angiosperms contain genes for both electrogenic and electroneutral ammonium transporters, but it is not clear how far back in the land plant lineage electrogenic ammonium transporters occur. Here, we place Marchantia polymorpha ammonium transporters in the AMT/MEP/Rh phylogeny and we show that AMTs from themore » liverwort M. polymorpha are electrogenic. This information suggests that electrogenic ammonium transport evolved at least as early as the divergence of bryophytes in the land plant lineage.« less

  12. Evolution of Electrogenic Ammonium Transporters (AMTs)

    SciTech Connect

    McDonald, Tami R.; Ward, John M.

    2016-03-31

    The ammonium transporter gene family consists of three main clades, AMT, MEP, and Rh. The evolutionary history of the AMT/MEP/Rh gene family is characterized by multiple horizontal gene transfer events, gene family expansion and contraction, and gene loss; thus the gene tree for this family of transporters is unlike the organismal tree. The genomes of angiosperms contain genes for both electrogenic and electroneutral ammonium transporters, but it is not clear how far back in the land plant lineage electrogenic ammonium transporters occur. Here, we place Marchantia polymorpha ammonium transporters in the AMT/MEP/Rh phylogeny and we show that AMTs from the liverwort M. polymorpha are electrogenic. This information suggests that electrogenic ammonium transport evolved at least as early as the divergence of bryophytes in the land plant lineage.

  13. Evolution of Electrogenic Ammonium Transporters (AMTs)

    PubMed Central

    McDonald, Tami R.; Ward, John M.

    2016-01-01

    The ammonium transporter gene family consists of three main clades, AMT, MEP, and Rh. The evolutionary history of the AMT/MEP/Rh gene family is characterized by multiple horizontal gene transfer events, gene family expansion and contraction, and gene loss; thus the gene tree for this family of transporters is unlike the organismal tree. The genomes of angiosperms contain genes for both electrogenic and electroneutral ammonium transporters, but it is not clear how far back in the land plant lineage electrogenic ammonium transporters occur. Here, we place Marchantia polymorpha ammonium transporters in the AMT/MEP/Rh phylogeny and we show that AMTs from the liverwort M. polymorpha are electrogenic. This information suggests that electrogenic ammonium transport evolved at least as early as the divergence of bryophytes in the land plant lineage. PMID:27066024

  14. Fabrication and cytocompatibility of spherical magnesium ammonium phosphate granules.

    PubMed

    Christel, Theresa; Geffers, Martha; Klammert, Uwe; Nies, Berthold; Höß, Andreas; Groll, Jürgen; Kübler, Alexander C; Gbureck, Uwe

    2014-09-01

    Magnesium phosphate compounds, as for example struvite (MgNH4PO4·6H2O), have comparable characteristics to calcium phosphate bone substitutes, but degrade faster under physiological conditions. In the present work, we used a struvite forming calcium doped magnesium phosphate cement with the formulation Ca0.75Mg2.25(PO4)2 and an ammonium phosphate containing aqueous solution to produce round-shaped granules. For the fabrication of spherical granules, the cement paste was dispersed in a lipophilic liquid and stabilized by surfactants. The granules were characterized with respect to morphology, size distribution, phase composition, compressive strength, biocompatibility and solubility. In general, it was seen that small granules can hardly be produced by means of emulsification, when the raw material is a hydraulic paste, because long setting times promote coalescence of initially small unhardened cement droplets. Here, this problem was solved by using an aqueous solution containing both the secondary (NH4)2HPO4 and primary ammonium phosphates NH4H2PO4 to accelerate the setting reaction. This resulted in granules with 97 wt.% having a size in the range between 200 and 1,000 μm. The novel solution composition doubled the compressive strength of the cement to 37 ± 5 MPa without affecting either the conversion to struvite or the cytocompatibility using human fetal osteoblasts.

  15. 49 CFR 176.415 - Permit requirements for Division 1.5, ammonium nitrates, and certain ammonium nitrate fertilizers.

    Code of Federal Regulations, 2012 CFR

    2012-10-01

    ... nitrates, and certain ammonium nitrate fertilizers. 176.415 Section 176.415 Transportation Other... requirements for Division 1.5, ammonium nitrates, and certain ammonium nitrate fertilizers. (a) Except as... Captain of the Port (COTP). (1) Ammonium nitrate UN1942, ammonium nitrate fertilizers containing more...

  16. 49 CFR 176.415 - Permit requirements for Division 1.5, ammonium nitrates, and certain ammonium nitrate fertilizers.

    Code of Federal Regulations, 2013 CFR

    2013-10-01

    ... nitrates, and certain ammonium nitrate fertilizers. 176.415 Section 176.415 Transportation Other... requirements for Division 1.5, ammonium nitrates, and certain ammonium nitrate fertilizers. (a) Except as... Captain of the Port (COTP). (1) Ammonium nitrate UN1942, ammonium nitrate fertilizers containing more...

  17. 49 CFR 176.415 - Permit requirements for Division 1.5, ammonium nitrates, and certain ammonium nitrate fertilizers.

    Code of Federal Regulations, 2014 CFR

    2014-10-01

    ... nitrates, and certain ammonium nitrate fertilizers. 176.415 Section 176.415 Transportation Other... requirements for Division 1.5, ammonium nitrates, and certain ammonium nitrate fertilizers. (a) Except as... Captain of the Port (COTP). (1) Ammonium nitrate UN1942, ammonium nitrate fertilizers containing more...

  18. Airplane dopes and doping

    NASA Technical Reports Server (NTRS)

    Smith, W H

    1919-01-01

    Cellulose acetate and cellulose nitrate are the important constituents of airplane dopes in use at the present time, but planes were treated with other materials in the experimental stages of flying. The above compounds belong to the class of colloids and are of value because they produce a shrinking action on the fabric when drying out of solution, rendering it drum tight. Other colloids possessing the same property have been proposed and tried. In the first stages of the development of dope, however, shrinkage was not considered. The fabric was treated merely to render it waterproof. The first airplanes constructed were covered with cotton fabric stretched as tightly as possible over the winds, fuselage, etc., and flying was possible only in fine weather. The necessity of an airplane which would fly under all weather conditions at once became apparent. Then followed experiments with rubberized fabrics, fabrics treated with glue rendered insoluble by formaldehyde or bichromate, fabrics treated with drying and nondrying oils, shellac, casein, etc. It was found that fabrics treated as above lost their tension in damp weather, and the oil from the motor penetrated the proofing material and weakened the fabric. For the most part the film of material lacked durability. Cellulose nitrate lacquers, however were found to be more satisfactory under varying weather conditions, added less weight to the planes, and were easily applied. On the other hand, they were highly inflammable, and oil from the motor penetrated the film of cellulose nitrate, causing the tension of the fabric to be relaxed.

  19. The nucleation kinetics of ammonium metavanadate precipitated by ammonium chloride

    NASA Astrophysics Data System (ADS)

    Du, Guangchao; Sun, Zhaohui; Xian, Yong; Jing, Han; Chen, Haijun; Yin, Danfeng

    2016-05-01

    The nucleation kinetics of ammonium metavanadate (NH4VO3) was investigated under conditions of the simulated process for precipitation of NH4VO3 from the vanadium-containing solution. Induction periods for the nucleation of NH4VO3 were experimentally determined as a function of supersaturation at temperatures from 30 to 45 °C. Using the classical nucleation theory, the interfacial tension between NH4VO3 and supersaturated solution, the nucleation rate and critical radius of nucleus for the homogeneous nucleation of NH4VO3 were estimated. With temperature increasing, the calculated interfacial tension gradually decreased from 29.78 mJ/m2 at 30 °C to 23.66 mJ/m2 at 45 °C. The nucleation rate was found to proportionally increase but the critical radius of nucleus exponentially decreased, with increase in supersaturation ratio at a constant temperature. The activation energy for NH4VO3 nucleation was obtained from the relationship between temperature and induction period, ranging from 79.17 kJ/mol at S=25 to 115.50 kJ/mol at S=15. FT-IR and Raman spectrum indicated that the crystals obtained in the precipitation process were NH4VO3.

  20. Theoretical Investigations on the Formation and Dehydrogenation Reaction Pathways of H(NH2BH2)nH (n=1-4) Oligomers: Importance of Dihydrogen Interactions (DHI)

    SciTech Connect

    Li, Jun; Kathmann, Shawn M.; Hu, Han-Shi; Schenter, Gregory K.; Autrey, Thomas; Gutowski, Maciej S.

    2010-09-06

    The H(NH2BH2)nH oligomers are possible products from dehydrogenation of ammonia borane (NH3BH3) and ammonium borohydride (NH4BH4), which belong to a class of boron-nitrogen-hydrogen (BNHx) compounds that are promising materials for chemical hydrogen storage. Understanding the kinetics and reaction pathways of formation of these oligomers and their further dehydrogenation is essential for developing BNHx-based hydrogen storage materials. We have performed computational modeling using density functional theory (DFT), ab initio wavefunction theory, and Car-Parrinello molecular dynamics (CPMD) simulations on the energetics and formation pathways for the H(NH2BH2)nH (n=1-4) oligomers, polyaminoborane (PAB), from NH3BH3 monomers and the subsequent dehydrogenation steps to form polyiminoborane (PIB). Through transition state searches and evaluation of the intrinsic reaction coordinates, we have investigated the B-N bond cleavage, the reactions of NH3BH3 molecule with intermediates, dihydrogen release through intra- and intermolecular hydrogen transfer, dehydrocoupling/cyclization of the oligomers, and the dimerization of NH3BH3 molecules. We discovered the formation mechanism of H(NH2BH2)n+1H oligomers through reactions of the H(NH2BH2)nH oligomers first with BH3 followed by reactions with NH3 and the release of H2, where the BH3 and NH3 intermediates are formed through dissociation of NH3BH3. We also found that the dimerization of the NH3BH3 molecules to form c-(NH2BH2)2 is slightly exothermic, with an unexpected transition state that leads to the simultaneous release of two H2 molecules. The dehydrogenations of the oligomers are also exothermic, typically by less than 10 kcal/(mol of H2), with the largest exothermicity for n=3. The transition state search shows that the one-step direct dehydrocoupling cyclization of the oligomers is not a favored pathway because of high activation barriers. The dihydrogen bonding, in which protic (HN) hydrogens interact with hydridic

  1. Magnesia-ammonium phosphate-bonded cordierite refractory castables: Phase evolution on heating and mechanical properties

    SciTech Connect

    Hipedinger, Nora E.; Scian, Alberto N.; Aglietti, Esteban F

    2004-01-01

    A cordierite refractory castable was developed using the MgO-NH{sub 4}H{sub 2}PO{sub 4} reaction. This castable was made with cordierite-mullite aggregates from scrap refractory material and a cement paste based on magnesia, calcined alumina, silica fume, and ammonium dihydrogen phosphate, which forms cordierite (2MgO{center_dot}2Al{sub 2}O{sub 3}{center_dot}5SiO{sub 2}) during heating at high temperature. The mix with water was cast into steel molds; the cold setting occurs within 30 min. The set castables were thermally treated and the evolution of the phases was observed. Struvite (NH{sub 4}{center_dot}MgPO{sub 4}{center_dot}6H{sub 2}O) was identified at room temperature; between 110 and 750 deg. C, the present phosphates were amorphous to X-ray diffraction (XRD). At 1100 deg. C, magnesium orthophosphate (Mg{sub 3}(PO{sub 4}){sub 2}) and aluminum orthophosphate (AlPO{sub 4}) were present. At 1350 deg. C, the main crystalline phases were cordierite and mullite. Cold and hot flexural strength, thermal shock resistance, and physical properties were measured. The properties of magnesia-phosphate-bonded cordierite castables were compared with cordierite material obtained by conventional slip-casting method from aggregates, clay, talc, and calcined alumina.

  2. 21 CFR 73.1298 - Ferric ammonium ferrocyanide.

    Code of Federal Regulations, 2013 CFR

    2013-04-01

    ...) Identity. (1) The color additive ferric ammonium ferrocyanide is the blue pigment obtained by oxidizing... product is filtered, washed, and dried. The pigment consists principally of ferric ammonium...

  3. 21 CFR 73.1298 - Ferric ammonium ferrocyanide.

    Code of Federal Regulations, 2010 CFR

    2010-04-01

    ...) Identity. (1) The color additive ferric ammonium ferrocyanide is the blue pigment obtained by oxidizing... product is filtered, washed, and dried. The pigment consists principally of ferric ammonium...

  4. 21 CFR 73.1298 - Ferric ammonium ferrocyanide.

    Code of Federal Regulations, 2014 CFR

    2014-04-01

    ...) Identity. (1) The color additive ferric ammonium ferrocyanide is the blue pigment obtained by oxidizing... product is filtered, washed, and dried. The pigment consists principally of ferric ammonium...

  5. 21 CFR 73.1298 - Ferric ammonium ferrocyanide.

    Code of Federal Regulations, 2012 CFR

    2012-04-01

    ...) Identity. (1) The color additive ferric ammonium ferrocyanide is the blue pigment obtained by oxidizing... product is filtered, washed, and dried. The pigment consists principally of ferric ammonium...

  6. Phase diagram of ammonium nitrate

    SciTech Connect

    Dunuwille, Mihindra; Yoo, Choong-Shik

    2013-12-07

    Ammonium Nitrate (AN) is a fertilizer, yet becomes an explosive upon a small addition of chemical impurities. The origin of enhanced chemical sensitivity in impure AN (or AN mixtures) is not well understood, posing significant safety issues in using AN even today. To remedy the situation, we have carried out an extensive study to investigate the phase stability of AN and its mixtures with hexane (ANFO–AN mixed with fuel oil) and Aluminum (Ammonal) at high pressures and temperatures, using diamond anvil cells (DAC) and micro-Raman spectroscopy. The results indicate that pure AN decomposes to N{sub 2}, N{sub 2}O, and H{sub 2}O at the onset of the melt, whereas the mixtures, ANFO and Ammonal, decompose at substantially lower temperatures. The present results also confirm the recently proposed phase IV-IV{sup ′} transition above 17 GPa and provide new constraints for the melting and phase diagram of AN to 40 GPa and 400°C.

  7. Substrate specificity of Rhbg: ammonium and methyl ammonium transport

    PubMed Central

    Abdulnour-Nakhoul, Solange M.; Boulpaep, Emile L.; Rabon, Edd; Schmidt, Eric; Hamm, L. Lee

    2010-01-01

    Rhbg is a nonerythroid membrane glycoprotein belonging to the Rh antigen family. In the kidney, Rhbg is expressed at the basolateral membrane of intercalated cells of the distal nephron and is involved in NH4+ transport. We investigated the substrate specificity of Rhbg by comparing transport of NH3/NH4+ with that of methyl amine (hydrochloride) (MA/MA+), often used to replace NH3/NH4+, in oocytes expressing Rhbg. Methyl amine (HCl) in solution exists as neutral methyl amine (MA) in equilibrium with the protonated methyl ammonium (MA+). To assess transport, we used ion-selective microelectrodes and voltage-clamp experiments to measure NH3/NH4+- and MA/MA+-induced intracellular pH (pHi) changes and whole cell currents. Our data showed that in Rhbg oocytes, NH3/NH4+ caused an inward current and decrease in pHi consistent with electrogenic NH4+ transport. These changes were significantly larger than in H2O-injected oocytes. The NH3/NH4+-induced current was not inhibited in the presence of barium or in the absence of Na+. In Rhbg oocytes, MA/MA+ caused an inward current but an increase (rather than a decrease) in pHi. MA/MA+ did not cause any changes in H2O-injected oocytes. The MA/MA+-induced current and pHi increase were saturated at higher concentrations of MA/MA+. Amiloride inhibited MA/MA+-induced current and the increase in pHi in oocytes expressing Rhbg but had no effect on control oocytes. These results indicate that MA/MA+ is transported by Rhbg but differently than NH3/NH4+. The protonated MA+ is likely a direct substrate whose transport resembles that of NH4+. Transport of electroneutral MA is also enhanced by expression of Rhbg. PMID:20592240

  8. Substrate specificity of Rhbg: ammonium and methyl ammonium transport.

    PubMed

    Nakhoul, Nazih L; Abdulnour-Nakhoul, Solange M; Boulpaep, Emile L; Rabon, Edd; Schmidt, Eric; Hamm, L Lee

    2010-09-01

    Rhbg is a nonerythroid membrane glycoprotein belonging to the Rh antigen family. In the kidney, Rhbg is expressed at the basolateral membrane of intercalated cells of the distal nephron and is involved in NH4+ transport. We investigated the substrate specificity of Rhbg by comparing transport of NH3/NH4+ with that of methyl amine (hydrochloride) (MA/MA+), often used to replace NH3/NH4+, in oocytes expressing Rhbg. Methyl amine (HCl) in solution exists as neutral methyl amine (MA) in equilibrium with the protonated methyl ammonium (MA+). To assess transport, we used ion-selective microelectrodes and voltage-clamp experiments to measure NH3/NH4+- and MA/MA+-induced intracellular pH (pH(i)) changes and whole cell currents. Our data showed that in Rhbg oocytes, NH3/NH4+ caused an inward current and decrease in pH(i) consistent with electrogenic NH4+ transport. These changes were significantly larger than in H2O-injected oocytes. The NH3/NH4+-induced current was not inhibited in the presence of barium or in the absence of Na+. In Rhbg oocytes, MA/MA+ caused an inward current but an increase (rather than a decrease) in pH(i). MA/MA+ did not cause any changes in H2O-injected oocytes. The MA/MA+-induced current and pH(i) increase were saturated at higher concentrations of MA/MA+. Amiloride inhibited MA/MA+-induced current and the increase in pH(i) in oocytes expressing Rhbg but had no effect on control oocytes. These results indicate that MA/MA+ is transported by Rhbg but differently than NH3/NH4+. The protonated MA+ is likely a direct substrate whose transport resembles that of NH4+. Transport of electroneutral MA is also enhanced by expression of Rhbg.

  9. 76 FR 70366 - Ammonium Nitrate Security Program

    Federal Register 2010, 2011, 2012, 2013, 2014

    2011-11-14

    ...- accessible Internet access could obtain the access necessary to register online. 3. How to best notify... ammonium nitrate sellers (AN Sellers) when it is not possible for an AN Seller to verify the identity of...

  10. Biodegradation of rocket propellent waste, ammonium perchlorate

    NASA Technical Reports Server (NTRS)

    Naqui, S. M. Z.

    1975-01-01

    The impact of the biodegradation rate of ammonium perchlorate on the environment was studied in terms of growth, metabolic rate, and total biomass of selected animal and plant species. Brief methodology and detailed results are presented.

  11. Toxicology of ammonium sulfate in the lung

    SciTech Connect

    Pepelko, W.E.; Mattox, J.K.; Cohen, A.L.

    1980-01-01

    Despite the relatively low toxicity of ammonium sulfate in experimental animals, it cannot be concluded that increased sulfuric acid production is harmless to human health. Many other pollutants are present in ambient air with possible synergistic effects. Sulfuric acid undoubtedly reacts to produce other sulfates in ambient air which are often much more toxic. For example zinc sulfate and zinc ammonium sulfate are much more irritating to the lung than ammonium sulfate. In order to assess with more certainty the health effects of increased sulfuric acid production, it will be necessary to determine accurately that proportion inhaled as free sulfuric acid compared with ammonium sulfate as well as the proportion and kinds of other sulfates present in the atmosphere.

  12. Electrochemically and Bioelectrochemically Induced Ammonium Recovery

    PubMed Central

    Gildemyn, Sylvia; Luther, Amanda K.; Andersen, Stephen J.; Desloover, Joachim; Rabaey, Korneel

    2015-01-01

    Streams such as urine and manure can contain high levels of ammonium, which could be recovered for reuse in agriculture or chemistry. The extraction of ammonium from an ammonium-rich stream is demonstrated using an electrochemical and a bioelectrochemical system. Both systems are controlled by a potentiostat to either fix the current (for the electrochemical cell) or fix the potential of the working electrode (for the bioelectrochemical cell). In the bioelectrochemical cell, electroactive bacteria catalyze the anodic reaction, whereas in the electrochemical cell the potentiostat applies a higher voltage to produce a current. The current and consequent restoration of the charge balance across the cell allow the transport of cations, such as ammonium, across a cation exchange membrane from the anolyte to the catholyte. The high pH of the catholyte leads to formation of ammonia, which can be stripped from the medium and captured in an acid solution, thus enabling the recovery of a valuable nutrient. The flux of ammonium across the membrane is characterized at different anolyte ammonium concentrations and currents for both the abiotic and biotic reactor systems. Both systems are compared based on current and removal efficiencies for ammonium, as well as the energy input required to drive ammonium transfer across the cation exchange membrane. Finally, a comparative analysis considering key aspects such as reliability, electrode cost, and rate is made. This video article and protocol provide the necessary information to conduct electrochemical and bioelectrochemical ammonia recovery experiments. The reactor setup for the two cases is explained, as well as the reactor operation. We elaborate on data analysis for both reactor types and on the advantages and disadvantages of bioelectrochemical and electrochemical systems. PMID:25651406

  13. Electrochemically and bioelectrochemically induced ammonium recovery.

    PubMed

    Gildemyn, Sylvia; Luther, Amanda K; Andersen, Stephen J; Desloover, Joachim; Rabaey, Korneel

    2015-01-22

    Streams such as urine and manure can contain high levels of ammonium, which could be recovered for reuse in agriculture or chemistry. The extraction of ammonium from an ammonium-rich stream is demonstrated using an electrochemical and a bioelectrochemical system. Both systems are controlled by a potentiostat to either fix the current (for the electrochemical cell) or fix the potential of the working electrode (for the bioelectrochemical cell). In the bioelectrochemical cell, electroactive bacteria catalyze the anodic reaction, whereas in the electrochemical cell the potentiostat applies a higher voltage to produce a current. The current and consequent restoration of the charge balance across the cell allow the transport of cations, such as ammonium, across a cation exchange membrane from the anolyte to the catholyte. The high pH of the catholyte leads to formation of ammonia, which can be stripped from the medium and captured in an acid solution, thus enabling the recovery of a valuable nutrient. The flux of ammonium across the membrane is characterized at different anolyte ammonium concentrations and currents for both the abiotic and biotic reactor systems. Both systems are compared based on current and removal efficiencies for ammonium, as well as the energy input required to drive ammonium transfer across the cation exchange membrane. Finally, a comparative analysis considering key aspects such as reliability, electrode cost, and rate is made. This video article and protocol provide the necessary information to conduct electrochemical and bioelectrochemical ammonia recovery experiments. The reactor setup for the two cases is explained, as well as the reactor operation. We elaborate on data analysis for both reactor types and on the advantages and disadvantages of bioelectrochemical and electrochemical systems.

  14. Critical surface energy of composite cement containing MDP (10-methacryloyloxydecyl dihydrogen phosphate) and chemical bonding to hydroxyapatite.

    PubMed

    Dabsie, Firas; Grégoire, Geneviève; Sharrock, Patrick

    2012-01-01

    Self-adhesive composite cements are increasingly used for cementing inlays/onlays, intraradicular posts, crowns and laminate veneers. Wider clinical acceptance is driven by simpler and faster handling procedures, much like observed for self-etching adhesives. 10-Methacryloyloxydecyl dihydrogen phosphate (MDP) is a bi-functional monomer incorporated as the reactive ingredient in a contemporary self-adhesive cement. We have examined the surface free energy parameters of this cement and studied the mode of action of the cement on dentine substrate by contact angle measurements to determine the critical surface energy of the cement. Retention of the infrared absorption bands characteristic of the acrylate moieties on the surface of hydroxyapatite particles suggests that MDP contributes to the overall bonding to dentine by forming ionic chemical bonds with surface calcium ions in dentine crystalites.

  15. The effect of pulse duration on laser-induced damage by 1053-nm light in potassium dihydrogen phosphate crystals

    SciTech Connect

    Cross, D A; Braunstein, M R; Carr, C W

    2006-11-27

    Laser induced damage in potassium dihydrogen phosphate (KDP) has previously been shown to depend significantly on pulse duration for 351-nm Gaussian pulses. In this work we studied the properties of damage initiated by 1053-nm temporally Gaussian pulses with 10ns and 3ns FWHM durations. Our results indicate that the number of damage sites induced by 1053-nm light scales with pulse duration ({tau}) as ({tau}{sub 1}/{tau}{sub 2}){sup 0.17} in contrast to the previously reported results for 351-nm light as ({tau}{sub 1}/{tau}{sub 2}){sup 0.35}. This indicates that damage site formation is significantly less probable at longer wavelengths for a given fluence.

  16. An investigation on the surface/subsurface defects in potassium dihydrogen phosphate crystals after fly-cutting

    NASA Astrophysics Data System (ADS)

    Hou, Ning; Zhang, Yong; Zhang, Liangchi; Mylvaganam, Kausala; Wei, Junqi; Zhang, Feihu

    2016-10-01

    Potassium dihydrogen phosphate (KDP) crystals play an important role in the laser ignition facility of inertial confinement fusion (ICF) due to its unique large size and transparency. However, the laser damage threshold (LDT) of KDP crystal components is far below the intrinsic threshold that the band structure of a perfect crystal should provide. It has been considered that the surface/subsurface defects of a KDP component have a significant effect on the low LDT. This paper investigates the surface fogging phenomenon when a KDP is machined by a dry diamond fly-cutting. The subsurface damage was detected with the aid of the grazing incidence X-ray diffraction (GIXD) method. It was found that the subsurface structure changed from the KDP single crystal to a lattice misaligned structure due to the fly-cutting.

  17. Crystal structure of caesium di-hydrogen citrate from laboratory X-ray powder diffraction data and DFT comparison.

    PubMed

    Rammohan, Alagappa; Kaduk, James A

    2017-02-01

    The crystal structure of caesium di-hydrogen citrate, Cs(+)·H2C6H5O7(-), has been solved and refined using laboratory X-ray powder diffraction data, and optimized using density functional techniques. The coordination polyhedra of the nine-coordinate Cs(+) cations share edges to form chains along the a-axis. These chains are linked by corners along the c-axis. The un-ionized carb-oxy-lic acid groups form two different types of hydrogen bonds; one forms a helical chain along the c-axis, and the other is discrete. The hy-droxy group participates in both intra- and inter-molecular hydrogen bonds.

  18. Dihydrogen and Acetylene Activation by a Gold(I)/Platinum(0) Transition Metal Only Frustrated Lewis Pair.

    PubMed

    Campos, Jesús

    2017-03-01

    The first example of a frustrated Lewis pair (FLP) solely constructed around transition metal centers is described in this work. We have focused on the established capacity of Au(I) and Pt(0) complexes to act as Lewis acidic and basic fragments, respectively, while employing sufficiently bulky P(t)Bu3 and terphenyl phosphine ligands. This avoids formation of metallic Lewis adducts and confers the Au(I)/Pt(0) pair a remarkable capacity to activate dihydrogen and acetylene molecules in a fashion that closely resembles that of traditional main group FLP systems. As a consequence, unusual heterobimetallic Au(I)/Pt(II) complexes containing hydride (-H), acetylide (-C≡CH), and vinylene (-HC═CH-) bridges have been isolated.

  19. Infrared Spectroscopy of PHENOL^+-TRIETHYLSILANE Dihydrogen-Bonded Cluster: Intrinsic Strength of the Si-H\\cdotsH-O Dyhydrogen Bond

    NASA Astrophysics Data System (ADS)

    Ishikawa, Haruki; Kawasaki, Takayuki; Inomata, Risa

    2015-06-01

    Dihydrogen bond is known to be one of the unconventional hydrogen bonds. When a hydrogen atom is bonded to an electropositive atom, such as B, Al, and so on, the hydrogen atom has a partial negative charge. Then, a hydrogen-bond type interaction are formed between the oppositely charged two hydrogen atoms. This interaction is called a dihydrogen bond. In the previous study, we reported the infrared spectroscopy of neutral phenol (PhOH)-triethylsilane (TES) cluster. It was suggested that the Si-H\\cdotsH-O dihydrogen bond should be as strong as the π-type hydrogen bond. In the present study, to investigate the intrinsic strength of the Si-H\\cdotsH-O dihydrogen bond, infrared photodissociation spectroscopy on the PhOH^+-TES and PhOH^+-diethylmethysilane (DEMS) cationic clusteris was carried out. Both of the clusters exhibit a very broad and intense band centered at about 2860 cm-1. This band is assigned as the OH stretching band of the PhOH^+ moiety. Based on the amount of the red-shift of the OH stretching band and the results of the theoretical calculations, the intrinsic strength of the Si-H\\cdotsH-O dihydrogen bond is evaluated to be stronger than that of the π-type hydrogen bond. The proton affinities of TES and DEMS estimated by the theoretical calculation are larger than those of benzene and ethylene. These results are consistent with our experimental observations. H. Ishikawa, T. Kawasaki, RJ02, the 68th International Symposium on Molecular Spectroscopy (2013)}. It was 119, 601 (2015). H. Ishikawa, T. Kawasaki, R. Inomata, J. Phys. Chem. A 119, 601 (2015).

  20. 21 CFR 172.430 - Iron ammonium citrate.

    Code of Federal Regulations, 2013 CFR

    2013-04-01

    ... 21 Food and Drugs 3 2013-04-01 2013-04-01 false Iron ammonium citrate. 172.430 Section 172.430... CONSUMPTION Anticaking Agents § 172.430 Iron ammonium citrate. Iron ammonium citrate may be safely used in... human consumption so that the level of iron ammonium citrate does not exceed 25 parts per million (0...

  1. 21 CFR 172.430 - Iron ammonium citrate.

    Code of Federal Regulations, 2010 CFR

    2010-04-01

    ... 21 Food and Drugs 3 2010-04-01 2009-04-01 true Iron ammonium citrate. 172.430 Section 172.430 Food... Anticaking Agents § 172.430 Iron ammonium citrate. Iron ammonium citrate may be safely used in food in... consumption so that the level of iron ammonium citrate does not exceed 25 parts per million (0.0025 percent...

  2. 21 CFR 172.430 - Iron ammonium citrate.

    Code of Federal Regulations, 2012 CFR

    2012-04-01

    ... 21 Food and Drugs 3 2012-04-01 2012-04-01 false Iron ammonium citrate. 172.430 Section 172.430... CONSUMPTION Anticaking Agents § 172.430 Iron ammonium citrate. Iron ammonium citrate may be safely used in... human consumption so that the level of iron ammonium citrate does not exceed 25 parts per million (0...

  3. 21 CFR 172.430 - Iron ammonium citrate.

    Code of Federal Regulations, 2011 CFR

    2011-04-01

    ... 21 Food and Drugs 3 2011-04-01 2011-04-01 false Iron ammonium citrate. 172.430 Section 172.430... CONSUMPTION Anticaking Agents § 172.430 Iron ammonium citrate. Iron ammonium citrate may be safely used in... human consumption so that the level of iron ammonium citrate does not exceed 25 parts per million (0...

  4. 77 FR 65532 - Solid Fertilizer Grade Ammonium Nitrate From the Russian Federation: Notice of Rescission of...

    Federal Register 2010, 2011, 2012, 2013, 2014

    2012-10-29

    ... International Trade Administration Solid Fertilizer Grade Ammonium Nitrate From the Russian Federation: Notice... the antidumping duty order on solid fertilizer grade ammonium nitrate (ammonium nitrate) from the... Administrative Review: Solid Fertilizer Grade Ammonium Nitrate (Ammonium Nitrate) from the Russian...

  5. Transcription Factor OsDOF18 Controls Ammonium Uptake by Inducing Ammonium Transporters in Rice Roots

    PubMed Central

    Wu, Yunfei; Yang, Wenzhu; Wei, Jinhuan; Yoon, Hyeryung; An, Gynheung

    2017-01-01

    Nitrogen is one of the most important mineral elements for plant growth. We studied the functional roles of Oryza sativa DNA BINDING WITH ONE FINGER 18 (OsDOF18) in controlling ammonium uptake. The growth of null mutants of OsDOF18 was retarded in a medium containing ammonium as the sole nitrogen source. In contrast, those mutants grew normally in a medium with nitrate as the sole nitrogen source. The gene expression was induced by ammonium but not by nitrate. Uptake of ammonium was lower in osdof18 mutants than in the wild type, while that of nitrate was not affected by the mutation. This indicated that OsDOF18 is involved in regulating ammonium transport. Among the 10 ammonium transporter genes examined here, expression of OsAMT1;1, OsAMT1;3, OsAMT2;1, and OsAMT4;1 was reduced in osdof18 mutants, demonstrating that the ammonium transporter genes function downstream of OsDOF18. Genes for nitrogen assimilation were also affected in the mutants. These results provide evidence that OsDOF18 mediates ammonium transport and nitrogen distribution, which then affects nitrogen use efficiency. PMID:28292004

  6. Crystallization characteristics of ammonium uranyl carbonate (AUC) in ammonium carbonate solutions

    NASA Astrophysics Data System (ADS)

    Tae-Joon, Kim; Kyung-Chai, Jeong; Jin-Ho, Park; In-Soon, Chang; Cheong-Song, Choi

    1994-05-01

    Ammonium carbonate solutions with an excessive amount of NH 3 were produced in a commercial AUC (ammonium uranyl carbonate) conversion plant. In this study the AUC crystals, precipitated with uranyl nitrate and ammonium carbonate solutions prepared in the laboratory, were characterized to determine the feasibility of recycling ammonium carbonate solution. The AUC crystals were easily agglomerated with the increasing concentration of CO 32- and mole ratio of {NH 4+}/{CO 32-} in ammonium carbonate solution. Effects of a mixing system for the solution in the AUC crystallizer and the feed location of the solution on the agglomeration of AUC crystals were also studied along with the effects of agglomerated AUC powders on UO 2 powders. Finally, the feasibility of manufacturing UO 2 fuel with a sintered pellet density of 10.52 g/cm 3, using the AUC powders generated in this experiment, was demonstrated.

  7. Calcium sulphate in ammonium sulphate solution

    USGS Publications Warehouse

    Sullivan, E.C.

    1905-01-01

    Calcium sulphate, at 25?? C., is two-thirds as soluble in dilute (o.i mol per liter) and twice as soluble in concentrated (3 mois per liter) ammonium sulphate solution as in water. The specific electric conductivity of concentrated ammonium sulphate solutions is lessened by saturating with calcium sulphate. Assuming that dissociation of ammonium sulphate takes place into 2NH4?? and SO4" and of calcium sulphate into Ca and SO4" only, and that the conductivity is a measure of such dissociation, the solubility of calcium sulphate in dilute ammonium sulphate solutions is greater than required by the mass-law. The conductivity of the dilute mixtures may be accurately calculated by means of Arrhenius' principle of isohydric solutions. In the data obtained in these calculations, the concentration of non-dissociated calcium sulphate decreases with increasing ammonium sulphate. The work as a whole is additional evidence of the fact that we are not yet in possession of all the factors necessary for reconciling the mass-law to the behavior of electrolytes. The measurements above described were made in the chemical laboratory of the University of Michigan.

  8. On the evaporation of ammonium sulfate solution

    SciTech Connect

    Drisdell, Walter S.; Saykally, Richard J.; Cohen, Ronald C.

    2009-07-16

    Aqueous evaporation and condensation kinetics are poorly understood, and uncertainties in their rates affect predictions of cloud behavior and therefore climate. We measured the cooling rate of 3 M ammonium sulfate droplets undergoing free evaporation via Raman thermometry. Analysis of the measurements yields a value of 0.58 {+-} 0.05 for the evaporation coefficient, identical to that previously determined for pure water. These results imply that subsaturated aqueous ammonium sulfate, which is the most abundant inorganic component of atmospheric aerosol, does not affect the vapor-liquid exchange mechanism for cloud droplets, despite reducing the saturation vapor pressure of water significantly.

  9. Di­hydrogen phosphate mediated supra­molecular frameworks in 2- and 4-chloro­anilinium dihydrogen phosphate salts

    PubMed Central

    Balamurugan, P.; Jagan, R.; Sivakumar, K.

    2010-01-01

    The title compounds, 2-chloro­anilinium dihydrogen phosphate (2CADHP) and 4-chloro­anilinium di­hydrogen phosphate (4CADHP), both C6H7NCl+·H2PO4 −, form two-dimensional supra­molecular organic–inorganic hybrid frameworks. In 2CADHP, the dihydrogen phosphate anions form a double-stranded anionic chain generated parallel to the [010] direction through O—H⋯O hydrogen bonds, whereas in 4CADHP they form a two-dimensional supra­molecular net extending parallel to the crystallographic (001) plane into which the cations are linked through strong N—H⋯O hydrogen bonds. PMID:20203405

  10. Analysis on structural, SHG efficiency, optical and mechanical properties of KDP single crystals influenced by Glycine doping.

    PubMed

    Shkir, Mohd; Ganesh, V; Vijayan, N; Riscob, B; Kumar, Anoop; Rana, Devendra Kumar; Shoeb Khan, Mohd; Hasmuddin, Mohd; Wahab, M A; Ramesh Babu, R; Bhagavannarayana, G

    2013-02-15

    Good quality single crystals of potassium dihydrogen orthophosphate (KDP) were grown with different doping concentration of Glycine by conventional solution technique in aqueous solution. X-ray diffraction study has been carried out in order to see the effect of dopant on the structural parameters of KDP. There is no additional phase was observed which was further confirmed by Raman spectroscopic analysis. The second harmonic generation efficiency was measured by using Kurtz powder technique. The relative second harmonic generation (SHG) efficiency of the grown crystals was found to be increased with doping concentration up to 2.5 mol%. Optical transmission study also revealed the same behaviour with enhancement up to 2.5 mol% concentration and later decreased but still higher than pure KDP. The mechanical strength was found to increase with increasing the doping concentration.

  11. Synthesis of myo-inositol 1,2,3-tris- and 1,2,3,5-tetrakis(dihydrogen phosphate)s as a tool for the inhibition of iron-gall-ink corrosion.

    PubMed

    Sala, Martin; Kolar, Jana; Strlic, Matija; Kocevar, Marijan

    2006-05-22

    Two myo-inositol phosphates, myo-inositol 1,2,3-tris(dihydrogen phosphate) and myo-inositol 1,2,3,5-tetrakis(dihydrogen phosphate), have been synthesised in several steps from myo-inositol (in Chem. Abstr.: d-myo-inositol) in the form of their sodium salts. They were shown to prevent iron-gall-ink decay in cellulose items at the same level as phytic acid dodecasodium salt.

  12. Conductivity and electrical properties of corn starch-chitosan blend biopolymer electrolyte incorporated with ammonium iodide

    NASA Astrophysics Data System (ADS)

    Yusof, Y. M.; Shukur, M. F.; Illias, H. A.; Kadir, M. F. Z.

    2014-03-01

    This work focuses on the characteristics of polymer blend electrolytes based on corn starch and chitosan doped with ammonium iodide (NH4I). The electrolytes were prepared using the solution cast method. A polymer blend comprising 80 wt% starch and 20 wt% chitosan was found to be the most amorphous blend and suitable to serve as the polymer host. Fourier transform infrared spectroscopy analysis proved the interaction between starch, chitosan and NH4I. The highest room temperature conductivity of (3.04 ± 0.32) × 10-4 S cm-1 was obtained when the polymer host was doped with 40 wt% NH4I. This result was further proven by field emission scanning electron microscopy study. All electrolytes were found to obey the Arrhenius rule. Dielectric studies confirm that the electrolytes obeyed non-Debye behavior. The temperature dependence of the power law exponent s for the highest conducting sample follows the quantum mechanical tunneling model.

  13. Control of Ligand pKa Values Tunes the Electrocatalytic Dihydrogen Evolution Mechanism in a Redox-Active Aluminum(III) Complex.

    PubMed

    Sherbow, Tobias J; Fettinger, James C; Berben, Louise A

    2017-08-07

    Redox-active ligands bring electron- and proton-transfer reactions to main-group coordination chemistry. In this Forum Article, we demonstrate how ligand pKa values can be used in the design of a reaction mechanism for a ligand-based electron- and proton-transfer pathway, where the ligand retains a negative charge and enables dihydrogen evolution. A bis(pyrazolyl)pyridine ligand, (iPr)Pz2P, reacts with 2 equiv of AlCl3 to afford [((iPr)Pz2P)AlCl2(THF)][AlCl4] (1). A reaction involving two-electron reduction and single-ligand protonation of 1 affords [((iPr)HPz2P(-))AlCl2] (2), where each of the electron- and proton-transfer events is ligand-centered. Protonation of 2 would formally close a catalytic cycle for dihydrogen production. At -1.26 V versus SCE, in a 0.3 M Bu4NPF6/tetrahydrofuran solution with salicylic acid or (HNEt3)(+) as the source of H(+), 1 produced dihydrogen electrocatalytically, according to cyclic voltammetry and controlled potential electrolysis experiments. The mechanism for the reaction is most likely two electron-transfer steps followed by two chemical steps based on the available reactivity information. A comparison of this work with our previously reported aluminum complexes of the phenyl-substituted bis(imino)pyridine system ((Ph)I2P) reveals that the pKa values of the N-donor atoms in (iPr)Pz2P are lower, which facilitates reduction before ligand protonation. In contrast, the (Ph)I2P ligand complexes of aluminum are protonated twice before reduction liberates dihydrogen.

  14. Evidence of ammonium ion-exchange properties of natural bentonite and application to ammonium detection.

    PubMed

    Zazoua, A; Kazane, I; Khedimallah, N; Dernane, C; Errachid, A; Jaffrezic-Renault, N

    2013-12-01

    Ammonium exchange with hybrid PVC-bentonite (mineral montmorillonite clay) thin film was revealed using FTIR spectroscopy, EDX, cyclic voltammetry and electrochemical impedance spectroscopy. The effect of ammonium exchange on the charge transfer resistance of PVC-bentonite hybrid thin film was attributed to a modification of the intersheet distance and hydration of bentonite crystals. The obtained impedimetric ammonium sensor shows a linear range of detection from 10(-4)M to 1M and a detection limit around 10(-6)M. © 2013.

  15. Using the hydrothermal method to grow p-type ZnO nanowires on Al-doped ZnO thin film to fabricate a homojunction diode.

    PubMed

    Tseng, Yung-Kuan; Hung, Meng-Chun; Su, Shun-Lung; Li, Sheng-Kai

    2014-10-01

    In this study, the hydrothermal method is used to grow phosphorus-doped ZnO nanowires on Si/SiO2 substrates deposited with Al-doped ZnO thin film. This structure forms a homogeneous p-n junction. In this study, we are the pioneers to use ammonium hypophosphite (NH4H2PO2) as a source of phosphorus to prepare the precursor solution. Ammonium hypophosphite of different concentration levels is used to observe its effects on the growth of nanowires. The results show that the precursor solution prepared from ammonium hypophosphite can produce good crystalline ZnO nanowires while there is no linear relationship between the amounts and concentration levels of phosphorus doped into the nanowires. Whether the phosphorus-doped ZnO nanowires have the characteristics of a p-type semiconductor is indirectly verified by measuring whether the p-n junction made up of Al-doped ZnO thin film and phosphorus-doped ZnO nanowires shows rectifying behavior. I-V measurements are made on the specimens. The results show good rectifying behavior, proving that the phosphorus-doped ZnO nanowires and Al-doped AZO films have p-type and n-type semiconductor properties, constituting a good p-n junction. This result also proves that ammonium hypophosphite is a better source of phosphorus in the hydrothermal method to synthesize phosphorus-doped ZnO nanowires.

  16. 21 CFR 573.170 - Ammonium formate.

    Code of Federal Regulations, 2014 CFR

    2014-04-01

    ..., FEEDS, AND RELATED PRODUCTS FOOD ADDITIVES PERMITTED IN FEED AND DRINKING WATER OF ANIMALS Food Additive... is manufactured by the reaction of 99.5 percent ammonia gas and 99 percent formic acid in a continuous loop reactor to produce a solution made up of 37 percent ammonium salt of formic acid and 62...

  17. 21 CFR 573.170 - Ammonium formate.

    Code of Federal Regulations, 2012 CFR

    2012-04-01

    ..., FEEDS, AND RELATED PRODUCTS FOOD ADDITIVES PERMITTED IN FEED AND DRINKING WATER OF ANIMALS Food Additive...) The additive is manufactured by the reaction of 99.5 percent ammonia gas and 99 percent formic acid in a continuous loop reactor to produce a solution made up of 37 percent ammonium salt of formic acid...

  18. 21 CFR 573.170 - Ammonium formate.

    Code of Federal Regulations, 2013 CFR

    2013-04-01

    ..., FEEDS, AND RELATED PRODUCTS FOOD ADDITIVES PERMITTED IN FEED AND DRINKING WATER OF ANIMALS Food Additive...) The additive is manufactured by the reaction of 99.5 percent ammonia gas and 99 percent formic acid in a continuous loop reactor to produce a solution made up of 37 percent ammonium salt of formic acid...

  19. 21 CFR 573.170 - Ammonium formate.

    Code of Federal Regulations, 2011 CFR

    2011-04-01

    ..., FEEDS, AND RELATED PRODUCTS FOOD ADDITIVES PERMITTED IN FEED AND DRINKING WATER OF ANIMALS Food Additive...) The additive is manufactured by the reaction of 99.5 percent ammonia gas and 99 percent formic acid in a continuous loop reactor to produce a solution made up of 37 percent ammonium salt of formic acid...

  20. 21 CFR 556.375 - Maduramicin ammonium.

    Code of Federal Regulations, 2012 CFR

    2012-04-01

    ... and Drugs FOOD AND DRUG ADMINISTRATION, DEPARTMENT OF HEALTH AND HUMAN SERVICES (CONTINUED) ANIMAL DRUGS, FEEDS, AND RELATED PRODUCTS TOLERANCES FOR RESIDUES OF NEW ANIMAL DRUGS IN FOOD Specific Tolerances for Residues of New Animal Drugs § 556.375 Maduramicin ammonium. A tolerance is established for...

  1. 21 CFR 556.375 - Maduramicin ammonium.

    Code of Federal Regulations, 2011 CFR

    2011-04-01

    ... and Drugs FOOD AND DRUG ADMINISTRATION, DEPARTMENT OF HEALTH AND HUMAN SERVICES (CONTINUED) ANIMAL DRUGS, FEEDS, AND RELATED PRODUCTS TOLERANCES FOR RESIDUES OF NEW ANIMAL DRUGS IN FOOD Specific Tolerances for Residues of New Animal Drugs § 556.375 Maduramicin ammonium. A tolerance is established for...

  2. Ambient Ammonium Contribution to total Nitrogen Deposition

    EPA Science Inventory

    There has been a wealth of evidence over the last decade illustrating the rising importance of reduced inorganic nitrogen (NHx = ammonia gas, NH3, plus particulate ammonium, p-NH4) in the overall atmospheric mass balance and deposition of nitrogen as emissions of oxidized nitrog...

  3. 21 CFR 184.1133 - Ammonium alginate.

    Code of Federal Regulations, 2013 CFR

    2013-04-01

    ...-34-9) is the ammonium salt of alginic acid, a natural polyuronide constituent of certain brown algae..., § 170.3(n)(9) of this chapter 0.4 Stabilizer, thickener, § 170.3(o)(28) of this chapter. Fats and...

  4. 21 CFR 184.1133 - Ammonium alginate.

    Code of Federal Regulations, 2012 CFR

    2012-04-01

    ...-34-9) is the ammonium salt of alginic acid, a natural polyuronide constituent of certain brown algae..., § 170.3(n)(9) of this chapter 0.4 Stabilizer, thickener, § 170.3(o)(28) of this chapter. Fats and...

  5. 21 CFR 184.1133 - Ammonium alginate.

    Code of Federal Regulations, 2010 CFR

    2010-04-01

    ...: Category of food Maximum level of use in food (as served) (percent) Functional use Confections, frostings... 21 Food and Drugs 3 2010-04-01 2009-04-01 true Ammonium alginate. 184.1133 Section 184.1133 Food and Drugs FOOD AND DRUG ADMINISTRATION, DEPARTMENT OF HEALTH AND HUMAN SERVICES (CONTINUED) FOOD...

  6. Diamond Head Revisited with Ammonium Dichromate.

    ERIC Educational Resources Information Center

    Arrigoni, Edward

    1981-01-01

    The classroom demonstration using ammonium dichromate to simulate a volcanic eruption can be modified into a more dramatic and accurate representation of the geologic processes involved in the formation of a volcanic crater. The materials, demonstration setup, safety procedures, and applications to instruction are presented. (Author/WB)

  7. Cyclo­hexyl­ammonium nitrate

    PubMed Central

    Bagabas, Abdulaziz A.; Aboud, Mohamed F. A.; Shemsi, Ahsan M.; Addurihem, Emad S.; Al-Othman, Zeid A.; Chidan Kumar, C. S.; Fun, Hoong-Kun

    2014-01-01

    In the title salt, C6H14N+·NO3 −, the cyclo­hexyl ring adopts a chair conformation. The ammonium group occupies an equatorial position and the crystal struture is stabilized by inter­molecular N—H⋯O hydrogen-bonding inter­actions, resulting in a three-dimensional network. PMID:24764971

  8. 21 CFR 184.1133 - Ammonium alginate.

    Code of Federal Regulations, 2011 CFR

    2011-04-01

    ...: Category of food Maximum level of use in food (as served) (percent) Functional use Confections, frostings... 21 Food and Drugs 3 2011-04-01 2011-04-01 false Ammonium alginate. 184.1133 Section 184.1133 Food and Drugs FOOD AND DRUG ADMINISTRATION, DEPARTMENT OF HEALTH AND HUMAN SERVICES (CONTINUED) FOOD...

  9. 21 CFR 184.1139 - Ammonium hydroxide.

    Code of Federal Regulations, 2010 CFR

    2010-04-01

    ... HUMAN CONSUMPTION (CONTINUED) DIRECT FOOD SUBSTANCES AFFIRMED AS GENERALLY RECOGNIZED AS SAFE Listing of... ingredient as generally recognized as safe (GRAS) as a direct human food ingredient is based upon the... 21 Food and Drugs 3 2010-04-01 2009-04-01 true Ammonium hydroxide. 184.1139 Section 184.1139...

  10. 21 CFR 184.1143 - Ammonium sulfate.

    Code of Federal Regulations, 2010 CFR

    2010-04-01

    ... 21 Food and Drugs 3 2010-04-01 2009-04-01 true Ammonium sulfate. 184.1143 Section 184.1143 Food and Drugs FOOD AND DRUG ADMINISTRATION, DEPARTMENT OF HEALTH AND HUMAN SERVICES (CONTINUED) FOOD FOR HUMAN CONSUMPTION (CONTINUED) DIRECT FOOD SUBSTANCES AFFIRMED AS GENERALLY RECOGNIZED AS SAFE Listing...

  11. 21 CFR 184.1133 - Ammonium alginate.

    Code of Federal Regulations, 2014 CFR

    2014-04-01

    ... 21 Food and Drugs 3 2014-04-01 2014-04-01 false Ammonium alginate. 184.1133 Section 184.1133 Food and Drugs FOOD AND DRUG ADMINISTRATION, DEPARTMENT OF HEALTH AND HUMAN SERVICES (CONTINUED) DIRECT FOOD SUBSTANCES AFFIRMED AS GENERALLY RECOGNIZED AS SAFE Listing of Specific Substances Affirmed as...

  12. 21 CFR 184.1139 - Ammonium hydroxide.

    Code of Federal Regulations, 2014 CFR

    2014-04-01

    ... 21 Food and Drugs 3 2014-04-01 2014-04-01 false Ammonium hydroxide. 184.1139 Section 184.1139 Food and Drugs FOOD AND DRUG ADMINISTRATION, DEPARTMENT OF HEALTH AND HUMAN SERVICES (CONTINUED) DIRECT FOOD SUBSTANCES AFFIRMED AS GENERALLY RECOGNIZED AS SAFE Listing of Specific Substances Affirmed as...

  13. 21 CFR 184.1135 - Ammonium bicarbonate.

    Code of Federal Regulations, 2014 CFR

    2014-04-01

    ... 21 Food and Drugs 3 2014-04-01 2014-04-01 false Ammonium bicarbonate. 184.1135 Section 184.1135 Food and Drugs FOOD AND DRUG ADMINISTRATION, DEPARTMENT OF HEALTH AND HUMAN SERVICES (CONTINUED) DIRECT FOOD SUBSTANCES AFFIRMED AS GENERALLY RECOGNIZED AS SAFE Listing of Specific Substances Affirmed as...

  14. 21 CFR 184.1137 - Ammonium carbonate.

    Code of Federal Regulations, 2014 CFR

    2014-04-01

    ... 21 Food and Drugs 3 2014-04-01 2014-04-01 false Ammonium carbonate. 184.1137 Section 184.1137 Food and Drugs FOOD AND DRUG ADMINISTRATION, DEPARTMENT OF HEALTH AND HUMAN SERVICES (CONTINUED) DIRECT FOOD SUBSTANCES AFFIRMED AS GENERALLY RECOGNIZED AS SAFE Listing of Specific Substances Affirmed as...

  15. Chemical Interaction Analysis of an Adhesive Containing 10-Methacryloyloxydecyl Dihydrogen Phosphate (10-MDP) With the Dentin in Noncarious Cervical Lesions.

    PubMed

    Oliveira, Bmb; Ulbaldini, Alm; Sato, F; Baesso, M L; Bento, A C; Andrade, Lhc; Lima, S M; Pascotto, R C

    2017-02-03

    The purpose of this study was to evaluate the chemical bonds of a self-etch 10-methacryloyloxydecyl dihydrogen phosphate (10-MDP) adhesive to natural noncarious cervical lesions (NCCLs) and compare them with those occurring in sclerotic dentin in artificially prepared defects (APDs). Four human teeth with natural NCCLs on the buccal surface were selected. Artificial defects matching the natural lesions were prepared on the lingual surface of the same teeth serving as control. Micro-Raman (MR) spectroscopy was used to quantify mineral content in natural NCCLs and in APDs. Fourier transform infrared-photoacoustic spectroscopy (FTIR-PAS) readouts were taken before and after adhesive application to analyze the protein matrix/mineral (M:M) ratio and chemical interactions between 10-MDP adhesive and dentin. The MR and FTIR-PAS spectra collected from natural NCCLs demonstrated a larger area of the band (961 cm(-1), PO4) and lower M:M ratio, respectively, characterizing a hypermineralized dentin, compared with APDs. FTIR-PAS demonstrated emergence of a peak (1179 cm(-1), P=O) in spectra after adhesive treatment, demonstrating a more intense chemical interaction in natural NCCLs. The results demonstrated that chemical bonding of 10-MDP adhesive to natural NCCLs is more intense, due to the hypermineralized surface, and suggest that it is unnecessary to remove the hypermineralized layer with burs, as this may decrease the chemical bonding potential of 10-MDP.

  16. Comparative studies of glycine added potassium dihydrogen phosphate single crystals grown by conventional and Sankaranaryanan-Ramasamy methods

    NASA Astrophysics Data System (ADS)

    Boopathi, K.; Rajesh, P.; Ramasamy, P.; Manyum, Prapun

    2013-03-01

    Glycine added potassium dihydrogen phosphate (KDP) crystals have been grown by slow evaporation solution technique, slow cooling along with seed rotation and Sankaranaryanan-Ramasamy (SR) method. The size of the grown crystal in slow cooling method was 35 × 25 × 20 mm3 and in SR method it was 20 mm in diameter and 110 mm in length. The grown crystals were subjected to powder X-ray diffraction, UV-Vis, thermal analysis, Vickers microhardness, dielectric, laser damage threshold, higher resolution X-ray diffraction (HRXRD) and nonlinear optical (NLO) studies. All the grown crystals have good transparency in the entire visible region. In order to determine mechanical strength of crystal, Vickers micro-hardness measurement was carried out. Dielectric study reveals higher dielectric constant and low dielectric loss for SR method grown crystal. High laser damage threshold was observed in SR method grown glycine added KDP crystal compared to SR method grown pure KDP crystal. The second harmonic efficiency of the glycine added KDP is increased compared to pure KDP.

  17. In vitro assessment of choline dihydrogen phosphate (CDHP) as a vehicle for recombinant human interleukin-2 (rhIL-2).

    PubMed

    Foureau, David M; Vrikkis, Regina M; Jones, Chase P; Weaver, Katherine D; Macfarlane, Douglas R; Salo, Jonathan C; McKillop, Iain H; Elliott, Gloria D

    2012-12-01

    Choline dihydrogen phosphate (CDHP) is an ionic liquid reported to increase thermal stability of model proteins. The current work investigated CDHP effect on structural integrity and biological activity of recombinant human interleukin-2 (rhIL-2), a therapeutic protein used for treating advanced melanoma. In vitro CDHP biocompatibility was also evaluated using primary cell cultures, or B16-F10 cell line, chronically exposed to the ionic liquid. Formulation of rhIL-2 in an aqueous 680mM CDHP pH 7.4 solution resulted in a 12.5°C increase in the Tm of rhIL-2 compared to a basic buffer formulation, and provided conformational rhIL-2 stabilization when the solution was heated to 23.3°C above the Tm. CDHP solutions (≤80mM), exhibited no cytotoxic activity toward primary splenocytes or B16-F10 cells in culture. However, a 10-fold loss in biological activity was observed when rhIL-2 was used in a 30mM CDHP aqueous solution with NaHCO3 (pH≥7.2) compared to controls without CDHP. While increased Tm is associated with a diminished rhIL-2 biological activity, the therapeutic protein remains structurally intact and functional.

  18. Scalable process for mitigation of laser-damaged potassium dihydrogen phosphate crystal optic surfaces with removal of damaged antireflective coating.

    PubMed

    Elhadj, S; Steele, W A; VanBlarcom, D S; Hawley, R A; Schaffers, K I; Geraghty, P

    2017-03-10

    We investigate an approach for the recycling of laser-damaged large-aperture deuterated potassium dihydrogen phosphate (DKDP) crystals used for optical switching (KDP) and for frequency conversion (DKDP) in megajoule-class high-power laser systems. The approach consists of micromachining the surface laser damage sites (mitigation), combined with multiple soaks and ultrasonication steps in a coating solvent to remove, synergistically, both the highly adherent machining debris and the laser-damage-affected antireflection coating. We identify features of the laser-damage-affected coating, such as the "solvent-persistent" coating and the "burned-in" coating, that are difficult to remove by conventional approaches without damaging the surface. We also provide a solution to the erosion problem identified in this work when colloidal coatings are processed during ultrasonication. Finally, we provide a proof of principle of the approach by testing the full process that includes laser damage mitigation of DKDP test parts, coat stripping, reapplication of a new antireflective coat, and a laser damage test demonstrating performance up to at least 12  J/cm2 at UV wavelengths, which is well above current requirements. This approach ultimately provides a potential path to a scalable recycling loop for the management of optics in large, high-power laser systems that can reduce cost and extend lifetime of highly valuable and difficult to grow large DKDP crystals.

  19. Scalable process for mitigation of laser-damaged potassium dihydrogen phosphate crystal optic surfaces with removal of damaged antireflective coating

    DOE PAGES

    Elhadj, S.; Steele, W. A.; VanBlarcom, D. S.; ...

    2017-03-07

    Here, we investigate an approach for the recycling of laser-damaged large-aperture deuterated potassium dihydrogen phosphate (DKDP) crystals used for optical switching (KDP) and for frequency conversion (DKDP) in megajoule-class high-power laser systems. The approach consists of micromachining the surface laser damage sites (mitigation), combined with multiple soaks and ultrasonication steps in a coating solvent to remove, synergistically, both the highly adherent machining debris and the laser-damage-affected antireflection coating. We then identify features of the laser-damage-affected coating, such as the “solvent-persistent” coating and the “burned-in” coating, that are difficult to remove by conventional approaches without damaging the surface. We also providemore » a solution to the erosion problem identified in this work when colloidal coatings are processed during ultrasonication. Finally, we provide a proof of principle of the approach by testing the full process that includes laser damage mitigation of DKDP test parts, coat stripping, reapplication of a new antireflective coat, and a laser damage test demonstrating performance up to at least 12 J/cm2 at UV wavelengths, which is well above current requirements. Our approach ultimately provides a potential path to a scalable recycling loop for the management of optics in large, high-power laser systems that can reduce cost and extend lifetime of highly valuable and difficult to grow large DKDP crystals.« less

  20. The covalent interaction between dihydrogen and gold: A rotational spectroscopic study of H2-AuCl

    NASA Astrophysics Data System (ADS)

    Obenchain, Daniel A.; Frank, Derek S.; Grubbs, G. S.; Pickett, Herbert M.; Novick, Stewart E.

    2017-05-01

    The pure rotational transitions of H2-AuCl have been measured using a pulsed-jet cavity Fourier transform microwave spectrometer equipped with a laser ablation source. The structure was found to be T-shaped, with the H-H bond interacting with the gold atom. Both 35Cl and 37Cl isotopologues have been measured for both ortho and para states of H2. Rotational constants, quartic centrifugal distortion constants, and nuclear quadrupole coupling constants for gold and chlorine have been determined. The use of the nuclear spin-nuclear spin interaction terms Daa, Dbb, and Dcc for H2 were required to fit the ortho state of hydrogen, as well as a nuclear-spin rotation constant Caa. The values of the nuclear quadrupole coupling constant of gold are χa a=-817.9929 (35 ) MHz, χb b=504.0 (27 ) MHz, and χc c=314.0 (27 ) . This is large compared to the eQq of AuCl, 9.63 312(13) MHz, which indicates a strong, covalent interaction between gold and dihydrogen.

  1. Dual gas-diffusion membrane- and mediatorless dihydrogen/air-breathing biofuel cell operating at room temperature

    NASA Astrophysics Data System (ADS)

    Xia, Hong-qi; So, Keisei; Kitazumi, Yuki; Shirai, Osamu; Nishikawa, Koji; Higuchi, Yoshiki; Kano, Kenji

    2016-12-01

    A membraneless direct electron transfer (DET)-type dihydrogen (H2)/air-breathing biofuel cell without any mediator was constructed wherein bilirubin oxidase from Myrothecium verrucaria (BOD) and membrane-bound [NiFe] hydrogenase from Desulfovibrio vulgaris Miyazaki F (MBH) were used as biocatalysts for the cathode and the anode, respectively, and Ketjen black-modified water proof carbon paper (KB/WPCC) was used as an electrode material. The KB/WPCC surface was modified with 2-aminobenzoic acid and p-phenylenediamine, respectively, to face the positively charged electron-accepting site of BOD and the negatively charged electron-donating site of MBH to the electrode surface. A gas-diffusion system was employed for the electrodes to realize high-speed substrate supply. As result, great improvement in the current density of O2 reduction with BOD and H2 reduction with MBH were realized at negatively and postively charged surfaces, respectively. Gas diffusion system also suppressed the oxidative inactivation of MBH at high electrode potentials. Finally, based on the improved bioanode and biocathode, a dual gas-diffusion membrane- and mediatorless H2/air-breathing biofuel cell was constructed. The maximum power density reached 6.1 mW cm-2 (at 0.72 V), and the open circuit voltage was 1.12 V using 1 atm of H2 gas as a fuel at room temperature and under passive and quiescent conditions.

  2. Influence of the Homopolar Dihydrogen Bonding C-H⋅⋅⋅H-C on Coordination Geometry: Experimental and Theoretical Studies.

    PubMed

    Safin, Damir A; Babashkina, Maria G; Robeyns, Koen; Mitoraj, Mariusz P; Kubisiak, Piotr; Garcia, Yann

    2015-11-09

    The reaction of the N-thiophosphorylated thiourea (HOCH2 )(Me)2 CNHC(S)NHP(S)(OiPr)2 (HL), deprotonated by the thiophosphorylamide group, with NiCl2 leads to green needles of the pseudotetrahedral complex [Ni(L-1,5-S,S')2 ]⋅0.5 (n-C6 H14 ) or pale green blocks of the trans square-planar complex trans-[Ni(L-1,5-S,S')2 ]. The former complex is stabilized by homopolar dihydrogen C-H⋅⋅⋅H-C interactions formed by n-hexane solvent molecules with the [Ni(L-1,5-S,S')2 ] unit. Furthermore, the dispersion-dominated C-H⋅⋅⋅ H-C interactions are, together with other noncovalent interactions (C-H⋅⋅⋅N, C-H⋅⋅⋅Ni, C-H⋅⋅⋅S), responsible for pseudotetrahedral coordination around the Ni(II) center in [Ni(L-1,5-S,S')2 ]⋅0.5 (n-C6 H14 ).

  3. Magic-angle-spinning 31P NMR spectra of solid dihydrogen phosphates. Comparison of ordered and dynamically disordered compounds.

    PubMed

    Lagier, C M; Olivieri, A C; Apperley, D C; Harris, R K

    1992-11-01

    High-resolution 31P NMR spectra are reported for several dihydrogen phosphates in the solid state. Shielding tensor components were retrieved by analysis of the sideband intensities. The results, together with previously published data, can be grouped according to the presence and type of proton exchange occurring in the crystals. Static MH2PO4 samples (M = Na, Li) show a shielding anisotropy delta sigma of approximately 120 ppm. In the case of M = Cs (one static P-OH bond and two oxygens attached to "half" hydrogens on the average) delta sigma is smaller (approximately 75 ppm) and can be understood in terms of the accepted, proton-exchange model. For highly disordered samples (M = K, NH4, Rb), where all four oxygens have nearby hydrogens with 50% occupancy, delta sigma is even smaller (approximately 30 ppm) but not zero. In the last-mentioned cases, 31P NMR information suggests that local PO4 environments may not have the symmetry that could be expected on the basis of the known crystal structures.

  4. In vitro assessment of choline dihydrogen phosphate (CDHP) as a vehicle for recombinant human interleukin-2 (rhIL-2)

    PubMed Central

    Foureau, David M.; Vrikkis, Regina M.; Jones, Chase P.; Weaver, Katherine D.; MacFarlane, Douglas R.; Salo, Jonathan C.; McKillop, Iain H.; Elliott, Gloria D.

    2013-01-01

    Choline dihydrogen phosphate (CDHP) is an ionic liquid reported to increase thermal stability of model proteins. The current work investigated CDHP effect on structural integrity and biological activity of recombinant human interleukin-2 (rhIL-2), a therapeutic protein used for treating advanced melanoma. In vitro CDHP biocompatibility was also evaluated using primary cell cultures, or B16-F10 cell line, chronically exposed to the ionic liquid. Formulation of rhIL-2 in an aqueous 680mM CDHP pH 7.4 solution resulted in a 12.5°C increase in the Tm of rhIL-2 compared to a basic buffer formulation, and provided conformational rhIL-2 stabilization when the solution was heated to 23.3°C above the Tm. CDHP solutions (≤80mM), exhibited no cytotoxic activity toward primary splenocytes or B16-F10 cells in culture. However, a 10-fold loss in biological activity was observed when rhIL-2 was used in a 30mM CDHP aqueous solution with NaHCO3 (pH≥7.2) compared to controls without CDHP. While increased Tm is associated with a diminished rhIL-2 biological activity, the therapeutic protein remains structurally intact and functional. PMID:24504148

  5. Synthesis, growth, structure, mechanical and optical properties of a new semi-organic 2-methyl imidazolium dihydrogen phosphate single crystal

    SciTech Connect

    Nagapandiselvi, P.; Baby, C.; Gopalakrishnan, R.

    2016-09-15

    Highlights: • 2MIDP crystals were grown by slow evaporation solution growth technique. • Single crystal XRD revealed self-assembled supramolecular framework. • Z scan technique is employed for third order nonlinear optical susceptibility. • Structure-property correlation is established. - Abstract: A new semi-organic compound, 2-methyl imidazolium dihydrogen phosphate (2MIDP), was prepared and good quality single crystals of 2MIDP were grown by slow evaporation solution growth technique. Crystal structure elucidated using Single crystal XRD showed that 2MIDP crystallizes in monoclinic system with P2{sub 1}/c space group. FT-IR, UV-Vis-NIR, Fluorescence and FT-NMR spectra confirm the molecular structure of 2MIDP. The UV-Vis-NIR spectra established the suitability of the compound for NLO applications. TG-DSC showed that 2MIDP is thermally stable up to 200 °C. Mechanical characteristics like hardness number (H{sub v}), stiffness constant (C{sub 11}), yield strength (σ{sub v}), fracture toughness (K{sub c}) and brittleness index (B{sub i}) were assessed using Vicker’s microhardness tester. Third order nonlinear optical properties determined from Z-scan measurement using femto and picosecond lasers showed two photon reverse saturable absorption. The enhancement of nonlinear optical properties in femto second laser, revealed the suitability of 2MIDP for optical limiting applications.

  6. PRN 88-2: Clustering of Quaternary Ammonium Compounds

    EPA Pesticide Factsheets

    This Notice announces that EPA has clustered the Quaternary Ammonium Compounds into four groups for the purpose of testing chemicals to build a database that will support continued registration of the entire family of quaternary ammonium compounds

  7. 21 CFR 184.1296 - Ferric ammonium citrate.

    Code of Federal Regulations, 2014 CFR

    2014-04-01

    ... granules or as a brownish-yellowish powder. (2) Ferric ammonium citrate (iron (III) ammonium citrate, CAS... granules, as a powder, or as transparent green crystals. (b) The ingredients meet the specifications of the...

  8. Pore mutations in ammonium transporter AMT1 with increased electrogenic ammonium transport activity.

    PubMed

    Loqué, Dominique; Mora, Silvia I; Andrade, Susana L A; Pantoja, Omar; Frommer, Wolf B

    2009-09-11

    AMT/Mep ammonium transporters mediate high affinity ammonium/ammonia uptake in bacteria, fungi, and plants. The Arabidopsis AMT1 proteins mediate uptake of the ionic form of ammonium. AMT transport activity is controlled allosterically via a highly conserved cytosolic C terminus that interacts with neighboring subunits in a trimer. The C terminus is thus capable of modulating the conductivity of the pore. To gain insight into the underlying mechanism, pore mutants suppressing the inhibitory effect of mutations in the C-terminal trans-activation domain were characterized. AMT1;1 carrying the mutation Q57H in transmembrane helix I (TMH I) showed increased ammonium uptake but reduced capacity to take up methylammonium. To explore whether the transport mechanism was altered, the AMT1;1-Q57H mutant was expressed in Xenopus oocytes and analyzed electrophysiologically. AMT1;1-Q57H was characterized by increased ammonium-induced and reduced methylammonium-induced currents. AMT1;1-Q57H possesses a 100x lower affinity for ammonium (K(m)) and a 10-fold higher V(max) as compared with the wild type form. To test whether the trans-regulatory mechanism is conserved in archaeal homologs, AfAmt-2 from Archaeoglobus fulgidus was expressed in yeast. The transport function of AfAmt-2 also depends on trans-activation by the C terminus, and mutations in pore-residues corresponding to Q57H of AMT1;1 suppress nonfunctional AfAmt-2 mutants lacking the activating C terminus. Altogether, our data suggest that bacterial and plant AMTs use a conserved allosteric mechanism to control ammonium flux, potentially using a gating mechanism that limits flux to protect against ammonium toxicity.

  9. Electrical conductivity studies on Ammonium bromide incorporated with Zwitterionic polymer blend electrolyte for battery application

    NASA Astrophysics Data System (ADS)

    Parameswaran, V.; Nallamuthu, N.; Devendran, P.; Nagarajan, E. R.; Manikandan, A.

    2017-06-01

    Solid polymer blend electrolytes are widely studied due to their extensive applications particularly in electrochemical devices. Blending polymer makes the thermal stability, higher mechanical strength and inorganic salt provide ionic charge carrier to enhance the conductivity. In these studies, 50% polyvinyl alcohol (PVA), 50% poly (N-vinyl pyrrolidone) (PVP) and 2.5% L-Asparagine mixed with different ratio of the Ammonium bromide (NH4Br), have been synthesized using solution casting technique. The prepared PVA/PVP/L-Asparagine/doped-NH4Br polymer blend electrolyte films have been characterized by various analytical methods such as FT-IR, XRD, impedance spectroscopy, TG-DSC and scanning electron microscopy. FT-IR, XRD and TG/DSC analysis revealed the structural and thermal behavior of the complex formation between PVA/PVP/L-Asparagine/doped-NH4Br. The ionic conductivity and the dielectric properties of PVA/PVP/L-Asparagine/doped-NH4Br polymer blend electrolyte films were examined using impedance analysis. The highest ionic conductivity was found to be 2.34×10-4 S cm-1 for the m.wt. composition of 50%PVA:50%PVP:2.5%L-Asparagine:doped 0.15 g NH4Br at ambient temperature. Solid state proton battery is fabricated and the observed open circuit voltage is 1.1 V and its performance has been studied.

  10. Fluxionality and Isomerism of the Bis(dihydrogen) Complex RuH(2)(H(2))(2)(PCy(3))(2): INS, NMR, and Theoretical Studies.

    PubMed

    Rodriguez, Venancio; Sabo-Etienne, Sylviane; Chaudret, Bruno; Thoburn, John; Ulrich, Stefan; Limbach, Hans-Heinrich; Eckert, Juergen; Barthelat, Jean-Claude; Hussein, Khansaa; Marsden, Colin J.

    1998-07-13

    To study the fluxionality of the bis(dihydrogen) complex RuH(2)(H(2))(2)(PCy(3))(2) (1), NMR spectra were recorded in Freons (mixture of CDCl(3), CDFCl(2), and CDF(2)Cl). 1 was found to remain fluxional at all temperatures, but the presence of CDCl(3) necessary for its solubilization induces its transformation into, first, RuHCl(H(2))(2)(PCy(3))(2) (3) and the new ruthenium(IV) dihydride RuH(2)Cl(2)(PCy(3))(2) (4). 4 is produced selectively in pure CDCl(3) but reacts further to give a mixture of chloro complexes. 4 was isolated from the reaction of 1 with aqueous HCl in Et(2)O and shows a fluxional process attributed to the interconversion between two symmetrical isomers. The activation parameters of this process were obtained by (1)H NMR line shape analysis, as well as those corresponding to the exchange between 3 and free dihydrogen. The fluxionality of the dihydrogen-hydride system is also evident at a much faster time scale than that of NMR studies in the inelastic neutron scattering observations of the rotation of the dihydrogen ligands. The geometries and relative energies of several isomers of complexes 1, 3, and 4 were studied using density functional theory (DFT) and MP2 methods, together with a few coupled-cluster (CCSD(T)) calculations. In contrast to what might have been expected, the two hydrides and the two H(2) units of 1 lie in the same plane, due to the attractive "cis effect" created by the hydrides. The two H(2) ligands adopt cis positions in the lowest-energy isomer. Rotation of the two dihydrogen ligands has been analyzed using DFT calculations. A slight preference for a C(2) conrotatory pathway has been found with a calculated barrier in good agreement with the experimental INS value. Two low-energy isomers of 4 have been characterized computationally, both of which have C(2)(v)() symmetry, consistent with the solution NMR spectra.

  11. Contribution of ammonium ions to the lethality and antimetamorphic effects of ammonium perchlorate.

    PubMed

    Goleman, Wanda L; Carr, James A

    2006-04-01

    Ammonium perchlorate (AP) is a widespread military waste product in the United States and is a potent thyroid function disruptor in all vertebrates tested thus far. To determine the relative contribution of ammonium ions to the toxicity of AP, we exposed embryonic and larval Xenopus laevis to various concentrations of sodium perchlorate (SP) or ammonium chloride (AC). Ammonium perchlorate was significantly more lethal than SP; 5-d LC50s were 83 and 2,780 mg/L, respectively. To determine whether ammonium ions contribute to the antithyroid effects of AP, we exposed embryonic and larval X. laevis to two sublethal, environmentally relevant concentrations of AP or identical concentrations of AC or SP. At the smaller concentration, only AP delayed metamorphosis and reduced hindlimb growth. Sodium perchlorate and AP, but not AC, prevented metamorphosis and reduced hindlimb growth at the greater concentration. Although AP was slightly more effective in reducing outward manifestations of thyroid disruption, both perchlorate salts, unlike AC, caused profound histopathologic changes in the thyroid. Exposure to the higher concentration of either perchlorate salt produced a feminizing effect, resulting in a skewed sex ratio. We conclude that ammonium ions contribute significantly to the toxicity of AP but not to the direct antithyroid effects of perchlorate.

  12. The psychology of doping.

    PubMed

    Elbe, Anne-Marie; Barkoukis, Vassilis

    2017-08-01

    Doping is increasingly becoming a problem in both elite and recreational sports. It is therefore important to understand the psychological factors which can explain doping behavior in order to prevent it. The present paper briefly presents evidence on the prevalence of doping use in competitive sports and the measurement approaches to assess doping behavior and doping-related variables. Furthermore, the integrative theoretical approaches used to describe the psychological processes underlying doping use are discussed. Finally, the paper provides suggestions for appropriate measurement of doping behavior and doping-related variables, key preventive efforts against doping as well as avenues for future research. Copyright © 2017 Elsevier Ltd. All rights reserved.

  13. 21 CFR 172.430 - Iron ammonium citrate.

    Code of Federal Regulations, 2014 CFR

    2014-04-01

    ... 21 Food and Drugs 3 2014-04-01 2014-04-01 false Iron ammonium citrate. 172.430 Section 172.430... ADDITIVES PERMITTED FOR DIRECT ADDITION TO FOOD FOR HUMAN CONSUMPTION Anticaking Agents § 172.430 Iron ammonium citrate. Iron ammonium citrate may be safely used in food in accordance with the following...

  14. 40 CFR 721.10582 - Quaternary ammonium compound (generic).

    Code of Federal Regulations, 2014 CFR

    2014-07-01

    ... 40 Protection of Environment 31 2014-07-01 2014-07-01 false Quaternary ammonium compound (generic... Specific Chemical Substances § 721.10582 Quaternary ammonium compound (generic). (a) Chemical substance and... ammonium compound (PMN P-10-571) is subject to reporting under this section for the significant new...

  15. 40 CFR 721.10591 - Tertiary ammonium compound (generic).

    Code of Federal Regulations, 2014 CFR

    2014-07-01

    ... 40 Protection of Environment 31 2014-07-01 2014-07-01 false Tertiary ammonium compound (generic... Specific Chemical Substances § 721.10591 Tertiary ammonium compound (generic). (a) Chemical substance and... ammonium compound (PMN P-11-110) is subject to reporting under this section for the significant new...

  16. 40 CFR 721.10582 - Quaternary ammonium compound (generic).

    Code of Federal Regulations, 2013 CFR

    2013-07-01

    ... 40 Protection of Environment 32 2013-07-01 2013-07-01 false Quaternary ammonium compound (generic... Specific Chemical Substances § 721.10582 Quaternary ammonium compound (generic). (a) Chemical substance and... ammonium compound (PMN P-10-571) is subject to reporting under this section for the significant new...

  17. 40 CFR 721.10591 - Tertiary ammonium compound (generic).

    Code of Federal Regulations, 2013 CFR

    2013-07-01

    ... 40 Protection of Environment 32 2013-07-01 2013-07-01 false Tertiary ammonium compound (generic... Specific Chemical Substances § 721.10591 Tertiary ammonium compound (generic). (a) Chemical substance and... ammonium compound (PMN P-11-110) is subject to reporting under this section for the significant new...

  18. A new potentiometric ammonium electrode for biosensor construction.

    PubMed

    Karakuş, Emine; Pekyardimci, Sule; Kiliç, Esma

    2006-01-01

    New ammonium-selective membrane electrode based on poly(vinyl chloride) (PVC) membrane containing palmitic acid (a long-chain fatty acid) and nonactin as an ammonium ionophore for the determination of ammonium ions in the 10(-7) - 10(-1) mol/L concentration range was prepared and compared to those of the electrode prepared by using carboxylated PVC. Sebacate was used as a plasticiser for both of the ammonium sensor membranes. The analytical characteristics of the ammonium electrodes was investigated. The effect of pH, buffer concentration, temperature and stirring rate on the response to ammonium electrode was investigated. The linear working range and sensitivity of the electrodes were also determined. Ammonium electrodes give Nernstian response (52-58 mV/p[NH4+]) throughout the ammonium ion concentration range of 10(-1) to 10(-6)M with detection limits of 10(-6)M ammonium ions. The ammonium-selective electrodes prepared by using the PVC membranes containing palmitic acid showed more effective performance than those of the carboxylated PVC. The ammonium ion sensor has potential application in the analysis of ammonium ions for biosensor construction.

  19. 21 CFR 182.1127 - Aluminum ammonium sulfate.

    Code of Federal Regulations, 2010 CFR

    2010-04-01

    ... 21 Food and Drugs 3 2010-04-01 2009-04-01 true Aluminum ammonium sulfate. 182.1127 Section 182.1127 Food and Drugs FOOD AND DRUG ADMINISTRATION, DEPARTMENT OF HEALTH AND HUMAN SERVICES (CONTINUED... Food Substances § 182.1127 Aluminum ammonium sulfate. (a) Product. Aluminum ammonium sulfate. (b...

  20. 21 CFR 182.1127 - Aluminum ammonium sulfate.

    Code of Federal Regulations, 2012 CFR

    2012-04-01

    ... 21 Food and Drugs 3 2012-04-01 2012-04-01 false Aluminum ammonium sulfate. 182.1127 Section 182.1127 Food and Drugs FOOD AND DRUG ADMINISTRATION, DEPARTMENT OF HEALTH AND HUMAN SERVICES (CONTINUED... Food Substances § 182.1127 Aluminum ammonium sulfate. (a) Product. Aluminum ammonium sulfate. (b...

  1. 21 CFR 182.1127 - Aluminum ammonium sulfate.

    Code of Federal Regulations, 2014 CFR

    2014-04-01

    ... 21 Food and Drugs 3 2014-04-01 2014-04-01 false Aluminum ammonium sulfate. 182.1127 Section 182...) SUBSTANCES GENERALLY RECOGNIZED AS SAFE Multiple Purpose GRAS Food Substances § 182.1127 Aluminum ammonium sulfate. (a) Product. Aluminum ammonium sulfate. (b) Conditions of use. This substance is generally...

  2. 21 CFR 582.1127 - Aluminum ammonium sulfate.

    Code of Federal Regulations, 2014 CFR

    2014-04-01

    ... 21 Food and Drugs 6 2014-04-01 2014-04-01 false Aluminum ammonium sulfate. 582.1127 Section 582.1127 Food and Drugs FOOD AND DRUG ADMINISTRATION, DEPARTMENT OF HEALTH AND HUMAN SERVICES (CONTINUED... Additives § 582.1127 Aluminum ammonium sulfate. (a) Product. Aluminum ammonium sulfate. (b) Conditions of...

  3. 21 CFR 582.1127 - Aluminum ammonium sulfate.

    Code of Federal Regulations, 2011 CFR

    2011-04-01

    ... 21 Food and Drugs 6 2011-04-01 2011-04-01 false Aluminum ammonium sulfate. 582.1127 Section 582.1127 Food and Drugs FOOD AND DRUG ADMINISTRATION, DEPARTMENT OF HEALTH AND HUMAN SERVICES (CONTINUED... Additives § 582.1127 Aluminum ammonium sulfate. (a) Product. Aluminum ammonium sulfate. (b) Conditions of...

  4. 21 CFR 582.1127 - Aluminum ammonium sulfate.

    Code of Federal Regulations, 2013 CFR

    2013-04-01

    ... 21 Food and Drugs 6 2013-04-01 2013-04-01 false Aluminum ammonium sulfate. 582.1127 Section 582.1127 Food and Drugs FOOD AND DRUG ADMINISTRATION, DEPARTMENT OF HEALTH AND HUMAN SERVICES (CONTINUED... Additives § 582.1127 Aluminum ammonium sulfate. (a) Product. Aluminum ammonium sulfate. (b) Conditions of...

  5. 21 CFR 582.1127 - Aluminum ammonium sulfate.

    Code of Federal Regulations, 2012 CFR

    2012-04-01

    ... 21 Food and Drugs 6 2012-04-01 2012-04-01 false Aluminum ammonium sulfate. 582.1127 Section 582.1127 Food and Drugs FOOD AND DRUG ADMINISTRATION, DEPARTMENT OF HEALTH AND HUMAN SERVICES (CONTINUED... Additives § 582.1127 Aluminum ammonium sulfate. (a) Product. Aluminum ammonium sulfate. (b) Conditions of...

  6. 21 CFR 582.1127 - Aluminum ammonium sulfate.

    Code of Federal Regulations, 2010 CFR

    2010-04-01

    ... 21 Food and Drugs 6 2010-04-01 2010-04-01 false Aluminum ammonium sulfate. 582.1127 Section 582.1127 Food and Drugs FOOD AND DRUG ADMINISTRATION, DEPARTMENT OF HEALTH AND HUMAN SERVICES (CONTINUED... Additives § 582.1127 Aluminum ammonium sulfate. (a) Product. Aluminum ammonium sulfate. (b) Conditions of...

  7. 21 CFR 182.1127 - Aluminum ammonium sulfate.

    Code of Federal Regulations, 2013 CFR

    2013-04-01

    ... 21 Food and Drugs 3 2013-04-01 2013-04-01 false Aluminum ammonium sulfate. 182.1127 Section 182.1127 Food and Drugs FOOD AND DRUG ADMINISTRATION, DEPARTMENT OF HEALTH AND HUMAN SERVICES (CONTINUED... Food Substances § 182.1127 Aluminum ammonium sulfate. (a) Product. Aluminum ammonium sulfate. (b...

  8. 21 CFR 182.1127 - Aluminum ammonium sulfate.

    Code of Federal Regulations, 2011 CFR

    2011-04-01

    ... 21 Food and Drugs 3 2011-04-01 2011-04-01 false Aluminum ammonium sulfate. 182.1127 Section 182.1127 Food and Drugs FOOD AND DRUG ADMINISTRATION, DEPARTMENT OF HEALTH AND HUMAN SERVICES (CONTINUED... Food Substances § 182.1127 Aluminum ammonium sulfate. (a) Product. Aluminum ammonium sulfate. (b...

  9. 78 FR 32690 - Certain Ammonium Nitrate From Ukraine

    Federal Register 2010, 2011, 2012, 2013, 2014

    2013-05-31

    ... COMMISSION Certain Ammonium Nitrate From Ukraine Determination On the basis of the record \\1\\ developed in... antidumping duty order on certain ammonium nitrate from Ukraine would be likely to lead to continuation or... Publication 4396 (May 2013), entitled Certain Ammonium Nitrate from Ukraine: Investigation No....

  10. 40 CFR 721.10511 - Quaternary ammonium salts (generic).

    Code of Federal Regulations, 2013 CFR

    2013-07-01

    ... 40 Protection of Environment 32 2013-07-01 2013-07-01 false Quaternary ammonium salts (generic... Specific Chemical Substances § 721.10511 Quaternary ammonium salts (generic). (a) Chemical substance and... ammonium salts (PMNs P-07-320, P-07-321, P-07-322, P-07-323, and P-07-324) are subject to reporting...

  11. 40 CFR 721.10430 - Tetra alkyl ammonium salt (generic).

    Code of Federal Regulations, 2014 CFR

    2014-07-01

    ... 40 Protection of Environment 31 2014-07-01 2014-07-01 false Tetra alkyl ammonium salt (generic... Specific Chemical Substances § 721.10430 Tetra alkyl ammonium salt (generic). (a) Chemical substance and... ammonium salt (PMN P-97-823) is subject to reporting under this section for the significant new...

  12. 40 CFR 721.10511 - Quaternary ammonium salts (generic).

    Code of Federal Regulations, 2014 CFR

    2014-07-01

    ... 40 Protection of Environment 31 2014-07-01 2014-07-01 false Quaternary ammonium salts (generic... Specific Chemical Substances § 721.10511 Quaternary ammonium salts (generic). (a) Chemical substance and... ammonium salts (PMNs P-07-320, P-07-321, P-07-322, P-07-323, and P-07-324) are subject to reporting...

  13. 40 CFR 721.10430 - Tetra alkyl ammonium salt (generic).

    Code of Federal Regulations, 2013 CFR

    2013-07-01

    ... 40 Protection of Environment 32 2013-07-01 2013-07-01 false Tetra alkyl ammonium salt (generic... Specific Chemical Substances § 721.10430 Tetra alkyl ammonium salt (generic). (a) Chemical substance and... ammonium salt (PMN P-97-823) is subject to reporting under this section for the significant new...

  14. Electricity production coupled to ammonium in a microbial fuel cell.

    PubMed

    He, Zhen; Kan, Jinjun; Wang, Yanbing; Huang, Yuelong; Mansfeld, Florian; Nealson, Kenneth H

    2009-05-01

    The production of electricity from ammonium was examined using a rotating-cathode microbial fuel cell (MFC). The addition of ammonium chloride, ammonium sulfate, or ammonium phosphate (monobasic) resulted in electricity generation, while adding sodium chloride, nitrate, or nitrite did not cause any increase in current production. The peak current increased with increasing amount of ammonium addition up to 62.3 mM of ammonium chloride, suggesting that ammonium was involved in electricity generation either directly as the anodic fuel or indirectly as substrates for nitrifiers to produce organic compounds for heterotrophs. Adding nitrate or nitrite with ammonium increased current production compared to solely ammonium addition. Using 16S rRNA-linked molecular analyses, we found ammonium-oxidizing bacteria and denitrifying bacteria on both the anode and cathode electrodes, whereas no anammox bacteria were detected. The dominant ammonium-oxidizing bacteria were closely related to Nitrosomonas europaea. The present MFC achieved an ammonium removal efficiency of 49.2 +/- 5.9 or 69.7 +/- 3.6%, depending on hydraulic retention time, but exhibited a very low Coulombic efficiency.

  15. 21 CFR 184.1141a - Ammonium phosphate, monobasic.

    Code of Federal Regulations, 2013 CFR

    2013-04-01

    ... 21 Food and Drugs 3 2013-04-01 2013-04-01 false Ammonium phosphate, monobasic. 184.1141a Section... SAFE Listing of Specific Substances Affirmed as GRAS § 184.1141a Ammonium phosphate, monobasic. (a) Ammonium phosphate, monobasic (NH4H2PO4, CAS Reg. No. 7722-76-1) is manufactured by reacting ammonia with...

  16. 21 CFR 184.1141a - Ammonium phosphate, monobasic.

    Code of Federal Regulations, 2012 CFR

    2012-04-01

    ... 21 Food and Drugs 3 2012-04-01 2012-04-01 false Ammonium phosphate, monobasic. 184.1141a Section... SAFE Listing of Specific Substances Affirmed as GRAS § 184.1141a Ammonium phosphate, monobasic. (a) Ammonium phosphate, monobasic (NH4H2PO4, CAS Reg. No. 7722-76-1) is manufactured by reacting ammonia with...

  17. 21 CFR 184.1141a - Ammonium phosphate, monobasic.

    Code of Federal Regulations, 2010 CFR

    2010-04-01

    ... 21 Food and Drugs 3 2010-04-01 2009-04-01 true Ammonium phosphate, monobasic. 184.1141a Section... SAFE Listing of Specific Substances Affirmed as GRAS § 184.1141a Ammonium phosphate, monobasic. (a) Ammonium phosphate, monobasic (NH4H2PO4, CAS Reg. No. 7722-76-1) is manufactured by reacting ammonia with...

  18. 40 CFR 721.10302 - Zinc ammonium phosphate (generic).

    Code of Federal Regulations, 2012 CFR

    2012-07-01

    ... 40 Protection of Environment 32 2012-07-01 2012-07-01 false Zinc ammonium phosphate (generic). 721... Substances § 721.10302 Zinc ammonium phosphate (generic). (a) Chemical substance and significant new uses subject to reporting. (1) The chemical substance identified generically as zinc ammonium phosphate (PMN P...

  19. 21 CFR 184.1141b - Ammonium phosphate, dibasic.

    Code of Federal Regulations, 2013 CFR

    2013-04-01

    ... 21 Food and Drugs 3 2013-04-01 2013-04-01 false Ammonium phosphate, dibasic. 184.1141b Section 184... Listing of Specific Substances Affirmed as GRAS § 184.1141b Ammonium phosphate, dibasic. (a) Ammonium phosphate, dibasic ((NH4)2HPO4, CAS Reg. No. 7783-28-0) is manufactured by reacting ammonia with phosphoric...

  20. 40 CFR 721.10302 - Zinc ammonium phosphate (generic).

    Code of Federal Regulations, 2013 CFR

    2013-07-01

    ... 40 Protection of Environment 32 2013-07-01 2013-07-01 false Zinc ammonium phosphate (generic). 721... Substances § 721.10302 Zinc ammonium phosphate (generic). (a) Chemical substance and significant new uses subject to reporting. (1) The chemical substance identified generically as zinc ammonium phosphate (PMN P...

  1. 21 CFR 184.1141b - Ammonium phosphate, dibasic.

    Code of Federal Regulations, 2010 CFR

    2010-04-01

    ... 21 Food and Drugs 3 2010-04-01 2009-04-01 true Ammonium phosphate, dibasic. 184.1141b Section 184... Listing of Specific Substances Affirmed as GRAS § 184.1141b Ammonium phosphate, dibasic. (a) Ammonium phosphate, dibasic ((NH4)2HPO4, CAS Reg. No. 7783-28-0) is manufactured by reacting ammonia with phosphoric...

  2. 21 CFR 184.1141a - Ammonium phosphate, monobasic.

    Code of Federal Regulations, 2011 CFR

    2011-04-01

    ... 21 Food and Drugs 3 2011-04-01 2011-04-01 false Ammonium phosphate, monobasic. 184.1141a Section... SAFE Listing of Specific Substances Affirmed as GRAS § 184.1141a Ammonium phosphate, monobasic. (a) Ammonium phosphate, monobasic (NH4H2PO4, CAS Reg. No. 7722-76-1) is manufactured by reacting ammonia with...

  3. 40 CFR 721.10302 - Zinc ammonium phosphate (generic).

    Code of Federal Regulations, 2014 CFR

    2014-07-01

    ... 40 Protection of Environment 31 2014-07-01 2014-07-01 false Zinc ammonium phosphate (generic). 721... Substances § 721.10302 Zinc ammonium phosphate (generic). (a) Chemical substance and significant new uses subject to reporting. (1) The chemical substance identified generically as zinc ammonium phosphate (PMN P...

  4. 21 CFR 184.1141b - Ammonium phosphate, dibasic.

    Code of Federal Regulations, 2012 CFR

    2012-04-01

    ... 21 Food and Drugs 3 2012-04-01 2012-04-01 false Ammonium phosphate, dibasic. 184.1141b Section 184... Listing of Specific Substances Affirmed as GRAS § 184.1141b Ammonium phosphate, dibasic. (a) Ammonium phosphate, dibasic ((NH4)2HPO4, CAS Reg. No. 7783-28-0) is manufactured by reacting ammonia with phosphoric...

  5. 21 CFR 184.1141b - Ammonium phosphate, dibasic.

    Code of Federal Regulations, 2011 CFR

    2011-04-01

    ... 21 Food and Drugs 3 2011-04-01 2011-04-01 false Ammonium phosphate, dibasic. 184.1141b Section 184... Listing of Specific Substances Affirmed as GRAS § 184.1141b Ammonium phosphate, dibasic. (a) Ammonium phosphate, dibasic ((NH4)2HPO4, CAS Reg. No. 7783-28-0) is manufactured by reacting ammonia with phosphoric...

  6. Structural basis for the enhanced stability of protein model compounds and peptide backbone unit in ammonium ionic liquids.

    PubMed

    Vasantha, T; Attri, Pankaj; Venkatesu, Pannuru; Devi, R S Rama

    2012-10-04

    Protein folding/unfolding is a fascinating study in the presence of cosolvents, which protect/disrupt the native structure of protein, respectively. The structure and stability of proteins and their functional groups may be modulated by the addition of cosolvents. Ionic liquids (ILs) are finding a vast array of applications as novel cosolvents for a wide variety of biochemical processes that include protein folding. Here, the systematic and quantitative apparent transfer free energies (ΔG'(tr)) of protein model compounds from water to ILs through solubility measurements as a function of IL concentration at 25 °C have been exploited to quantify and interpret biomolecular interactions between model compounds of glycine peptides (GPs) with ammonium based ILs. The investigated aqueous systems consist of zwitterionic glycine peptides: glycine (Gly), diglycine (Gly(2)), triglycine (Gly(3)), tetraglycine (Gly(4)), and cyclic glycylglycine (c(GG)) in the presence of six ILs such as diethylammonium acetate (DEAA), diethylammonium hydrogen sulfate (DEAS), triethylammonium acetate (TEAA), triethylammonium hydrogen sulfate (TEAS), triethylammonium dihydrogen phosphate (TEAP), and trimethylammonium acetate (TMAA). We have observed positive values of ΔG'(tr) for GPs from water to ILs, indicating that interactions between ILs and GPs are unfavorable, which leads to stabilization of the structure of model protein compounds. Moreover, our experimental data ΔG'(tr) is used to obtain transfer free energies (Δg'(tr)) of the peptide backbone unit (or glycyl unit) (-CH(2)C═ONH-), which is the most numerous group in globular proteins, from water to IL solutions. To obtain the mechanism events of the ILs' role in enhancing the stability of the model compounds, we have further obtained m-values for GPs from solubility limits. These results explicitly elucidate that all alkyl ammonium ILs act as stabilizers for model compounds through the exclusion of ILs from model compounds of

  7. 76 FR 23569 - Termination of the Suspension Agreement on Solid Fertilizer Grade Ammonium Nitrate From the...

    Federal Register 2010, 2011, 2012, 2013, 2014

    2011-04-27

    ... International Trade Administration Termination of the Suspension Agreement on Solid Fertilizer Grade Ammonium... (``AD'') Investigation on Solid Fertilizer Grade Ammonium Nitrate from the Russian Federation (``the... determine whether imports of solid fertilizer grade ammonium nitrate (``ammonium nitrate'') from Russia...

  8. 76 FR 49449 - Continuation of Antidumping Duty Order on Solid Fertilizer Grade Ammonium Nitrate From the...

    Federal Register 2010, 2011, 2012, 2013, 2014

    2011-08-10

    ... International Trade Administration Continuation of Antidumping Duty Order on Solid Fertilizer Grade Ammonium... duty investigation on solid fertilizer grade ammonium nitrate (``ammonium nitrate'') from the Russian... Solid Fertilizer Grade Ammonium Nitrate From the Russian Federation and Notice of Antidumping Duty...

  9. Detonation Properties of Ammonium Dinitramide (ADN)

    NASA Astrophysics Data System (ADS)

    Wätterstam, A.; Östmark, H.; Helte, A.; Karlsson, S.

    1999-06-01

    Ammonium Dinitramide, ADN, has a potential as an oxidizer for underwater high explosives. Pure ADN has a large reaction-zone length and shows a strong non-ideal behaviour. The work presented here is an extension of previous work.(Sensitivity and Performance Characterization of Ammonium Dinitramide (ADN). Presented at 11th International Detonation Symposium, Snowmass, CO, 1998.) Experiments for determining the detonation velocity as a function of inverse charge radius and density, reaction-zone length and curvature, and the detonation pressure are presented. Measurements of pressure indicates that no, or weak von-Neumann spike exists, suggesting an immediate chemical decomposition. Experimental data are compared with predicted using thermochemical codes and ZND-theory.

  10. Decomposition of free chlorine with tertiary ammonium.

    PubMed

    Katano, Hajime; Uematsu, Kohei; Tatsumi, Hirosuke; Tsukatani, Toshihide

    2010-01-01

    The reaction of free chlorine with tertiary ammonium or amine compounds in aqueous solution was studied by the amperometry at a rotating Pt-disk electrode. The amperometric method can be applied to follow the concentration of free chlorine (c(Cl)) even in the presence of chloramine species. By addition of mono- and dibutylammonium to the solution containing free chlorine, the step-like decrease in c(Cl) was observed, indicating the rapid formation of the stable chloramine species. By addition of tributylammonium, the c(Cl) was decreased exponentially to nearly zero even if the free chlorine was present initially in excess. The c(Cl)-t curves can be explained by tributylammonium-species-catalyzed decomposition of free chlorine to chloride ion. The catalytic decomposition was observed also with the tertiary-ammonium-based anion-exchange resins. Furthermore, the anion-exchange resins exhibited the decomposition of not only free chlorine but also chloramines in water.

  11. Ammonium chloride poisoning in chronic renal disease

    PubMed Central

    Levene, Donald L.; Knight, Allan

    1974-01-01

    A 58-year-old woman with a long history of renal stone disease and urinary tract infection presented to the emergency room with exhaustion and air hunger. Laboratory data confirmed profound metabolic acidosis. Unduly large quantities of bicarbonate and potassium were required for correction of the deficits. She had been taking 6 g daily of ammonium chloride as a urine-acidifying agent for a period of six months in addition to agents directed against urinary tract infection. The combination of impaired renal function and effective hydrogen ion loading resulted in profound systemic acidosis. The metabolic derangements associated with the administration of ammonium chloride and its use as a therapeutic agent are discussed. PMID:4850503

  12. Highly doped silicon nanowires by monolayer doping.

    PubMed

    Veerbeek, Janneke; Ye, Liang; Vijselaar, Wouter; Kudernac, Tibor; van der Wiel, Wilfred G; Huskens, Jurriaan

    2017-02-23

    Controlling the doping concentration of silicon nanostructures is challenging. Here, we investigated three different monolayer doping techniques to obtain silicon nanowires with a high doping dose. These routes were based on conventional monolayer doping, starting from covalently bound dopant-containing molecules, or on monolayer contact doping, in which a source substrate coated with a monolayer of a carborane silane was the dopant source. As a third route, both techniques were combined to retain the benefits of conformal monolayer formation and the use of an external capping layer. These routes were used for doping fragile porous nanowires fabricated by metal-assisted chemical etching. Differences in porosity were used to tune the total doping dose inside the nanowires, as measured by X-ray photoelectron spectroscopy and secondary ion mass spectrometry measurements. The higher the porosity, the higher was the surface available for dopant-containing molecules, which in turn led to a higher doping dose. Slightly porous nanowires could be doped via all three routes, which resulted in highly doped nanowires with (projected areal) doping doses of 10(14)-10(15) boron atoms per cm(2) compared to 10(12) atoms per cm(2) for a non-porous planar sample. Highly porous nanowires were not compatible with the conventional monolayer doping technique, but monolayer contact doping and the combined route resulted for these highly porous nanowires in tremendously high doping doses up to 10(17) boron atoms per cm(2).

  13. Corrosion and repairs of ammonium carbamate decomposers

    SciTech Connect

    De Romero, M.F.; Galban, J.P.

    1996-05-01

    Corrosion-erosion problems occurred in the carbon steel base metal of the ammonium carbamate decomposers in an urea extraction process lined with type 316L (UNS S31603) urea grade stainless steel. The cladding was replaced by weld overlay using a semiautomatic gas metal arc welding process. The first layer was alloy 25%Cr-15%Ni-2%Mo (UNS W30923); the second layer was alloy 25%Cr-22%Ni-2%Mo (UNS W31020).

  14. Nitrate, ammonium, and potassium sensing and signaling.

    PubMed

    Ho, Cheng-Hsun; Tsay, Yi-Fang

    2010-10-01

    Plants acquire numerous nutrients from the soil. In addition, nutrients elicit many physiological and morphological responses especially in roots. Recently, there has been significant progress in identifying the sensing and regulatory mechanisms of several essential nutrients. In this review, we describe the newly identified signaling components of nitrate, ammonium, and potassium, focusing specifically on the initial sensing steps. Copyright © 2010 Elsevier Ltd. All rights reserved.

  15. Anticaking and antidusting composition for ammonium nitrate

    SciTech Connect

    Newman, A.W.; Bishop, M.L.

    1988-01-05

    An aqueous liquid anticaking and antidusting composition is described comprising, from 20 to 30 parts of a sodium naphthalene sulfonate, from 17 to 28 parts of an ammonium naphthalene sulfonate, the naphthalene of the aforesaid sulfonates being selected from naphthalene and methyl-substituted derivatives thereof, and from 30 to 80 parts of water, the composition being neutralized with acid to a pH of from about 5 to about 7.

  16. Review of Ammonium Dinitramide Toxicity Studies

    DTIC Science & Technology

    2011-01-01

    Dean, K. W., Pace, D. M ., and Carmichael, A. J . Effects of ammonium dinitramide in human liver slices: An EPR/spin trapping study. Armstrong...Steel-Goodwin, L., Kuhlmann, K. J ., Miller, C., Pace, M . D., and Carmichael, A. J . Effects of reactive oxygen and nitrogen species induced by...Biotechnology Branch Teresa R. Sterner Henry M . Jackson Foundation for the Advancement of Military Medicine Wright-Patterson AFB, OH

  17. Oxidation of ammonium sulfite in aqueous solutions using ozone technology

    NASA Astrophysics Data System (ADS)

    Li, Yue; Shang, Kefeng; Lu, Na; Li, Jie; Wu, Yan

    2013-03-01

    How to deal with unstable ammonium sulfite, the byproduct of flue gas desulfuration by ammonia absorption methods, has been a difficult problem in recent years. Oxidation of ammonium sulfite in aqueous solutions using ozone produced by a surface discharge system was investigated in the paper. The oxidation efficiency of ammonium sulfite by ozone and traditional air aeration were compared, and the factors including ozone concentration, gas flow rate, initial concentration of ammonium sulfite solution and reaction temperature were discussed. The results show that the oxidation efficiency of ammonium sulfite by ozone technology reached nearly 100% under the optimum conditions, which had a significant increase compared with that by air aeration.

  18. PROCESS FOR THE PRODUCTION OF AMMONIUM URANIUM FLUORIDE

    DOEpatents

    Ellis, A.S.; Mooney, R.B.

    1953-08-25

    This patent relates to the preparation of ammonium uranium fluoride. The process comprises adding a water soluble fluoride to an aqueous solution of a uranous compound containing an ammonium salt, and isolating the resulting precipitate. This patent relates to the manufacture of uranium tetnafluoride from ammonium uranium fluoride, NH/sub 4/UF/sub 5/. Uranium tetrafluoride is prepared by heating the ammonium uranium fluoride to a temperature at which dissociation occurs with liberation of ammonium fluoride. Preferably the process is carried out under reduced pressure, or in a current of an inert gas.

  19. Effect of the Acidic Dental Resin Monomer 10-methacryloyloxydecyl Dihydrogen Phosphate on Odontoblastic Differentiation of Human Dental Pulp Cells.

    PubMed

    Kim, Eun-Cheol; Park, Haejin; Lee, Sang-Im; Kim, Sun-Young

    2015-11-01

    Although 10-methacryloyloxydecyl dihydrogen phosphate (10-MDP) is frequently used as an acidic resin monomer in dental adhesives, its effect on dental pulp cells (DPCs) has been rarely reported. The purpose of this study was to examine the effects of 10-MDP on the inflammatory response and odontoblastic differentiation of DPCs at minimally toxic concentrations. We found that 10-MDP caused the release of inflammatory cytokines including NO, PGE2, iNOS, COX-2, TNF-α, IL-1β, IL-6 and IL-8 in a concentration-dependent manner. In addition, 10-MDP reduced alkaline phosphatase activity, mineralization nodule formation and mRNA expression of odontoblastic differentiation markers such as dentin sialophosphoprotein, dentin matrix protein-1, osterix and Runx2 in a concentration-dependent manner with low toxicity. In addition, 10-MDP induced activation of nuclear factor-E2-related factor 2 (Nrf2) and its target gene, haeme oxygenase-1 (HO-1). We evaluated whether the effect of 10-MDP was related to the induction of HO-1 and found that treatment with a selective inhibitor of HO-1 reversed the production of 10-MDP-mediated pro-inflammatory cytokines and the inhibition of differentiation markers. Pre-treatment with either a GSH synthesis inhibitor or antioxidants blocked 10-MDP-induced mitogen-activated protein kinases (MAPKs), Nrf2 and NF-κB pathways. Taken together, the results of this study showed that minimally toxic concentrations of 10-MDP promoted an inflammatory response and suppressed odontoblastic differentiation of DPCs by activating Nrf2-mediated HO-1 induction through MAPK and NF-κB signalling.

  20. Equation of State of Ammonium Nitrate

    NASA Astrophysics Data System (ADS)

    Robbins, David L.; Sheffield, Stephen A.; Dattelbaum, Dana M.; Velisavljevic, Nenad; Stahl, David B.

    2009-12-01

    Ammonium nitrate (AN) is a widely used fertilizer and mining explosive. AN is commonly used in ammonium nitrate-fuel oil (ANFO), which is a mixture of explosive-grade AN prills and fuel oil in a 94:6 ratio by weight. ANFO is a non-ideal explosive with measured detonation velocities around 4 km/s. The equation of state properties and known initiation behavior of neat AN are limited. We present the results of a series of gas gun-driven plate impact experiments on pressed neat ammonium nitrate at 1.72 g/cm3. No evidence of initiation was observed under shock loading to 22 GPa. High pressure x-ray diffraction experiments in diamond anvil cells provided insight into the high pressure phase behavior over the same pressure range (to 25 GPa), as well as a static isotherm at ambient temperature. From the isotherm and thermodynamic properties at ambient conditions, a preliminary unreacted equation of state (EOS) has been developed based on the Murnaghan isotherm and Helmholtz formalism [1], which compares favorably with the available experimental Hugoniot data on several densities of AN.

  1. Herbicide: fatal ammonium thiocyanate and aminotriazole poisoning.

    PubMed

    Legras, A; Skrobala, D; Furet, Y; Kintz, P; Forveille, E; Dequin, P F; Perrotin, D

    1996-01-01

    To describe fatal herbicide poisoning with Radoxone TL composed of aminotriazole and ammonium thiocyanate. A 54-year-old man was hospitalized because of unexplained coma with myoclonic jerks and vascular collapse. Despite symptomatic treatment with mechanical ventilation and vascular filling, life-threatening shock occurred with oliguria, profound metabolic acidosis and cardiac arrest. Hyperchloremia (141 mmol/L) with reversed anion gap (-19) suggested interference with chloride measurement caused by halogens (Br,F,I) or other anions such as thiocyanate. Eventually a weed killer, Radoxone TL containing ammonium thiocyanate, was found at the patient's house. Thiocyanate and aminotriazole blood levels were 750 mg/L and 138 mg/L respectively more than 12 hours after ingestion. After prolonged cardiopulmonary resuscitation, continuous venovenous hemodiafiltration was performed. Despite hemodynamic recovery the patient died 48 hours later of postanoxic coma. Aminotriazole, a systemic nonselective herbicide, is often associated with ammonium thiocyanate which enhances its activity. Experimental studies and previous fatal cases suggest a predominant toxicity of thiocyanate. Early diagnosis is important.

  2. High dielectric constant nickel-doped titanium oxide films prepared by liquid-phase deposition

    NASA Astrophysics Data System (ADS)

    Lee, Ming-Kwei; Yen, Chih-Feng; Fan, Cho-Han

    2014-09-01

    The electrical characteristics of nickel-doped titanium oxide films prepared by liquid-phase deposition on p-type (100) silicon substrate were investigated. The aqueous solutions of ammonium hexafluorotitanate and boric acid were used as precursors for the growth of titanium oxide films and the dielectric constant is 29. The dielectric constant can be improved to 94 by nickel doping at the thermal annealing at 700 °C in nitrous oxide.

  3. Gene doping.

    PubMed

    Azzazy, Hassan M E

    2010-01-01

    Gene doping abuses the legitimate approach of gene therapy. While gene therapy aims to correct genetic disorders by introducing a foreign gene to replace an existing faulty one or by manipulating existing gene(s) to achieve a therapeutic benefit, gene doping employs the same concepts to bestow performance advantages on athletes over their competitors. Recent developments in genetic engineering have contributed significantly to the progress of gene therapy research and currently numerous clinical trials are underway. Some athletes and their staff are probably watching this progress closely. Any gene that plays a role in muscle development, oxygen delivery to tissues, neuromuscular coordination, or even pain control is considered a candidate for gene dopers. Unfortunately, detecting gene doping is technically very difficult because the transgenic proteins expressed by the introduced genes are similar to their endogenous counterparts. Researchers today are racing the clock because assuring the continued integrity of sports competition depends on their ability to develop effective detection strategies in preparation for the 2012 Olympics, which may mark the appearance of genetically modified athletes.

  4. Ammonium Ion Currents in the Squid Giant Axon

    PubMed Central

    Binstock, Leonard; Lecar, Harold

    1969-01-01

    Voltage-clamp studies on intact and internally perfused squid giant axons demonstrate that ammonium can substitute partially for either sodium or potassium. Ammonium carries the early transient current with 0.3 times the permeability of sodium and it carries the delayed current with 0.3 times the potassium permeability. The conductance changes observed in voltage clamp show approximately the same time course in ammonium solutions as in the normal physiological solutions. These ammonium ion permeabilities account for the known effects of ammonium on nerve excitability. Experiments with the drugs tetrodotoxin (TTX) and tetraethyl ammonium chloride (TEA) demonstrate that these molecules block the early and late components of the current selectively, even when both components are carried by the same ion, ammonium. PMID:5767336

  5. Ammonium secretion by Malpighian tubules of Drosophila melanogaster: application of a novel ammonium-selective microelectrode.

    PubMed

    Browne, Austin; O'Donnell, Michael J

    2013-10-15

    Ammonia is a toxic nitrogenous waste product of amino acid metabolism that may accumulate to high levels in the medium ingested by larvae of the fruit fly Drosophila melanogaster. Here we report measurements of haemolymph NH4(+) concentration and the secretion of NH4(+) by the Malpighian (renal) tubules. Measurement of NH4(+) concentrations in secreted droplets is complicated either by the requirement for large sample volumes for enzymatic assays or by the inadequate selectivity of NH4(+)-selective microelectrodes based on nonactin. We have developed a novel liquid membrane NH4(+)-selective microelectrode based on a 19-membered crown compound (TD19C6), which has been used previously in ammonium-selective macroelectrodes. In conjunction with an improved technique for correcting for interference of potassium, NH4(+)-selective microelectrodes based on TD19C6 permit accurate measurement of ammonium concentration in haemolymph samples and nanolitre droplets of fluid secreted by the Malpighian tubules of D. melanogaster. The results indicate that active secretion of ammonium into the Malpighian tubule lumen is sufficient to maintain concentrations of ~1 mmol l(-1) ammonium in the haemolymph of larvae reared on diets containing 100 mmol l(-1) ammonium chloride.

  6. Electrical Transport Over Wide Temperature Range In Doped And Undoped Polypyrrole

    SciTech Connect

    Taunk, Manish; Chand, Subhash

    2010-12-01

    Polypyrrole was synthesized by chemical oxidation method by varying oxidant to monomer molar ratio for the optimization of electrical conductivity without using any external dopant. The conductivity in doped polypyrrole reached up to a maximum value of 7.2 S/cm. Neutralization of doped polypyrrole was done with aqueous ammonium hydroxide and three orders of reduced conductivity was obtained in neutral polypyrrole. Doping and neutralization of polypyrrole samples was supported by FTIR spectroscopy. Doped and undoped samples of polypyrrole were then electrically characterized over wide temperature range of 10-300 K. Stronger and weak temperature dependence of conductivity was revealed by undoped and doped polypyrrole samples respectively. An effort has been made to explore the electrical transport in doped and undoped polypyrrole by charge transport models. The experimental data obeys Kivelson's hopping model in temperature range of 60-300 K and fluctuation assisted tunneling was dominant conduction mechanism below 80 K.

  7. Mechanistic aspects of dinitrogen cleavage and hydrogenation to produce ammonia in catalysis and organometallic chemistry: relevance of metal hydride bonds and dihydrogen.

    PubMed

    Jia, Hong-Peng; Quadrelli, Elsje Alessandra

    2014-01-21

    Dinitrogen cleavage and hydrogenation by transition-metal centers to produce ammonia is central in industry and in Nature. After an introductory section on the thermodynamic and kinetic challenges linked to N2 splitting, this tutorial review discusses three major classes of transition-metal systems (homogeneous, heterogeneous and biological) capable of achieving dissociation and hydrogenation of dinitrogen. Molecular complexes, solid-state Haber-Bosch catalytic systems, silica-supported tantalum hydrides and nitrogenase will be discussed. Emphasis is focused on the reaction mechanisms operating in the process of dissociation and hydrogenation of dinitrogen, and in particular on the key role played by metal hydride bonds and by dihydrogen in such reactions.

  8. Polymeric Quaternary Ammonium Compounds: Versatile Antimicrobial Materials.

    PubMed

    Zubris, Deanna L; Minbiole, Kevin P C; Wuest, William M

    2017-01-01

    Polymeric Quaternary Ammonium Compounds (polyQACs) comprise a broad class of materials with applications in medical implants, food processing, and surface sanitizing, amongst many others. These polymeric substances are especially promising due to their potent antibacterial activity and limited hemolytic toxicity. In particular, many polyQACs have superior therapeutic indices and a lower likelihood of developing antibacterial resistance in comparison to their monomers, making them ideal materials for wound dressings, catheters, and other biomedical applications. This review outlines the history and development, previous successes, current state of the research, and future directions of polyQACs in society.

  9. Synthesis, structure, and electrochemical properties of sterically protected molybdenum trihydride redox pairs: a paramagnetic "stretched" dihydrogen complex?

    PubMed

    Baya, Miguel; Houghton, Jennifer; Daran, Jean-Claude; Poli, Rinaldo; Male, Louise; Albinati, Alberto; Gutman, Matthias

    2007-01-01

    Complexes [MoCp(#)(PMe(3))(2)H(3)] (Cp(#)=1,2,4-C(5)H(2)tBu(3), 2 a; C(5)HiPr(4), 2 b) have been synthesized from the corresponding compounds [MoCp(#)Cl(4)] (1 a, 1 b) and fully characterized, including by X-ray crystallography and by a neutron diffraction study for 2 a. Protonation of 2 a led to complex [Mo(1,2,4-C(5)H(2)tBu(3))(PMe(3))(2)H(4)](+) (3 a) in THF and to [Mo(1,2,4-C(5)H(2)tBu(3))(PMe(3))(2)(MeCN)H(2)](+) (4 a) in MeCN. Complex 4 b analogously derives from protonation of 2 b in MeCN, whereas the tetrahydride complex 3 b is unstable. One-electron oxidation of 2 a and 2 b by [FeCp(2)]PF(6) produces the EPR-active 17-electron complexes 2 a(+) and 2 b(+). The former is thermally more stable than the latter and could be crystallographically characterized as the PF(6) (-) salt by X-ray diffraction, providing evidence for the presence of a stretched dihydrogen ligand (H...H=1.36(6) angstroms). Controlled thermal decomposition of 2 a(+) yielded the product of H(2) elimination, the 15-electron monohydride complex [Mo(1,2,4-C(5)H(2)tBu(3))(PMe(3))(2)H]PF(6) (5 a), which was characterized by X-ray crystallography and by EPR spectroscopy at liquid He temperature. The compound establishes an equilibrium with the solvent adduct in THF. An electrochemical study by cyclic voltammetry provides further evidence for a rapid H(2) elimination process from the 17-electron complexes. In contrast to the previously investigated [MoCp*(dppe)H(3)](+) system (dppe=1,2-bis(diphenylphosphino)ethane; Cp*=pentamethylcyclopentadienyl), the decomposition of 2 a(+) by H(2) substitution with a solvent molecule appears to follow a dissociative pathway in MeCN.

  10. Simple models for laser-induced damage and conditioning of potassium dihydrogen phosphate crystals by nanosecond pulses.

    PubMed

    Duchateau, Guillaume

    2009-06-22

    When potassium dihydrogen phosphate crystals (KH(2)PO(4) or KDP) are illuminated by multi-gigawatt nanosecond pulses, damages may appear in the crystal bulk. One can increase damage resistance through a conditioning that consists in carrying out a laser pre-exposure of the crystal. The present paper addresses the modeling of laser-induced damage and conditioning of KDP crystals. The method is based on heating a distribution of defects, the cooperation of which may lead to a dramatic temperature rise. In a previous investigation [Opt. Express 15, 4557-4576 (2007)], calculations were performed for cases where the heat diffusion was permitted in one and three spatial dimensions, corresponding respectively to planar and point defects. For the sake of completeness, the present study involves the 2D heat diffusion that is associated with linear defects. A comparison to experimental data leads to the conclusion that 1D calculations are the most appropriate for describing the laser-induced damage in KDP. Within this framework, the evolution of the damage density is given as a function of the laser energy density and an in-depth analysis of the results is provided based on simple analytical expressions that can be used for experimental design. Regarding the conditioning, assuming that it is due to a decrease in the defect absorption efficiency, two scenarios associated with various defect natures are proposed and these account for certain of the observed experimental facts. For instance, in order to improve the crystal resistance to damage, one needs to use a conditioning pulse duration shorter than the testing pulse. Also, a conditioning scenario based on the migration of point (atomic-size) defects allows the reproduction of a logarithmic-like evolution of the conditioning gain with respect to the number of laser pre-exposures. Moreover, this study aims at refining the knowledge regarding the precursor defects responsible for the laser-induced damage in KDP crystals

  11. Mild ammonium stress increases chlorophyll content in Arabidopsis thaliana.

    PubMed

    Sanchez-Zabala, Joseba; González-Murua, Carmen; Marino, Daniel

    2015-01-01

    Nitrate (NO3(-)) and ammonium (NH4(+)) are the main forms of nitrogen available in the soil for plants. Excessive NH4(+) accumulation in tissues is toxic for plants and exclusive NH4(+)-based nutrition enhances this effect. Ammonium toxicity syndrome commonly includes growth impairment, ion imbalance and chlorosis among others. In this work, we observed high intraspecific variability in chlorophyll content in 47 Arabidopsis thaliana natural accessions grown under 1 mM NH4(+) or 1 mM NO3(-) as N-source. Interestingly, chlorophyll content increased in every accession upon ammonium nutrition. Moreover, this increase was independent of ammonium tolerance capacity. Thus, chlorosis seems to be an exclusive effect of severe ammonium toxicity while mild ammonium stress induces chlorophyll accumulation.

  12. Ammonium dichromate poisoning: A rare cause of acute kidney injury.

    PubMed

    Radhakrishnan, H; Gopi, M; Arumugam, A

    2014-11-01

    Ammonium dichromate is an inorganic compound frequently used in screen and color printing. Being a strong oxidizing agent, it causes oxygen free radical injury resulting in organ failure. We report a 25-year-old female who presented with acute kidney injury after consumption of ammonium dichromate. She was managed successfully with hemodialysis and supportive measures. This case is reported to highlight the toxicity of ammonium dichromate.

  13. Ammonium nitrate: a promising rocket propellant oxidizer

    PubMed

    Oommen; Jain

    1999-06-30

    Ammonium nitrate (AN) is extensively used in the area of fertilizers and explosives. It is present as the major component in most industrial explosives. Its use as an oxidizer in the area of propellants, however, is not as extensive as in explosive compositions or gas generators. With the growing demand for environmental friendly chlorine free propellants, many attempts have been made of late to investigate oxidizers producing innocuous combustion products. AN, unlike the widely used ammonium perchlorate, produces completely ecofriendly smokeless products. Besides, it is one of the cheapest and easily available compounds. However, its use in large rocket motors is restricted due to some of its adverse characteristics like hygroscopicity, near room temperature phase transformation involving a volume change, and low burning rate (BR) and energetics. The review is an attempt to consolidate the information available on the various issues pertaining to its use as a solid propellant oxidizer. Detailed discussions on the aspects relating to phase modifications, decomposition chemistry, and BR and energetics of AN-based propellants, are presented. To make the review more comprehensive brief descriptions of the history, manufacture, safety, physical and chemical properties and various other applications of the salt are also included. Copyright 1999 Elsevier Science B.V.

  14. Reassimilation of ammonium in Lotus japonicus.

    PubMed

    Betti, Marco; García-Calderón, Margarita; Pérez-Delgado, Carmen M; Credali, Alfredo; Pal'ove-Balang, Peter; Estivill, Guillermo; Repčák, Miroslav; Vega, José M; Galván, Francisco; Márquez, Antonio J

    2014-10-01

    This review summarizes the most recent results obtained in the analysis of two important metabolic pathways involved in the release of internal sources of ammonium in the model legume Lotus japonicus: photorespiratory metabolism and asparagine breakdown mediated by aparaginase (NSE). The use of photorespiratory mutants deficient in plastidic glutamine synthetase (GS2) enabled us to investigate the transcriptomics and metabolomic changes associated with photorespiratory ammonium accumulation in this plant. The results obtained indicate the existence of a coordinate regulation of genes involved in photorespiratory metabolism. Other types of evidence illustrate the multiple interconnections existing among the photorespiratory pathway and other processes such as intermediate metabolism, nodule function, and secondary metabolism in this plant, all of which are substantially affected in GS2-deficient mutants because of the impairment of the photorespiratory cycle. Finally, the importance of asparagine metabolism in L. japonicus is highlighted because of the fact that asparagine constitutes the vast majority of the reduced nitrogen translocated between different organs of this plant. The different types of NSE enzymes and genes which are present in L. japonicus are described. There is a particular focus on the most abundant K(+)-dependent LjNSE1 isoform and how TILLING mutants were used to demonstrate by reverse genetics the importance of this particular isoform in plant growth and seed production. © The Author 2014. Published by Oxford University Press on behalf of the Society for Experimental Biology. All rights reserved. For permissions, please email: journals.permissions@oup.com.

  15. Safety Testing of Ammonium Nitrate Based Mixtures

    NASA Astrophysics Data System (ADS)

    Phillips, Jason; Lappo, Karmen; Phelan, James; Peterson, Nathan; Gilbert, Don

    2013-06-01

    Ammonium nitrate (AN)/ammonium nitrate based explosives have a lengthy documented history of use by adversaries in acts of terror. While historical research has been conducted on AN-based explosive mixtures, it has primarily focused on detonation performance while varying the oxygen balance between the oxidizer and fuel components. Similarly, historical safety data on these materials is often lacking in pertinent details such as specific fuel type, particle size parameters, oxidizer form, etc. A variety of AN-based fuel-oxidizer mixtures were tested for small-scale sensitivity in preparation for large-scale testing. Current efforts focus on maintaining a zero oxygen-balance (a stoichiometric ratio for active chemical participants) while varying factors such as charge geometry, oxidizer form, particle size, and inert diluent ratios. Small-scale safety testing was conducted on various mixtures and fuels. It was found that ESD sensitivity is significantly affected by particle size, while this is less so for impact and friction. Thermal testing is in progress to evaluate hazards that may be experienced during large-scale testing.

  16. Effect of the purity of starting materials on the growth and properties of potassium dihydrogen phosphate single crystals – A comparative study

    SciTech Connect

    Rajesh, P.; Charoen In, Urit; Manyum, Prapun; Ramasamy, P.

    2014-11-15

    Highlights: • Bulk size KDP crystal has been grown with higher growth rate. • Systematic study on the effect of starting materials has been done. • Crystalline perfection is maintained in the entire crystal. - Abstract: A systematic study on the effect of purity of starting materials on the growth and properties of potassium dihydrogen phosphate single crystals is crucial for the future study of the material for nonlinear optical applications. Potassium dihydrogen phosphate crystals were grown using high pure (99.999%) and ordinary (99.9%) starting raw materials using slow cooling method in identical conditions. Their optical transparency and crystalline perfection are studied by UV and high resolution X-ray diffraction analyses respectively. The results are checked with the help of etching analyses. The full width at half maximum is 8″ which is close to that expected from the plane wave theory of dynamical X-ray diffraction for an ideally perfect crystal. Results of those studies are correlated with each other. The quantitative results show that the raw material plays an important role in the growth of good quality crystals.

  17. Competition between dihydrogen bond and beryllium bond in complexes between HBeH and HArF: a huge blue shift of distant H-Ar stretch.

    PubMed

    Li, Qingzhong; Liu, Xiaofeng; Li, Ran; Cheng, Jianbo; Li, Wenzuo

    2012-05-01

    A novel interaction mechanism between HArF and BeH(2) has been validated and characterized with quantum chemical calculations at the MP2/aug-cc-pVQZ level. They can interact through beryllium bonding formed between the positively charged Be atom in BeH(2) and the negatively charged F atom in HArF, besides through dihydrogen bonding. The former (61.3 kcal/mol) is much stronger than the latter (5.9 kcal/mol). The red shift is found for the associated H-Ar stretch in the dihydrogen bonding, whereas the big blue shift is observed for the distant H-Ar stretch in the beryllium bonding. The blue shift of the distant H-Ar stretch is affected greatly by computational methods. It is calculated to be 712 cm(-1) at the CCSD(T)/6-311++G(3df,2p) level, which appears to be the largest blue shift validated for any weakly bound complex yet. The substitution effect on the beryllium bond is similar to that on hydrogen bonds. The Kr atom makes the beryllium bond weaken and the distant blue shift decrease. The nature and properties of beryllium bond have been analyzed with natural bond orbital (NBO), atoms in molecules (AIM), and energy decomposition. Copyright © 2012 Elsevier B.V. All rights reserved.

  18. Synthesis and investigation of [Cp(PMe(3))Rh(H)(H(2))](+) and its partially deuterated and tritiated isotopomers: evidence for a hydride/dihydrogen structure.

    PubMed

    Taw, Felicia L; Mellows, Heather; White, Peter S; Hollander, Frederick J; Bergman, Robert G; Brookhart, Maurice; Heinekey, D Michael

    2002-05-08

    Hydrogenolysis of [Cp(PMe(3))Rh(Me)(CH(2)Cl(2))](+)BAr'(4)(-) (4, Ar' = 3,5-C(6)H(3)(CF(3))(2)) in dichloromethane afforded the nonclassical polyhydride complex [Cp*PMe(3))Rh(H)(H(2))](+)BAr'(4)(-) (1), which exhibits a single hydride resonance at all accessible temperatures in the (1)H NMR spectrum. Exposure of solutions of 1 to D(2) or T(2) gas resulted in partial isotopic substitution in the hydride sites. Formulation of 1 as a hydride/dihydrogen complex was based upon T(1) (T(1)(min) = 23 ms at 150 K, 500 MHz), J(H-D) (ca. 10 Hz), and J(H-T) (ca. 70 Hz) measurements. The barrier (Delta G(++)) to exchange of hydride with dihydrogen sites was determined to be less than ca. 5 kcal/mol. Protonation of Cp(PMe(3))Rh(H)(2) (2) using H(OEt(2))(2)BAr'(4) resulted in binuclear species [(Cp(PMe(3))Rh(H))(2)(mu-H)](+)BAr'(4)(-) (3), which is formed in a reaction involving 1 as an intermediate. Complex 3 contains two terminal hydrides and one bridging hydride ligand which exchange with a barrier of 9.1 kcal/mol as observed by (1)H NMR spectroscopy. Additionally, the structures of 3 and 4, determined by X-ray diffraction, are reported.

  19. Heterolytic cleavage of hydrogen by an iron hydrogenase model: an Fe-H⋅⋅⋅H-N dihydrogen bond characterized by neutron diffraction.

    PubMed

    Liu, Tianbiao; Wang, Xiaoping; Hoffmann, Christina; DuBois, Daniel L; Bullock, R Morris

    2014-05-19

    Hydrogenase enzymes in nature use hydrogen as a fuel, but the heterolytic cleavage of H-H bonds cannot be readily observed in enzymes. Here we show that an iron complex with pendant amines in the diphosphine ligand cleaves hydrogen heterolytically. The product has a strong Fe-H⋅⋅⋅H-N dihydrogen bond. The structure was determined by single-crystal neutron diffraction, and has a remarkably short H⋅⋅⋅H distance of 1.489(10) Å between the protic N-H(δ+) and hydridic Fe-H(δ-) part. The structural data for [Cp(C5F4N)FeH(P(tBu)2N(tBu)2H)](+) provide a glimpse of how the H-H bond is oxidized or generated in hydrogenase enzymes. These results now provide a full picture for the first time, illustrating structures and reactivity of the dihydrogen complex and the product of the heterolytic cleavage of H2 in a functional model of the active site of the [FeFe] hydrogenase enzyme.

  20. The structure and unconventional dihydrogen bonding of a pressure-stabilized hydrogen-rich (NH3BH3)(H2)x(x = 1.5) compound

    DOE PAGES

    Lin, Yu; Welchman, Evan; Thonhauser, Timo; ...

    2017-03-15

    Combining X-ray diffraction, Raman spectroscopy, and ab initio simulations we characterize an extremely hydrogen-rich phase with the chemical formula (NH3BH3)(H2)x (x = 1.5). This phase was formed by compressing ammonia borane (AB, NH3BH3) in an environment with an excess of molecular hydrogen (H2). This compound can store a total of 26.8 wt% hydrogen, both as molecular hydrogen and chemically bonded hydrogen in AB, making it one of the most hydrogen-rich solids currently known. The new compound possesses a layered AB structure where additional H2 molecules reside in channels created through the weaving of AB layers. The unconventional dihydrogen bonding networkmore » of the new compound is significantly modified from its parent AB phase and contains H•••H contacts between adjacent AB molecules and between AB and H2 molecules. H–H can be either a proton donor or a proton acceptor that forms new types of dihydrogen bonding with the host AB molecules, which are depicted as H–H•••H–B or H–H•••H–N, respectively. Furthermore, this study not only demonstrates the strategy and the promise of using pressure for new material synthesis, but also unleashes the power of combining experiments and ab initio calculations for elucidating novel structures and unusual bonding configurations in dense low-Z materials.« less

  1. Evidence for ammonium-bearing minerals in Ceres

    NASA Technical Reports Server (NTRS)

    King, T. V. V.; Clark, R. N.; Calvin, W. M.; Sherman, D. M.; Swayze, G. A.; Brown, R. H.

    1991-01-01

    Evidence for ammonium-bearing minerals was found on the surface of the largest asteroid Ceres. The presence of ammonium-bearing clays suggests that Ceres has experienced a period of alteration by substantial amounts of an ammonium-bearing fluid. The presence of the ammonium-bearing clays does not preclude Ceres maintaining a volatile inventory in the core or in a volatile-rich zone at some distance below the surface. Telescopic observations of Ceres, using the 3.0 meter NASA Infrared telescope facility prompted this reevaluation of its surface mineralogy.

  2. How does glutamine synthetase activity determine plant tolerance to ammonium?

    PubMed

    Cruz, C; Bio, A F M; Domínguez-Valdivia, M D; Aparicio-Tejo, P M; Lamsfus, C; Martins-Loução, M A

    2006-04-01

    The wide range of plant responses to ammonium nutrition can be used to study the way ammonium interferes with plant metabolism and to assess some characteristics related with ammonium tolerance by plants. In this work we investigated the hypothesis of plant tolerance to ammonium being related with the plants' capacity to maintain high levels of inorganic nitrogen assimilation in the roots. Plants of several species (Spinacia oleracea L., Lycopersicon esculentum L., Lactuca sativa L., Pisum sativum L. and Lupinus albus L.) were grown in the presence of distinct concentrations (0.5, 1.5, 3 and 6 mM) of nitrate and ammonium. The relative contributions of the activity of the key enzymes glutamine synthetase (GS; under light and dark conditions) and glutamate dehydrogenase (GDH) were determined. The main plant organs of nitrogen assimilation (root or shoot) to plant tolerance to ammonium were assessed. The results show that only plants that are able to maintain high levels of GS activity in the dark (either in leaves or in roots) and high root GDH activities accumulate equal amounts of biomass independently of the nitrogen source available to the root medium and thus are ammonium tolerant. Plant species with high GS activities in the dark coincide with those displaying a high capacity for nitrogen metabolism in the roots. Therefore, the main location of nitrogen metabolism (shoots or roots) and the levels of GS activity in the dark are an important strategy for plant ammonium tolerance. The relative contribution of each of these parameters to species tolerance to ammonium is assessed. The efficient sequestration of ammonium in roots, presumably in the vacuoles, is considered as an additional mechanism contributing to plant tolerance to ammonium nutrition.

  3. Antifungal activity of gemini quaternary ammonium salts.

    PubMed

    Obłąk, Ewa; Piecuch, Agata; Krasowska, Anna; Luczyński, Jacek

    2013-12-14

    A series of gemini quaternary ammonium chlorides and bromides with various alkyl chain and spacer lengths was synthesized. The most active compounds against fungi were chlorides with 10 carbon atoms within the hydrophobic chain. Among these compounds were few with no hemolytic activity at minimal inhibitory concentrations. None of the tested compounds were cytotoxic and mutagenic. Cationic gemini surfactants poorly reduced the adhesion of microorganisms to the polystyrene plate, but inhibited the filamentation of Candida albicans. One of the tested compounds eradicated C. albicans and Rodotorula mucilaginosa biofilm, what could be important in overcoming catheter-associated infections. It was also shown that gemini surfactants enhanced the sensitivity of C. albicans to azoles and polyenes, thus they might be potentially used in combined therapy against fungi. Copyright © 2013. Published by Elsevier GmbH.

  4. Is Ammonium Peroxydisulate Indispensable for Preparation of Aniline-Derived Iron-Nitrogen-Carbon Electrocatalysts?

    PubMed

    Xie, Nan-Hong; Yan, Xiang-Hui; Xu, Bo-Qing

    2016-09-08

    Iron and nitrogen co-doped carbon (Fe-N-C) materials are among the most active non-precious metal catalysts that could replace Pt-based electrocatalysts for the oxygen reduction reaction (ORR) in fuel cells and metal-air batteries. The synthesis of the Fe-N-C catalysts often involves the use of aniline as the precursor for both N and C and ammonium peroxydisulfate (APS) as an indispensable oxidative initiator for aniline polymerization. Herein, a detailed structure and catalytic ORR performance comparison of aniline-derived Fe-N-C catalysts synthesized with and without the use of APS is reported. The APS-free preparation, which uses Fe(III) ions as the Fe source as well as the aniline polymerization initiator, results in a simple Fe-N-C catalyst with a high activity for the ORR. We show that APS is not necessary for the preparation and even detrimental to the performance of the catalyst.

  5. Characterization of polyethylene glycol plasticized carboxymethyl cellulose-ammonium fluoride solid biopolymer electrolytes

    NASA Astrophysics Data System (ADS)

    Ramlli, M. A.; Maksud, M. A.; Isa, M. I. N.

    2017-03-01

    An attempt to increase the ionic conductivity of solid biopolymer electrolyte (SBE) from carboxyl methylcellulose (CMC) doped with 9 wt. % of ammonium fluoride (AF) has been made by the plasticizing with polyethylene glycol (PEG). Electrochemical Impedance Spectroscopy (EIS) was used to investigate the ionic conductivity of the CMC-AF-PEG SBEs. The study shows that the highest conductivity achieved is 6.62×10-7 S cm-1 at room temperature for SBE with 25 % wt. PEG. X-Ray Diffraction (XRD) study proved that the highest conductive SBE has the highest amorphous nature which contributes to the high conductivity of the SBE. The interaction of CMC and AF was enhanced by the addition of PEG at C-O band in the CMC.

  6. TiO2 doped with nitrogen: synthesis and characterization.

    PubMed

    Abazović, Nadica D; Montone, Amelia; Mirenghi, Luciana; Janković, Ivana A; Comor, Mirjana I

    2008-02-01

    In this study, nitrogen-doped titanium dioxide (TiO2) powders were synthesized in two ways: by heating of titanium hydroxide with urea and by direct hydrolysis of titanium tetraisopropoxide (TTIP) with ammonium hydroxide. The samples were characterized by structural (XRD), analytical (XPS), optical (UV/Vis absorption/reflection and Raman spectroscopy) and morphological (SEM, TEM) techniques. The characterization suggested that the doped materials have anatase crystalline form without any detectable peaks that correspond to dopants. The absorption threshold of titanium dioxide was moved in the visible range of optical spectrum from 3.2 eV to 2.20 eV. Particle sizes of synthesized powders were obtained from XRD measurements and from TEM data ranging from 6-20 nm. XPS and Raman spectroscopy were used for detection of nitrogen in doped samples.

  7. Doping Versatile n-Type Organic Semiconductors via Room Temperature Solution-Processable Anionic Dopants.

    PubMed

    Chueh, Chu-Chen; Li, Chang-Zhi; Ding, Feizhi; Li, Zhong'an; Cernetic, Nathan; Li, Xiaosong; Jen, Alex K-Y

    2017-01-11

    In this study, we describe a facile solution-processing method to effectively dope versatile n-type organic semiconductors, including fullerene, n-type small molecules, and graphene by commercially available ammonium and phosphonium salts via in situ anion-induced electron transfer. In addition to the Lewis basicity of anions, we unveiled that the ionic binding strength between the cation and anion of the salts is also crucial in modulating the electron transfer strength of the dopants to affect the resulting doping efficiency. Furthermore, combined with the rational design of n-type molecules, an n-doped organic semiconductor is demonstrated to be thermally and environmentally stable. This finding provides a simple and generally applicable method to make highly efficient n-doped conductors which complements the well-established p-doped organics such as PEDOT:PSS for organic electronic applications.

  8. Antimicrobial activity and second harmonic studies on organic non-centrosymmetric pure and doped ninhydrin single crystals

    NASA Astrophysics Data System (ADS)

    Prasanyaa, T.; Jayaramakrishnan, V.; Haris, M.

    2013-03-01

    In this paper, we report the successful growth of pure, Cu2+ ions and Cd2+ ions doped on ninhydrin single crystals by slow solvent evaporation technique. The presence of Cu2+ and Cd2+ ions in the specimen of ninhydrin single crystal has been determined by atomic absorption spectroscopy. The powder X-ray diffraction analysis was done to calculate the lattice parameters of the pure and doped crystals. The percentage of transmittance of the crystal was recorded using the UV-Vis Spectrophotometer. Thermal behaviors of the grown crystals have been examined by the thermal gravimetric/differential thermal analysis. The hardness of the grown crystals was assessed and the results show the minor variation in the hardness value for the pure and doped ninhydrin samples. The value of the work hardening coefficient n was found to be 2.0, 1.0 and 1.06 for pure, copper and cadmium doped ninhydrin crystals respectively. The second harmonic generation efficiency of Cd2+ and Cu2+ doped ninhydrin is 8.3 and 6.3 times greater than well known nonlinear crystal of potassium dihydrogen phosphate respectively. The antibacterial and antifungal activities of the title compound were performed by disk diffusion method against the standard bacteria Escherichia coli, Xanthomonas oryzae and against the fungus Aspergillis niger and Aspergillus flavus.

  9. Influence of L-alanine doping on crystalline perfection, SHG efficiency, optical and mechanical properties of KDP single crystals

    NASA Astrophysics Data System (ADS)

    Shakir, Mohd.; Ganesh, V.; Riscob, B.; Maurya, K. K.; Wahab, M. A.; Bhagavannarayana, G.; Kishan Rao, K.

    2011-09-01

    Pure and L-alanine (LA) doped single crystals of potassium dihydrogen orthophosphate (KDP) were grown by slow evaporation solution technique (SEST) in aqueous solution at ambient temperature. Powder X-ray diffraction study was done to confirm the crystal system and lattice parameters of KDP. No additional phases were observed at all doping concentrations (1-7.5 mol%), which was further confirmed by FT-Raman spectroscopy analysis. The influence of LA doping on the crystalline perfection was assessed by high-resolution X-ray diffractometry (HRXRD) analysis. HRXRD studies revealed that the grown crystals could accommodate LA at the interstitial positions in the crystalline matrix of KDP up to some critical concentration without any deterioration in the crystalline perfection. Above this concentration, very low angle structural grain boundaries were developed and it seems that the excess LA above the critical concentration was segregated along the grain boundaries. The SHG efficiency was measured using the Kurtz powder technique. The relative SHG efficiency of the crystals was found to be increased with doping concentration up to 5 mol% and above this it decreases. Optical transmission study also revealed the same behavior with enhancement up to 5 mol% concentration and later decreased. The hardness values were found to be increased by increasing the doping concentration.

  10. 21 CFR 73.2298 - Ferric ammonium ferrocyanide.

    Code of Federal Regulations, 2011 CFR

    2011-04-01

    ... of the eye, in amounts consistent with good manufacturing practice. (c) Labeling. The color additive... LISTING OF COLOR ADDITIVES EXEMPT FROM CERTIFICATION Cosmetics § 73.2298 Ferric ammonium ferrocyanide. (a) Identity and specifications.The color additive ferric ammonium ferrocyanide shall conform in identify and...

  11. 21 CFR 73.1298 - Ferric ammonium ferrocyanide.

    Code of Federal Regulations, 2011 CFR

    2011-04-01

    ... LISTING OF COLOR ADDITIVES EXEMPT FROM CERTIFICATION Drugs § 73.1298 Ferric ammonium ferrocyanide. (a) Identity. (1) The color additive ferric ammonium ferrocyanide is the blue pigment obtained by oxidizing... with smaller amounts of ferric ferrocyanide and ferric sodium ferrocyanide. (2) Color additive mixtures...

  12. 21 CFR 73.2298 - Ferric ammonium ferrocyanide.

    Code of Federal Regulations, 2010 CFR

    2010-04-01

    ... of the eye, in amounts consistent with good manufacturing practice. (c) Labeling. The color additive... LISTING OF COLOR ADDITIVES EXEMPT FROM CERTIFICATION Cosmetics § 73.2298 Ferric ammonium ferrocyanide. (a) Identity and specifications.The color additive ferric ammonium ferrocyanide shall conform in identify and...

  13. 75 FR 14082 - Ammonium Salts of Fatty Acids (C8

    Federal Register 2010, 2011, 2012, 2013, 2014

    2010-03-24

    ... AGENCY 40 CFR Part 180 Ammonium Salts of Fatty Acids (C 8 -C 18 Saturated); Exemption from the... fatty acids (C 8 -C 18 saturated) applied pre- and post-harvest on all raw agricultural commodities when... eliminates the need to establish a maximum permissible level for residues of ammonium salts of fatty acids (C...

  14. 40 CFR 721.655 - Ethoxylated alkyl quaternary ammonium compound.

    Code of Federal Regulations, 2012 CFR

    2012-07-01

    ... compound. 721.655 Section 721.655 Protection of Environment ENVIRONMENTAL PROTECTION AGENCY (CONTINUED... Specific Chemical Substances § 721.655 Ethoxylated alkyl quaternary ammonium compound. (a) Chemical... as an ethoxylated alkyl quaternary ammonium compound (PMN P-96-573) is subject to reporting...

  15. 40 CFR 721.655 - Ethoxylated alkyl quaternary ammonium compound.

    Code of Federal Regulations, 2011 CFR

    2011-07-01

    ... compound. 721.655 Section 721.655 Protection of Environment ENVIRONMENTAL PROTECTION AGENCY (CONTINUED... Specific Chemical Substances § 721.655 Ethoxylated alkyl quaternary ammonium compound. (a) Chemical... as an ethoxylated alkyl quaternary ammonium compound (PMN P-96-573) is subject to reporting...

  16. 40 CFR 721.655 - Ethoxylated alkyl quaternary ammonium compound.

    Code of Federal Regulations, 2014 CFR

    2014-07-01

    ... compound. 721.655 Section 721.655 Protection of Environment ENVIRONMENTAL PROTECTION AGENCY (CONTINUED... Specific Chemical Substances § 721.655 Ethoxylated alkyl quaternary ammonium compound. (a) Chemical... as an ethoxylated alkyl quaternary ammonium compound (PMN P-96-573) is subject to reporting...

  17. 40 CFR 721.655 - Ethoxylated alkyl quaternary ammonium compound.

    Code of Federal Regulations, 2013 CFR

    2013-07-01

    ... compound. 721.655 Section 721.655 Protection of Environment ENVIRONMENTAL PROTECTION AGENCY (CONTINUED... Specific Chemical Substances § 721.655 Ethoxylated alkyl quaternary ammonium compound. (a) Chemical... as an ethoxylated alkyl quaternary ammonium compound (PMN P-96-573) is subject to reporting...

  18. 40 CFR 721.655 - Ethoxylated alkyl quaternary ammonium compound.

    Code of Federal Regulations, 2010 CFR

    2010-07-01

    ... compound. 721.655 Section 721.655 Protection of Environment ENVIRONMENTAL PROTECTION AGENCY (CONTINUED... Specific Chemical Substances § 721.655 Ethoxylated alkyl quaternary ammonium compound. (a) Chemical... as an ethoxylated alkyl quaternary ammonium compound (PMN P-96-573) is subject to reporting...

  19. 21 CFR 73.2298 - Ferric ammonium ferrocyanide.

    Code of Federal Regulations, 2013 CFR

    2013-04-01

    ... of the eye, in amounts consistent with good manufacturing practice. (c) Labeling. The color additive... LISTING OF COLOR ADDITIVES EXEMPT FROM CERTIFICATION Cosmetics § 73.2298 Ferric ammonium ferrocyanide. (a) Identity and specifications.The color additive ferric ammonium ferrocyanide shall conform in identify and...

  20. 21 CFR 73.2298 - Ferric ammonium ferrocyanide.

    Code of Federal Regulations, 2012 CFR

    2012-04-01

    ... of the eye, in amounts consistent with good manufacturing practice. (c) Labeling. The color additive... LISTING OF COLOR ADDITIVES EXEMPT FROM CERTIFICATION Cosmetics § 73.2298 Ferric ammonium ferrocyanide. (a) Identity and specifications.The color additive ferric ammonium ferrocyanide shall conform in identify and...

  1. 21 CFR 73.1025 - Ferric ammonium citrate.

    Code of Federal Regulations, 2010 CFR

    2010-04-01

    ... COLOR ADDITIVES EXEMPT FROM CERTIFICATION Drugs § 73.1025 Ferric ammonium citrate. (a) Identity. The color additive ferric ammonium citrate consists of complex chelates prepared by the interaction of... general and ophthalmic surgery subject to the following conditions: (1) The dyed suture shall conform in...

  2. Racer (Ammonium Nonanoate) weed control evaluation for onions

    USDA-ARS?s Scientific Manuscript database

    Racer has been labeled as a herbicide for food use and is currently under consideration as an organic herbicide for organically grown food crops. The main component (40%) of Racer is ammonium nonanoate (ammonium pelargonate), which occurs in nature and primarily formed from biodegradation of higher...

  3. 40 CFR 721.6070 - Alkyl phosphonate ammonium salts.

    Code of Federal Regulations, 2010 CFR

    2010-07-01

    ... 40 Protection of Environment 30 2010-07-01 2010-07-01 false Alkyl phosphonate ammonium salts. 721... Substances § 721.6070 Alkyl phosphonate ammonium salts. (a) Chemical substances and significant new uses... salts (PMNs P-93-725 and P-93-726) are subject to reporting under this section for the significant...

  4. 40 CFR 721.6070 - Alkyl phosphonate ammonium salts.

    Code of Federal Regulations, 2012 CFR

    2012-07-01

    ... 40 Protection of Environment 32 2012-07-01 2012-07-01 false Alkyl phosphonate ammonium salts. 721... Substances § 721.6070 Alkyl phosphonate ammonium salts. (a) Chemical substances and significant new uses... salts (PMNs P-93-725 and P-93-726) are subject to reporting under this section for the significant...

  5. 40 CFR 721.6070 - Alkyl phosphonate ammonium salts.

    Code of Federal Regulations, 2011 CFR

    2011-07-01

    ... 40 Protection of Environment 31 2011-07-01 2011-07-01 false Alkyl phosphonate ammonium salts. 721... Substances § 721.6070 Alkyl phosphonate ammonium salts. (a) Chemical substances and significant new uses... salts (PMNs P-93-725 and P-93-726) are subject to reporting under this section for the significant...

  6. 40 CFR 721.6070 - Alkyl phosphonate ammonium salts.

    Code of Federal Regulations, 2013 CFR

    2013-07-01

    ... 40 Protection of Environment 32 2013-07-01 2013-07-01 false Alkyl phosphonate ammonium salts. 721... Substances § 721.6070 Alkyl phosphonate ammonium salts. (a) Chemical substances and significant new uses... salts (PMNs P-93-725 and P-93-726) are subject to reporting under this section for the significant...

  7. 40 CFR 721.6070 - Alkyl phosphonate ammonium salts.

    Code of Federal Regulations, 2014 CFR

    2014-07-01

    ... 40 Protection of Environment 31 2014-07-01 2014-07-01 false Alkyl phosphonate ammonium salts. 721... Substances § 721.6070 Alkyl phosphonate ammonium salts. (a) Chemical substances and significant new uses... salts (PMNs P-93-725 and P-93-726) are subject to reporting under this section for the significant...

  8. 40 CFR 180.473 - Glufosinate ammonium; tolerances for residues.

    Code of Federal Regulations, 2010 CFR

    2010-07-01

    ... residues of the herbicide glufosinate-ammonium (butanoic acid, 2-amino-4-(hydroxymethylphosphinyl...-propionic acid, expressed as 2-amino-4-(hydroxymethylphosphinyl)butanoic acid equivalents, in or on the... ammonium, butanoic acid, 2-amino-4-(hydroxymethylphosphinyl)-, monoammonium salt and its metabolite, 3...

  9. THE MASS ACCOMMODATION COEFFICIENT OF AMMONIUM NITRATE AEROSOL. (R823514)

    EPA Science Inventory

    The mass transfer rate of pure ammonium nitrate between the aerosol and gas phases was
    quantified experimentally by the use of the tandem differential mobility analyzer/scanning mobility
    particle sizer (TDMA/SMPS) technique. Ammonium nitrate particles 80-220 nm in diameter<...

  10. THE MASS ACCOMMODATION COEFFICIENT OF AMMONIUM NITRATE AEROSOL. (R823514)

    EPA Science Inventory

    The mass transfer rate of pure ammonium nitrate between the aerosol and gas phases was
    quantified experimentally by the use of the tandem differential mobility analyzer/scanning mobility
    particle sizer (TDMA/SMPS) technique. Ammonium nitrate particles 80-220 nm in diameter<...

  11. 46 CFR 148.220 - Ammonium nitrate-phosphate fertilizers.

    Code of Federal Regulations, 2012 CFR

    2012-10-01

    ... 46 Shipping 5 2012-10-01 2012-10-01 false Ammonium nitrate-phosphate fertilizers. 148.220 Section... § 148.220 Ammonium nitrate-phosphate fertilizers. (a) This section applies to the stowage and transportation of uniform, nonsegregating mixtures of nitrogen/phosphate or nitrogen/potash type fertilizers,...

  12. 46 CFR 148.220 - Ammonium nitrate-phosphate fertilizers.

    Code of Federal Regulations, 2013 CFR

    2013-10-01

    ... 46 Shipping 5 2013-10-01 2013-10-01 false Ammonium nitrate-phosphate fertilizers. 148.220 Section... § 148.220 Ammonium nitrate-phosphate fertilizers. (a) This section applies to the stowage and transportation of uniform, nonsegregating mixtures of nitrogen/phosphate or nitrogen/potash type fertilizers,...

  13. 46 CFR 148.220 - Ammonium nitrate-phosphate fertilizers.

    Code of Federal Regulations, 2011 CFR

    2011-10-01

    ... 46 Shipping 5 2011-10-01 2011-10-01 false Ammonium nitrate-phosphate fertilizers. 148.220 Section... § 148.220 Ammonium nitrate-phosphate fertilizers. (a) This section applies to the stowage and transportation of uniform, nonsegregating mixtures of nitrogen/phosphate or nitrogen/potash type fertilizers,...

  14. 46 CFR 148.220 - Ammonium nitrate-phosphate fertilizers.

    Code of Federal Regulations, 2014 CFR

    2014-10-01

    ... 46 Shipping 5 2014-10-01 2014-10-01 false Ammonium nitrate-phosphate fertilizers. 148.220 Section... § 148.220 Ammonium nitrate-phosphate fertilizers. (a) This section applies to the stowage and transportation of uniform, nonsegregating mixtures of nitrogen/phosphate or nitrogen/potash type fertilizers,...

  15. Shock wave synthesis of amino acids from solutions of ammonium formate and ammonium bicarbonate

    NASA Astrophysics Data System (ADS)

    Suzuki, Chizuka; Furukawa, Yoshihiro; Kobayashi, Takamichi; Sekine, Toshimori; Nakazawa, Hiromoto; Kakegawa, Takeshi

    2015-07-01

    The emergence of life's building blocks, such as amino acids and nucleobases, on the prebiotic Earth was a critical step for the beginning of life. Reduced species with low mass, such as ammonia, amines, or carboxylic acids, are potential precursors for these building blocks of life. These precursors may have been provided to the prebiotic ocean by carbonaceous chondrites and chemical reactions related to meteorite impacts on the early Earth. The impact of extraterrestrial objects on Earth occurred more frequently during this period than at present. Such impacts generated shock waves in the ocean, which have the potential to progress chemical reactions to form the building blocks of life from reduced species. To simulate shock-induced reactions in the prebiotic ocean, we conducted shock-recovery experiments on ammonium bicarbonate solution and ammonium formate solution at impact velocities ranging from 0.51 to 0.92 km/s. In the products from the ammonium formate solution, several amino acids (glycine, alanine, ß-alanine, and sarcosine) and aliphatic amines (methylamine, ethylamine, propylamine, and butylamine) were detected, although yields were less than 0.1 mol % of the formic acid reactant. From the ammonium bicarbonate solution, smaller amounts of glycine, methylamine, ethylamine, and propylamine were formed. The impact velocities used in this study represent minimum cases because natural meteorite impacts typically have higher velocities and longer durations. Our results therefore suggest that shock waves could have been involved in forming life's building blocks in the ocean of prebiotic Earth, and potentially in aquifers of other planets, satellites, and asteroids.

  16. Assimilation of ammonium and nitrate nitrogen by bean plants

    SciTech Connect

    Volk, R.J. ); Chaillou, S.; Morot-Gaudry, J.F. ); Mariotti, A. )

    1989-04-01

    Enhanced growth is often observed in plants growing on combined ammonium and nitrate nutrition. The physiological basis for such enhancement was examined by exposing non-nodulated bean (Phaseolus vulgaris L.) plants to {sup 15}N-labeled, 1.0 mM N solutions containing 0, 33, 67 or 100% of the N as ammonium, the balance being nitrate. Maximal total N uptake and biomass production were attained by plants receiving 33% ammonium. A higher proportion of incoming ammonium than nitrate was incorporated into root protein. This was accompanied by increased partitioning of plant biomass to roots. It was concluded that as a consequence of greater N metabolism in the root under mixed ammonium and nitrate nutrition, the root became a more active sink for photosynthate. Concurrently, the augmented supply of N to the shoot enhanced net photosynthesis as reflected in increased plant biomass.

  17. Control of ammonium assimilation in Rhizobium 32H1.

    PubMed Central

    Ludwig, R A

    1978-01-01

    The symbiotic, nitrogen-fixing bacterium Rhizobium sp. 32H1 is a specialized ammonium producer during symbiosis. However, during free-living growth, Rhizobium 32H1 assimilates ammonium very poorly. Two pathways of ammonium assimilation exist in enteric bacteria. One is mediated by glutamate dehydrogenase, and the other is mediated by glutamine synthetase-glutamate synthase. The former pathway is altogether inoperative in Rhizobium 32H1; the latter pathway operates at a slow rate and is under strict negative control by ammonium itself. Rhizobium 32H1 glutamine synthetase activity is modulated by both repression-derepression and reversible adenylylation. For a biochemical process lacking an alternative pathway, such a regulatory pattern exacerbates the very process. This suggests that Rhizobium 32H1 restricts its own ammonium assimilation to maximize the contribution of fixed nitrogen to the host plant during symbiosis. PMID:27498

  18. Reactive Uptake of Dimethylamine by Ammonium Sulfate and Ammonium Sulfate-Sucrose Mixed Particles.

    PubMed

    Chu, Yangxi; Chan, Chak K

    2017-01-12

    Short-chain alkyl amines can undergo gas-to-particle partitioning via reactive uptake by ammonium salts, whose phases have been thought to largely influence the extent of amine uptake. Previous studies mainly focused on particles of single ammonium salt at either dry or wet conditions without any addition of organic compounds. Here we report the uptake of dimethylamine (DMA) by ammonium sulfate (AS) and AS-sucrose mixed particles at different relative humidities (RHs) using an electrodynamic balance coupled with in situ Raman spectroscopy. DMA is selected as a representative of short-chain alkyl amines, and sucrose is used as a surrogate of viscous and hydrophilic organics. Effective DMA uptake was observed for most cases, except for the water-limiting scenario at <5% RH and the formation of an ultraviscous sucrose coating at 10% RH and below. DMA uptake coefficients (γ) were estimated using the particle mass measurements during DMA uptake. Addition of sucrose can increase γ by absorbing water or inhibiting AS crystallization and decrease γ by elevating the particle viscosity and forming a coating layer. DMA uptake can be facilitated for crystalline AS or retarded for aqueous AS with hydrophilic viscous organics (e.g., secondary organic material formed via the oxidation of biogenic volatile organic compounds) present in aerosol particles.

  19. Spin-State Effects on the Thermal Dihydrogen Release from Solid-State [MH(η2-H2)dppe2]+ (M = Fe, Ru, Os) Organometallic Complexes for Hydrogen Storage Applications

    PubMed Central

    2015-01-01

    Mössbauer spectroscopy, experimental thermodynamic measurements, and computational studies were performed to investigate the properties of molecular hydrogen binding to the organometallic fragments [MHdppe2]+ (M = Fe, Ru, Os; dppe =1,2-bis(diphenylphosphino)ethane) to form the dihydrogen complex fragments [MH(η2-H2)dppe2]+. Mössbauer spectroscopy showed that the dehydrogenated complex [FeHdppe2]+ adopts a geometry consistent with the triplet spin state, transitioning to a singlet state complex upon addition of the dihydrogen molecule in a manner similar to the previously studied dinitrogen complexes. From simulations, this spin transition behavior was found to be responsible for the strong binding behavior experimentally observed in the iron complex. Spin-singlet to spin-singlet transitions were found to exhibit thermodynamics consistent with the 5d > 3d > 4d binding trend observed for other transition metal dihydrogen complexes. Finally, the method for distinguishing between dihydrogen and dihydride complexes based on partial quadrupole splittings observed in Mössbauer spectra was confirmed, providing a tool for further characterization of these unique species for Mössbauer active compounds. PMID:24803973

  20. Predicting laser-induced bulk damage and conditioning for deuterated potassium di-hydrogen phosphate crystals using ADM (absorption distribution model)

    SciTech Connect

    Liao, Z M; Spaeth, M L; Manes, K; Adams, J J; Carr, C W

    2010-02-26

    We present an empirical model that describes the experimentally observed laser-induced bulk damage and conditioning behavior in deuterated Potassium dihydrogen Phosphate (DKDP) crystals in a self-consistent way. The model expands on an existing nanoabsorber precursor model and the multi-step absorption mechanism to include two populations of absorbing defects, one with linear absorption and another with nonlinear absorption. We show that this model connects previously uncorrelated small-beam damage initiation probability data to large-beam damage density measurements over a range of ns pulse widths relevant to ICF lasers such as the National Ignition Facility (NIF). In addition, this work predicts the damage behavior of laser-conditioned DKDP and explains the upper limit to the laser conditioning effect. The ADM model has been successfully used during the commissioning and early operation of the NIF.

  1. Theoretical study of dihydrogen bonds between (XH)2, X = Li, Na, BeH, and MgH, and weak hydrogen bond donors (HCN, HNC, and HCCH).

    PubMed

    Alkorta, Ibon; Zborowski, Krzysztof; Elguero, Jose; Solimannejad, Mohammad

    2006-08-31

    The dihydrogen-bonded (DHB) complexes formed by (XH)2, with X = Li, Na, BeH, and MgH, with one, two, and four protonic molecules (HCN, HNC, and HCCH) have been studied. These complexes have been compared to those of the XH monomers with the same hydrogen bond donor molecules. The energetic results have been rationalized based on the electrostatic potential of the isolated hydridic systems. The electron density properties have been analyzed within the AIM methodology, both at the bond critical points and the integrated values at the atomic basins. Exponential relationships between several properties calculated at the bond critical points (rho,nabla2rho, lambdai, G, and V) and variation of integrated properties (energy, charge, and volume) vs the DHB distance have been obtained.

  2. A computational study of the dihydrogen bonded complexes HBeH ... HArF and HBeH ... HKrF.

    PubMed

    McDowell, Sean A C

    2004-09-22

    We report an ab initio computational study of the properties of two linear dihydrogen-bonded complexes of HBeH with the recently discovered rare gas compounds HArF and HKrF at the MP2(full)/6-311++G(2d,2p) level of theory. The HBeH ... HArF and HBeH ... HKrF complexes were found to have zero-point energy corrected binding energies of 27 and 12 kJ mol(-1), respectively. Large red shifts of the H-Rg vibrational stretching frequency in both complexes were also predicted. The electron density rearrangement of the rare gas compounds on complexation was also examined. We also consider the relative stabilities of D-containing isotopomers of the complexes by comparison of their computed zero-point vibrational energies.

  3. Electrogenic ammonium transport by renal Rhbg.

    PubMed

    Nakhoul, N L; Schmidt, E; Abdulnour-Nakhoul, S-M; Hamm, L L

    2006-01-01

    The recently cloned, non-erythrocyte Rh glycoproteins (Rhbg and Rhcg) are expressed in the intercalated cells of the renal collecting duct. The apical Rhcg and the basolateral Rhbg are likely involved in NH3 and/or NH4+ transport, yet the characteristics of this transport are not yet certain. In this study we investigated the mechanism of NH4+ transport by Rhbg and Rhcg expressed in Xenopus oocytes. We used a two-electrode voltage-clamp and ion-selective microelectrodes to measure NH4+-induced currents (I(NH4)) and changes in pHi, respectively. In oocytes expressing Rhcg, exposure to bath [NH4+] of 2.5-20 mM induced inward currents that were slightly more than those in H2O-injected (control) oocytes. I-V plots in the presence of NH4+ showed a small increase in slope conductance only at positive potentials. On the other hand, in oocytes expressing Rhbg, 5 mM NH4+ induced an inward I(NH4) of -79 nA, decreased pHi (DeltapHi) by 0.13 at a rate (dpHi/dt) of -2 7 x 10(-4) pH/s and depolarized the cell by 45 mV. These changes were significantly more than those in control oocytes. I-V plots in the presence of NH4+ showed substantial increase in conductance. Amiloride (1 mM) inhibited I(NH4), DeltapHi and dpHi/dt in oocytes expressing Rhbg but not in control oocytes. Raising bath [NH4+] in increments from 1 to 20 mM elicited a faster dpHi/dt, a larger decrease in pHi and a larger depolarization. Net NH4+ flux by Rhbg (estimated from dpHi/dt) was proportional to [NH4+] gradient and followed saturation kinetics with an apparent Km of 2.3 mM. Methyl ammonium (5 mM) induced a current of -63 nA in Rhbg oocytes but did not cause any change in control oocytes. These data indicate that: 1) Rhbg transport of NH4+ is electrogenic. 2) Methyl ammonium is transported by Rhbg. 3) NH4+ transport by Rhbg is saturated at high concentrations with Michaelis-Menten kinetics.

  4. Transition State Characterization for the Reversible Binding of Dihydrogen to Bis(2,2'-bipyridine)rhodium(l) from Temperature- and Pressure-Dependent Experimental and Theoretical Studies

    SciTech Connect

    Fujita,E.; Brunschwig, B.; Creutz, C.; Muckerman, J.; Sutin, N.; Szaida, D.; van Eldik, R.

    2006-01-01

    Thermodynamic and kinetic parameters for the oxidative addition of H2 to [Rh{sup II}(bpy){sub 2}]{sup +} (bpy = 2,2'-bipyridine) to form [Rh{sup III}(H){sub 2}(bpy){sub 2}]{sup +}were determined from either the UV-vis spectrum of equilibrium mixtures of [Rh{sup II}(bpy){sub 2}]{sup +} and [Rh{sup III}(H){sub 2}(bpy){sub 2}]{sup +} or from the observed rates of dihydride formation following visible-light irradiation of solutions containing [Rh{sup III}(H){sub 2}(bpy){sub 2}]{sup +} as a function of H{sub 2} concentration, temperature, and pressure in acetone and methanol. The activation enthalpy and entropy in methanol are 10.0 kcal mol{sup -1} and -18 cal mol{sup -1} K{sup -1}, respectively. The reaction enthalpy and entropy are -10.3 kcal mol{sup -1} and -19 cal mol{sup -1} K{sup -1}, respectively. Similar values were obtained in acetone. Surprisingly, the volumes of activation for dihydride formation (-15 and -16 cm{sup 3} mol{sup -1} in methanol and acetone, respectively) are very close to the overall reaction volumes (-15 cm3 mol-1 in both solvents). Thus, the volumes of activation for the reverse reaction, elimination of dihydrogen from the dihydrido complex, are approximately zero. B3LYP hybrid DFT calculations of the transition-state complex in methanol and similar MP2 calculations in the gas phase suggest that the dihydrogen has a short H-H bond (0.823 and 0.810 Angstroms, respectively) and forms only a weak Rh-H bond (1.866 and 1.915 Angstroms, respectively). Equal partial molar volumes of the dihydrogenrhodium(I) transition state and dihydridorhodium(III) can account for the experimental volume profile found for the overall process.

  5. The impact of dihydrogen phosphate anions on the excited-state proton transfer of harmane. Effect of β-cyclodextrin on these photoreactions.

    PubMed

    Reyman, Dolores; Viñas, Montserrat H; Tardajos, Gloria; Mazario, Eva

    2012-01-12

    Photoinduced proton transfer reactions of harmane (1-methyl-9H-pyrido[3,4-b]indole) (HAR) in the presence of a proton donor/acceptor such as dihydrogen phosphate anions in aqueous solution have been studied by stationary and time-resolved fluorescence spectroscopy. The presence of high amounts of dihydrogen phosphate ions modifies the acid/base properties of this alkaloid. Thus, by keeping the pH constant at pH 8.8 and by increasing the amount of NaH(2)PO(4) in the solution, it is possible to reproduce the same spectral profiles as those obtained in high alkaline solutions (pH >12) in the absence of NaH(2)PO(4). Under these conditions, a new fluorescence profile appears at around 520 nm. This result could be related to the results of a recent investigation which suggests that a high intake of phosphates may promote skin tumorigenesis. The presence of β-cyclodextrin (β-CD) avoids the proton transfer reactions in this alkaloid by means the formation of an inclusion complex between β-CD and HAR. The formation of this complex originates a remarkable enhancement of the emission intensity from the neutral form in contrast to the cationic and zwitterionic forms. A new lifetime was obtained at 360 nm (2.5 ns), which was associated with the emission of this inclusion complex. At this wavelength, the fluorescence intensity decay of HAR can be described by a linear combination of two exponentials. From the ratio between the pre-exponential factors, we have obtained a value of K = 501 M for the equilibrium of formation of this complex.

  6. Tuning the electronic properties and work functions of graphane/fully hydrogenated h-BN heterobilayers via heteronuclear dihydrogen bonding and electric field control.

    PubMed

    Liang, Qiuhua; Jiang, Junke; Meng, Ruishen; Ye, Huaiyu; Tan, Chunjian; Yang, Qun; Sun, Xiang; Yang, Daoguo; Chen, Xianping

    2016-06-28

    Using density functional theory calculations with van der Waals correction, we show that the electronic properties (band gap and carrier mobility) and work functions of graphane/fully hydrogenated hexagonal boron nitride (G/fHBN) heterobilayers can be favorably tuned via heteronuclear dihydrogen bonding (C-HH-B and C-HH-N) and an external electric field. Our results reveal that G/fHBN heterobilayers have different direct band gaps of ∼1.2 eV and ∼3.5 eV for C-HH-B and C-HH-N bonds, respectively. In particular, these band gaps can be effectively modulated by altering the direction and strength of the external electric field (E-field), and correspondingly exhibit a semiconductor-metal transition. The conformation and stability of G/fHBN heterobilayers show a strong dependence on the heteronuclear dihydrogen bonding. Fantastically, these bonds are stable enough under a considerable external E-field as compared with other van der Waals (vdW) 2D layered materials. The mobilities of G/fHBN heterobilayers we predicted are hole-dominated, reasonably high (improvable up to 200 cm(2) V(-1) s(-1)), and extremely isotropic. We also demonstrate that the work function of G/fHBN heterobilayers is very sensitive to the external E-field and is extremely low. These findings make G/fHBN heterobilayers very promising materials for field-effect transistors and light-emitting devices, and inspire more efforts in the development of 2D material systems using weak interlayer interactions and electric field control.

  7. Proton-transfer and H2-elimination reactions of trimethylamine alane: role of dihydrogen bonding and Lewis acid-base interactions.

    PubMed

    Filippov, Oleg A; Tsupreva, Victoria N; Golubinskaya, Lyudmila M; Krylova, Antonina I; Bregadze, Vladimir I; Lledos, Agusti; Epstein, Lina M; Shubina, Elena S

    2009-04-20

    Proton-transfer and H(2)-elimination reactions of aluminum hydride AlH(3)(NMe(3)) (TMAA) with XH acids were studied by means of IR and NMR spectroscopy and DFT calculations. The dihydrogen-bonded (DHB) intermediates in the interaction of the TMAA with XH acids (CH(3)OH, (i)PrOH, CF(3)CH(2)OH, adamantyl acetylene, indole, 2,3,4,5,6-pentafluoroaniline, and 2,3,5,6-tetrachloroaniline) were examined experimentally at low temperatures, and the spectroscopic characteristics, dihydrogen bond strength and structures, and the electronic and energetic characteristics of these complexes were determined by combining experimental and theoretical approaches. The possibility of two different types of DHB complexes with polydentate proton donors (typical monodentate and bidentate coordination with the formation of a symmetrical chelate structure) was shown by DFT calculations and was experimentally proven in solution. The DHB complexes are intermediates of proton-transfer and H(2)-elimination reactions. The extent of this reaction is very dependent on the acid strength and temperature. With temperature increases the elimination of H(2) was observed for OH and NH acids, yielding the reaction products with Al-O and Al-N bonds. The reaction mechanism was computationally studied. Besides the DHB pathway for proton transfer, another pathway starting from a Lewis complex was discovered. Preference for one of the pathways is related to the acid strength and the nucleophilicity of the proton donor. As a consequence of the dual Lewis acid-base nature of neutral aluminum hydride, participation of a second ROH molecule acting as a bifunctional catalyst forming a six-member cycle connecting aluminum and hydride sites notably reduces the reaction barrier. This mechanism could operate for proton transfer from weak OH acids to TMAA in the presence of an excess of proton donor.

  8. Doping optimization of polypyrrole with toluenesulfonic acid using Box-Behnken design

    SciTech Connect

    Syed Draman, Sarifah Fauziah; Daik, Rusli; El-Sheikh, Said M.; Latif, Famiza Abdul

    2013-11-27

    A three-level Box-Behnken design was employed in doping optimization of polypyrrole with toluenesulfonic acid (TSA-doped PPy). The material was synthesized via chemical oxidative polymerization using pyrrole, toluenesulfonic acid (TSA) and ammonium persulfate (APS) as monomer, dopant and oxidant, respectively. The critical factors selected for this study were concentration of dopant, molar ratio between dopant to monomer (pyrrole) and concentration of oxidant. Obtaining adequate doping level of TSA-doped PPy is crucial because it affects the charge carriers for doped PPy and usually be responsible for electronic mobility along polymeric chain. Furthermore, the doping level also affects other properties such as electrical and thermal conductivity. Doping level was calculated using elemental analysis. SEM images shows that the prepared TSA-doped PPy particles are spherical in shape with the diameters of about. The range of nanoparticles size is around 80-100 nm. The statistical analysis based on a Box–Behnken design showed that 0.01 mol of TSA, 1:1 mole ratio TSA to pyrrole and 0.25 M APS were the optimum conditions for sufficient doping level.

  9. Size-dependent reactions of ammonium bisulfate clusters with dimethylamine.

    PubMed

    Bzdek, Bryan R; Ridge, Douglas P; Johnston, Murray V

    2010-11-04

    The reaction kinetics of ammonium bisulfate clusters with dimethylamine (DMA) gas were investigated using Fourier transform ion cyclotron resonance mass spectrometry (FTICR-MS). Clusters ranged in size from 1 to 10 bisulfate ions. Although displacement of the first several ammonium ions by DMA occurred with near unit efficiency, displacement of the final ammonium ion was cluster size dependent. For small clusters, all ammonium ions are exposed to incoming DMA molecules, allowing for facile exchange ("surface" exchange). However, with increasing cluster size, an ammonium ion can be trapped in an inaccessible region of the cluster ("core" exchange), thereby rendering exchange difficult. DMA was also observed to add onto existing dimethylaminium bisulfate clusters above a critical size, whereas ammonia did not add onto ammonium bisulfate clusters. The results suggest that as the cluster size increases, di-dimethylaminium sulfate formation becomes more favorable. The results of this study give further evidence to suggest that ambient sub-3 nm diameter particles are likely to contain aminium salts rather than ammonium salts.

  10. Population of Nitrifying Bacteria and Nitrification in Ammonium Saturated Clinoptilolite

    NASA Technical Reports Server (NTRS)

    McGilloway, R. L.; Weaver, R. W.; Ming, Douglas W.; Gruener, J.

    1999-01-01

    As humans begin to spend longer periods of time in space, plants will be incorporated into life support systems. Ammonium saturated clinoptilolite is one plant growth substrate but a balance between ammonium and nitrate is needed. A laboratory study was conducted to determine effects of nitrifying bacteria on ammonium concentrations and kinetics of nitrification. Columns containing clinoptilolite substrate amended with nitrifying bacteria obtained from soil enrichment were analyzed weekly for a 90 day period. The enrichment culture initially contained 1 x 10(exp 5) ammonium oxidizing bacteria and 1 x 10(exp 2) nitrite oxidizing bacteria per gram of substrate. Populations of ammonium oxidizing bacteria increased to 1 x 10(exp 6) and nitrite oxidizing bacteria increased to 1 x 10(exp 3) per gram of substrate. The nitrification rate was approximately 0.25mg NO3(-)-N/kg.hr. Experiments were also conducted to enumerate nitrifying bacteria in a clinoptilolite substrate used to grow wheat (Triticum aestivum L.). Seventy days following the initial inoculation with an unknown number of commercial nitrifying bacteria, 1 x 10(exp 5) ammonium oxidizing bacteria per gram of substrate were present. The number of nitrite oxidizing bacteria was between 1 x 10(exp 3) to 10(exp 4) per gram of substrate as measured by the most probable number method. Nitrification rates were approximately 0.20mg NO3(-)-N/kg.hr. Clinoptilolite readily exchanged sufficient concentrations of ammonium to support nitrifying bacteria and they survived well in this medium.

  11. Effective ammonium removal by anaerobic oxidation in microbial fuel cells.

    PubMed

    Jadhav, Dipak A; Ghangrekar, Makarand M

    2015-01-01

    Dual-chamber microbial fuel cells (MFCs), made of clayware cylinder, were operated at different chemical oxygen demands: ammonium-nitrogen (COD:NH4+) ratio (1:1, 10:1 and 5:1) under batch mode for simultaneous removal of ammonia and organic matter from wastewater. Ammonium-N removal efficiencies of 63-32.66% were obtained for COD:NH4+ ratio of 1:10, respectively. Average COD removal efficiencies demonstrated by these MFCs were about 88%; indicating effective use of MFCs for treatment of wastewater containing organic matter and high ammonia concentration. MFCs operated with COD:NH4+ ratio of 10:1 produced highest volumetric power density of 752.88 mW/m3. The ammonium-N removal slightly increased when microbes were exposed to only ammonium as a source of electron when organic source was not supplemented. When this MFC was operated with imposed potential on cathode and without aeration in the cathode chamber, oxidation of ammonium ions at a faster rate confirmed anaerobic oxidation. During the non-turnover condition of cyclic voltammetry, MFC operated with COD:NH4+ ratio of 10:1 gave higher oxidative and reductive currents than MFC operated with COD:NH4+ ratio of 1:1 due to higher redox species. Successful application of such an anammox process for ammonium oxidation in MFCs will be useful for treatment of wastewater containing higher ammonium concentration and harvesting energy in the form of electricity.

  12. Population of Nitrifying Bacteria and Nitrification in Ammonium Saturated Clinoptilolite

    NASA Technical Reports Server (NTRS)

    McGilloway, R. L.; Weaver, R. W.; Ming, Douglas W.; Gruener, J.

    1999-01-01

    As humans begin to spend longer periods of time in space, plants will be incorporated into life support systems. Ammonium saturated clinoptilolite is one plant growth substrate but a balance between ammonium and nitrate is needed. A laboratory study was conducted to determine effects of nitrifying bacteria on ammonium concentrations and kinetics of nitrification. Columns containing clinoptilolite substrate amended with nitrifying bacteria obtained from soil enrichment were analyzed weekly for a 90 day period. The enrichment culture initially contained 1 x 10(exp 5) ammonium oxidizing bacteria and 1 x 10(exp 2) nitrite oxidizing bacteria per gram of substrate. Populations of ammonium oxidizing bacteria increased to 1 x 10(exp 6) and nitrite oxidizing bacteria increased to 1 x 10(exp 3) per gram of substrate. The nitrification rate was approximately 0.25mg NO3(-)-N/kg.hr. Experiments were also conducted to enumerate nitrifying bacteria in a clinoptilolite substrate used to grow wheat (Triticum aestivum L.). Seventy days following the initial inoculation with an unknown number of commercial nitrifying bacteria, 1 x 10(exp 5) ammonium oxidizing bacteria per gram of substrate were present. The number of nitrite oxidizing bacteria was between 1 x 10(exp 3) to 10(exp 4) per gram of substrate as measured by the most probable number method. Nitrification rates were approximately 0.20mg NO3(-)-N/kg.hr. Clinoptilolite readily exchanged sufficient concentrations of ammonium to support nitrifying bacteria and they survived well in this medium.

  13. Ammonium Hydrosulfide and Jupiter's Great Red Spot

    NASA Astrophysics Data System (ADS)

    Loeffler, M. J.; Hudson, R.; Chanover, N.; Simon, A. A.

    2014-12-01

    The color and composition of Jupiter's Great Red Spot (GRS) has been debated for more than a century. While there are numerous hypotheses for the origin of Jupiter's GRS, recent work suggests that the GRS's color could originate from multiple components (Carlson et al., 2012; Simon et al., submitted). In light of this, we have recently begun conducting in situ laboratory experiments that test whether ammonium hydrosulfide, NH4SH, or its radiation decomposition products contribute to the GRS spectrum. In this presentation, we will discuss some of our most recent results, where we have studied the stability of NH4SH samples as a function of temperature using infrared and mass spectrometry. Funding for this work has been provided by NASA's Planetary Atmospheres and Outer Planets Research programs. ReferencesCarlson, R. W., K. H. Baines, M. S. Anderson, G. Filacchione. Chromophores from photolyzed ammonia reacting with acetylene: Application to Jupiter's Great Red Spot, DPS, 44, 2012. Simon, A. A., J. Legarreta, F. Sanz-Requena, S. Perez-Hoyos, E. Garcia-Melendo, R. W. Carlson. Spectral Comparison and Stability of Red Regions on Jupiter. J. Geophys. Res. - Planets, submitted.

  14. Combustion of ammonium and hydrazine azides

    SciTech Connect

    Fogelzang, A.E.; Egorshev, V.Y.; Sinditsky, V.P.; Kolesov, B.I. )

    1992-09-01

    This paper reports that steady-state combustion of ammonium azide (AA) and hydrazne azide (HA) was studied in a window constant-pressure bomb over a pressure range of 0.1-36 MPa. HA burns three to four times faster than AA over the whole pressure range. The temperature distribution in the combustion wave of AA and HA was measured using 5-{mu}m-thick {pi}-shaped tungsten-rhenium tape thermocouples. The combustion temperature of both compounds is 240-430 K higher than the temperature calculated for the thermodynamically equilibrium composition of the combustion products due to the presence of large amounts of ammonia (0.97 and 0.87 mol per AA and HA mole, respectively). The burning surface is formed via dissociation of the salts into hydrazoic acid HN{sub 3} and the parent base. The growth of the surface temperature with pressure is determined by the dissociation enthalpy of the slats. The burning rate of these compounds is determined by heat release in the gas phase.

  15. Ambient Ammonium Contribution to total Nitrogen Deposition ...

    EPA Pesticide Factsheets

    There has been a wealth of evidence over the last decade illustrating the rising importance of reduced inorganic nitrogen (NHx = ammonia gas, NH3, plus particulate ammonium, p-NH4) in the overall atmospheric mass balance and deposition of nitrogen as emissions of oxidized nitrogen have decreased throughout a period of stable or increasing NH3 emissions. In addition, the fraction of ambient ammonia relative to p-NH4 generally has risen as a result of decreases in both oxides of nitrogen and sulfur emissions. EPA plans to consider ecological effects related to deposition of nitrogen, of which NHx is a contributing component, in the review of secondary National Ambient Air Quality Standards (NAAQS) for oxides of nitrogen and sulfur (NOx/SOx standard). Although these ecological effects are associated with total nitrogen deposition, it will be important to understand the emissions sources contributing to the total nitrogen deposition and to understand how much of the total nitrogen deposition is from deposition of NHx versus other nitrogen species. Because p-NH4 contributes to nitrogen deposition and can also be a significant component of particulate matter, there is a potential overlap in addressing nitrogen based deposition effects in the secondary PM and NOx/SOx NAAQS. Consequently, there is a policy interest in quantifying the contribution of p-NH4 to total nitrogen deposition. While dry deposition of p-NH4 is calculated through a variety of modeling app

  16. Quaternary Ammonium Biocides: Efficacy in Application

    PubMed Central

    2014-01-01

    Quaternary ammonium compounds (QACs) are among the most commonly used disinfectants. There has been concern that their widespread use will lead to the development of resistant organisms, and it has been suggested that limits should be place on their use. While increases in tolerance to QACs have been observed, there is no clear evidence to support the development of resistance to QACs. Since efflux pumps are believe to account for at least some of the increased tolerance found in bacteria, there has been concern that this will enhance the resistance of bacteria to certain antibiotics. QACs are membrane-active agents interacting with the cytoplasmic membrane of bacteria and lipids of viruses. The wide variety of chemical structures possible has seen an evolution in their effectiveness and expansion of applications over the last century, including non-lipid-containing viruses (i.e., noroviruses). Selection of formulations and methods of application have been shown to affect the efficacy of QACs. While numerous laboratory studies on the efficacy of QACs are available, relatively few studies have been conducted to assess their efficacy in practice. Better standardized tests for assessing and defining the differences between increases in tolerance versus resistance are needed. The ecological dynamics of microbial communities where QACs are a main line of defense against exposure to pathogens need to be better understood in terms of sublethal doses and antibiotic resistance. PMID:25362069

  17. Aerosol isotopic ammonium signatures over the remote Atlantic Ocean

    NASA Astrophysics Data System (ADS)

    Lin, C. T.; Jickells, T. D.; Baker, A. R.; Marca, A.; Johnson, M. T.

    2016-05-01

    We report aerosol ammonium 15N signatures for samples collected from research cruises on the South Atlantic and Caribbean using a new high sensitivity method. We confirm a pattern of isotopic signals from generally light (δ15N -5 to -10‰), for aerosols with very low (<2 nmol m-3) ammonium concentrations from the remote high latitude ocean, to generally heavier values (δ15N +5 to +10‰), for aerosols collected in temperate and tropical latitudes and with higher ammonium concentrations (>2 nmol m-3). We discuss whether this reflects a mixing of aerosols from two end-members (polluted continental and remote marine emissions), or isotopic fractionation during aerosol transport.

  18. Antimicrobial Polymeric Materials with Quaternary Ammonium and Phosphonium Salts

    PubMed Central

    Xue, Yan; Xiao, Huining; Zhang, Yi

    2015-01-01

    Polymeric materials containing quaternary ammonium and/or phosphonium salts have been extensively studied and applied to a variety of antimicrobial-relevant areas. With various architectures, polymeric quaternary ammonium/phosphonium salts were prepared using different approaches, exhibiting different antimicrobial activities and potential applications. This review focuses on the state of the art of antimicrobial polymers with quaternary ammonium/phosphonium salts. In particular, it discusses the structure and synthesis method, mechanisms of antimicrobial action, and the comparison of antimicrobial performance between these two kinds of polymers. PMID:25667977

  19. Doping in competition or doping in sport?

    PubMed

    Lippi, Giuseppe; Franchini, Massimo; Guidi, Gian Cesare

    2008-01-01

    Since ancient times, competitive athletes have been familiar with the use of ergogenic aids and they will probably continue to use unfair and harmful substances in future, because their inclination to victory, along with the mirage of glory and money, will probably overcome health and legal risks. We searched PubMed using the term doping over the period 1990 to the present day. We also included non-English journals. By literature searching, it emerges that the phenomenon of doping is complex and multifaceted. It involves a number of causes and factors that do not originate solely in the athletic field, making universality its main feature. It is in fact observed in all ages and levels of competition, and it concerns all sports, even the most unpredictable. The high number of athletes testing positive for anti-doping controls attests that the current strategy might be analytically adequate to unmask most (but not all) doping practices, but it is probably ineffective to prevent athletes to dope and modify this upsetting trend. Growing points As doping parallels the use of medications, food supplements, alcohol and social drugs, a reinforced preventive policy is advisable. The current anti-doping policy should be replaced with a more efficient and practical strategy to identify and monitor abnormal and harmful deviations of the biochemical and haematological profiles.

  20. 21 CFR 73.2298 - Ferric ammonium ferrocyanide.

    Code of Federal Regulations, 2014 CFR

    2014-04-01

    ... LISTING OF COLOR ADDITIVES EXEMPT FROM CERTIFICATION Cosmetics § 73.2298 Ferric ammonium ferrocyanide. (a... ferrocyanide is safe for use in coloring externally applied cosmetics, including cosmetics applied to the area...

  1. Chemical Advisory - Solid Ammonium Nitrate (AN) Storage, Handling and Management

    EPA Pesticide Factsheets

    Advisory contains information on recent and past accidents involving AMMONIUM NITRATE (commonly referred to as AN), on the hazards of AN, how to manage these hazards, and appropriate steps for community emergency planning and proper emergency response.

  2. Formation of urea and guanidine by irradiation of ammonium cyanide.

    NASA Technical Reports Server (NTRS)

    Lohrmann, R.

    1972-01-01

    Aqueous solutions of ammonium cyanide yield urea, cyanamide and guanidine when exposed to sunlight or an unfiltered 254 nm ultraviolet source. The prebiotic significance of these results is discussed.

  3. Direct esterification of ammonium salts of carboxylic acids

    DOEpatents

    Halpern, Yuval [Skokie, IL

    2003-06-24

    A non-catalytic process for producing esters, the process comprising reacting an ammonium salt of a carboxylic acid with an alcohol and removing ammonia from the reaction mixture. Selectivities for the desired ester product can exceed 95 percent.

  4. 21 CFR 184.1296 - Ferric ammonium citrate.

    Code of Federal Regulations, 2013 CFR

    2013-04-01

    ... brown or garnet red scales or granules or as a brownish-yellowish powder. (2) Ferric ammonium citrate... occurs as thin transparent green scales, as granules, as a powder, or as transparent green crystals. (b...

  5. 21 CFR 184.1296 - Ferric ammonium citrate.

    Code of Federal Regulations, 2012 CFR

    2012-04-01

    ... brown or garnet red scales or granules or as a brownish-yellowish powder. (2) Ferric ammonium citrate... occurs as thin transparent green scales, as granules, as a powder, or as transparent green crystals. (b...

  6. 21 CFR 172.165 - Quaternary ammonium chloride combination.

    Code of Federal Regulations, 2010 CFR

    2010-04-01

    ... (CONTINUED) FOOD FOR HUMAN CONSUMPTION (CONTINUED) FOOD ADDITIVES PERMITTED FOR DIRECT ADDITION TO FOOD FOR HUMAN CONSUMPTION Food Preservatives § 172.165 Quaternary ammonium chloride combination. The food...

  7. Formation of urea and guanidine by irradiation of ammonium cyanide.

    NASA Technical Reports Server (NTRS)

    Lohrmann, R.

    1972-01-01

    Aqueous solutions of ammonium cyanide yield urea, cyanamide and guanidine when exposed to sunlight or an unfiltered 254 nm ultraviolet source. The prebiotic significance of these results is discussed.

  8. High-affinity ammonium transporters and nitrogen sensing in mycorrhizas.

    PubMed

    Javelle, Arnaud; André, Bruno; Marini, Anne Marie; Chalot, Michel

    2003-02-01

    Most terrestrial plants live in mutualistic symbiosis with root-infecting mycorrhizal fungi. This association requires a molecular dialogue between the two partners. However, the nature of the chemical signals that induce hyphal differentiation are not well characterized and the mechanisms for signal reception are still unknown. In addition to its role in ammonium scavenging, the Mep2 protein from Saccharomyces cerevisiae has been proposed to act as an ammonium sensor that is essential for pseudohyphal differentiation in response to ammonium limitation. We propose that the high-affinity ammonium transporters from mycorrhizal fungi act in a similar manner to sense the environment and induce, via as-yet-unidentified signal transduction cascades, the switch in the mode of fungal growth observed during the formation of mycorrhiza.

  9. Deliquescence behavior of organic/ammonium sulfate aerosol

    NASA Astrophysics Data System (ADS)

    Brooks, Sarah D.; Wise, Matthew E.; Cushing, Melinda; Tolbert, Margaret A.

    2002-10-01

    Recent studies have shown that tropospheric aerosols composed of internal mixtures of organics with sulfates are quite common with the organic composing up to 50% of the particle mass. The influences of the organics on the chemical and physical properties of the aerosol are not known. In this paper, we report the solubility of a series of dicarboxylic acids in saturated ammonium sulfate solution as a function of temperature. We also report the deliquescence relative humidity (DRH) of the pure dicarboxylic acids and of mixtures of dicarboxylic acids with ammonium sulfate. For the systems studied, we find that the presence of water-soluble dicarboxylic acids caused deliquescence to occur at a lower relative humidity (RH) than pure ammonium sulfate. In contrast, the less soluble dicarboxylic acids had no measurable effect on the deliquescence relative humidity of ammonium sulfate.

  10. The effect of ammonium sulfate injection on peripheral nerve.

    PubMed

    Kobayashi, J; Mackinnon, S E; Langer, J C; Hertl, M C; Hunter, D A; Tarasidis, G

    1997-08-01

    Local anesthetic drugs with prolonged nerve-block effect would have clinical application for postoperative or neuromatous pain relief. This study evaluated the possibility of peripheral nerve neurotoxicity by injection of 10 percent ammonium sulfate. Both intrafascicular and extrafascicular injection of 10 percent ammonium sulfate were tested in the rat sciatic nerve model. One percent lidocaine HCl, 5 percent phenol, and normal saline were similarly injected for comparison. Using histologic studies and motor function evaluation with walking-track analysis, 10 percent ammonium sulfate was found to be neurotoxic when it is injected intrafascicularly; however, extrafascicular injection of this drug did not cause significant nerve injury. The neurotoxicity of the 10 percent ammonium sulfate solution was intermediate between the neurotoxicity of 0.1 percent lidocaine hydrochloride and the marked neurotoxicity of 5 percent phenol solution.

  11. 14N NQR and relaxation in ammonium nitrate

    NASA Astrophysics Data System (ADS)

    Stephenson, David

    2015-04-01

    The complete 14N nuclear quadrupole resonance (NQR) spectrum of ammonium nitrate is presented recorded using two double resonance techniques - double contact cross relaxation and zero field NQR. The spectra gave the quadrupole coupling constant (Qcc) and asymmetry parameter ( η) values for the nitro of 611 kHz, 0.229 and that for the ammonium nitrogen of 242 kHz, 0.835. The three relaxation transition probabilities have been determined for both the nitro and ammonium nitrogen atoms. The bi-exponential relaxation times (T 1) were measured at 295 K. The values for nitro are 16.9 s and 10.5 s and that of the ammonium are 23.0 s and 16.4 s.

  12. Nitrogen removal with the anaerobic ammonium oxidation process.

    PubMed

    Hu, Ziye; Lotti, Tommaso; van Loosdrecht, Mark; Kartal, Boran

    2013-08-01

    Anaerobic ammonium-oxidizing (anammox) bacteria convert ammonium to N2 with nitrite as the terminal electron acceptor in the absence of O2. Nitritation-anammox bioreactors provide a cost-effective and environment-friendly alternative to conventional nitrification/denitrification nitrogen removal systems. Currently, this process is only applied for ammonium removal from wastewater with high ammonium load and temperature. Nevertheless, recent results obtained with laboratory-scale bioreactors suggest new possible routes of application of the Nitritation-anammox technology including (1) municipal wastewater treatment, removal of (2) methane in combination with nitrite-reducing methane-oxidizing bacteria, (3) nitrate coupled to organic acid oxidation and (4) nitrogen oxides. The current review summarizes the state-of-the-art of the application of Nitritation-anammox systems and discusses the possibilities of utilizing these recent results for wastewater treatment.

  13. Analytical techniques for determining bound ammonium

    SciTech Connect

    Altaner, S.P.; Krohn, M.D

    1985-01-01

    Ammonium (NH/sub 4//sup +/) has been found to substitute for alkali cations in feldspars, micas, smectites, and alunites several Hg/Au-bearing hot springs deposits and volcanogenic stratabound Pb/Zn deposits. The authors compared four analytical techniques for determining the NH/sub 4//sup +/ content in rocks from these types of deposit and in synthetic NH/sub 4//sup +/-bearing feldspars, micas, and alunites: 1) X-ray diffraction (XRD), 2) mid- and 3) near-infrared spectroscopy (MIR and NIR) and 4) ion chromatography (IC). MIR analysis of synthetic minerals indicates that 7 ..mu..m band depth depends upon mineral type but that, for a given mineral, band depth is directly proportional to NH/sub 4//sup +/ concentration. NIR reflectance spectroscopy gives a rapid qualitative determination of NH/sub 4//sup +/ and allows positive field identification of NH/sub 4//sup +/. 4) IC gives a measure of the percent of NH/sub 4//sup +/ substitution by determining NH/sub 4//sup +/, K/sup +/, and Na/sup +/ concentrations. The procedure involves sample dissolution by HCl and HF in a microwave oven followed by separation and detection by an ion chromatograph. They estimate the detection limits of these analytical techniques for NH/sub 4//sup +/ concentration to be: XRD, 10-20% NH/sub 4//sup +/; MIR, 1-5% NG/sub 4//sup +/; and IC, <1% NH/sub 4//sup +/. Determination of NH/sub 4//sup +/ abundance in rocks will help to delineate the relationship of NH/sub 4//sup +/-bearing minerals to mineralization in ore deposits and promises to be an excellent method for prospecting.

  14. Redox potentials in ammonium nitrate solutions

    SciTech Connect

    Ngameni, E.; Ammaa, B.B.; Wandji, R.; Bessiere, J.

    1995-03-01

    The redox potentials of M{sup n+}/M (M{sup n+} = Cu{sup 2+}, Pb{sup 2+}, Sn{sup 2+}, Cd{sup 2+}, Ag{sup +}, Zn{sup 2+}, Hg{sup 2+}), M{sup n+}/M {sup (n{minus}m)+} (Fe{sup 3+}/Fe{sup 2+}, Fe(CN){sub 6}3{minus}/Fe(CN){sub 6}{sup 4{minus}}), and AgX/Ag, X{sup {minus}} (X = Cl, Br, and I) have been measured in aqueous solutions of ammonium nitrate (1--14 M). The variation of salvation of ions, characterized by the solvent transfer coefficient f{sup tr}, is calculated from the normal redox potentials of the systems. For all the cases, the potential of the ferricinium/ferrocene system (Fe{sup +}/Fc) is used as a reference of potential. It appears as a general trend that when the concentration of salt increases from 1 to 14 M, the potentials of the systems vary slightly, indicating weak interactions between these solutes and the salt. The examined ions can be classified into two groups: those that are less solvated as the concentration of NH{sub 4}NO{sub 3} increases (CU{sup 2+}, Cd{sup 2+}, Zn{sup 2+}, Cl{sup {minus}}, Br{sup {minus}}, I{sup {minus}}) and those that are more solvated, (Pb{sup 2+}, Ag{sup +}, Hg{sup 2+}, Sn{sup 2+}). The solubility constants of the AgX salts in the H{sub 2}O + NH{sub 4}NO{sub 3} mixtures are also calculated.

  15. The regulation of ammonium translocation in plants.

    PubMed

    Schjoerring, J K; Husted, S; Mäck, G; Mattsson, M

    2002-04-01

    Much controversy exists about whether or not NH(+)(4) is translocated in the xylem from roots to shoots. In this paper it is shown that such translocation can indeed take place, but that interference from other metabolites such as amino acids and amines may give rise to large uncertainties about the magnitude of xylem NH(+)(4) concentrations. Elimination of interference requires sample stabilization by, for instance, formic acid or methanol. Subsequent quantification of NH(+)(4) should be done by the OPA-fluorometric method at neutral pH with 2-mercaptoethanol as the reducing agent since this method is sensitive and reliable. Colorimetric methods based on the Berthelot reaction should never be used, as they are prone to give erroneous results. Significant concentrations of NH(+)(4), exceeding 1 mM, were measured in both xylem sap and leaf apoplastic solution of oilseed rape and tomato plants growing with NO(-)(3) as the sole N source. When NO(-)(3) was replaced by NH(+)(4), xylem sap NH(+)(4) concentrations increased with increasing external concentrations and with time of exposure to NH(+)(4). Up to 11% of the translocated N was constituted by NH(+)(4). Glutamine synthetase (GS) incorporates NH(+)(4) into glutamine, but root GS activity and expression were repressed when high levels of NH(+)(4) were supplied. Ammonium concentrations measured in xylem sap sampled just above the stem base were highly correlated with NH(+)(4) concentrations in apoplastic solution from the leaves. Young leaves tended to have higher apoplastic NH(+)(4) concentrations than older non-senescing leaves. The flux of NH(+)(4) (concentration multiplied by transpirational water flow) increased with temperature despite a decline in xylem NH(+)(4) concentration. Retrieval of leaf apoplastic NH(+)(4) involves both high and low affinity transporters in the plasma membrane of mesophyll cells. Current knowledge about these transporters and their regulation is discussed.

  16. Crystal structure of cyclo-hexyl-ammonium thio-cyanate.

    PubMed

    Bagabas, Abdulaziz A; Alhoshan, Sultan B; Ghabbour, Hazem A; Chidan Kumar, C S; Fun, Hoong-Kun

    2015-01-01

    In the title salt, C6H11NH3 (+)·SCN(-), the cyclo-hexyl-ammonium ring adopts a slightly distorted chair conformation. The ammonium group occupies an equatorial position to minimize 1,3 and 1,5 diaxial inter-actions. In the crystal, the components are linked by N-H⋯N and N-H⋯S hydrogen-bonding inter-actions, resulting in a three-dimensional network.

  17. Localized corrosion of stainless steels in ammonium chloride solutions

    SciTech Connect

    Forsen, O.; Aromaa, J.; Tavi, M.; Virtanen, J.

    1997-05-01

    Ammonium chloride deposition is a well-known problem in oil refining. When these deposits form in a moist environment, they are corrosive to carbon steel. When unexpected corrosion problems are faced, the material is often changed to alloys like stainless steels (SS). Electrochemical measurements were used to study the corrosion resistance of SS in ammonium chloride environments with different chloride contents and at different temperatures.

  18. Thermal storage in ammonium alum/ammonium nitrate eutectic for solar space heating

    SciTech Connect

    Goswami, D.Y.; Jotshi, C.K.; Klausner, J.F.; Hsieh, C.K.; Srinivasan, N.

    1995-10-01

    Ammonium alum and ammonium nitrate in the weight ratio of 1:1 forms a eutectic that melts at 53 C and crystallizes at 48 C. The latent heat of fusion of this eutectic was found to be 215 kJ/kg. Its enthalpy as measured by drop calorimetry was found to be 287 kJ/kg in the temperature range of 24--65 C, which is 1.67 times greater than water (172.2 kJ/kg) and 8.75 times greater than rock (32.8 kJ/kg). Upon several heating/cooling cycles, phase separation was observed. However, by adding 5% attapulgite clay to this eutectic mixture, phase separation was prevented. This eutectic was encapsulated in 0.0254m diameter HDPE hollow balls and subjected to about 1,100 heating/cooling cycles in the temperature range between 25 and 65 C. At the end of these cycles, the decrease in enthalpy was found to be 5%. A scale model of the heat storage unit was fabricated to investigate the heat transfer characteristics of this eutectic encapsulated in HDPE balls. The thermal extraction efficiency of the system was measured with the recirculation of hot air during charging and was found to be in the range of 85--98%.

  19. Sorption of aromatic ionizable organic compounds to montmorillonites modified by hexadecyltrimethyl ammonium and polydiallyldimethyl ammonium.

    PubMed

    Xu, Huaizhou; Wan, Yuqiu; Li, Hui; Zheng, Shourong; Zhu, Dongqiang

    2011-01-01

    Environmental residues of aromatic ionizable organic compounds (AIOCs) have received considerable attention due to their potential human health and ecological risks. The main objective of this study was to investigate the key factors and mechanisms controlling sorption of a series of anionic and zwitterionic AIOCs (two aromatic sulfonates, 4-methyl-2,6-dinitrophenol, tetracycline, sulfamethoxazole, and tannic acid) to montmorillonites modified with hexadecyltrimethyl ammonium (HDTMA) and polydiallyldimethyl ammonium (PDADMA). Compared with naphthalene (a nonpolar and nonionic solute), all AIOCs showed stronger sorption (the sorbent-to-solution distribution coefficient was in the order of 10-10 L kg) to the two organoclays in spite of the much lower hydrophobicity, indicating the predominance of electrostatic interaction in sorption. The proposed electrostatic mechanism of the tested AIOCs was supported by the pH dependency of sorption to the two organoclays. The two organoclays manifested weaker sorption affinity but faster sorption kinetics for bulky AIOCs than commercial activated carbon, resulting from the high accessibility of sorption sites in the open, ordered clay interlayer. The findings of this study highlight the potential of using HDTMA- and PDADMA-exchanged montmorillonites as effective sorbents for AIOCs in water and wastewater treatments.

  20. Thermal Decomposition Behavior of Ammonium Perchlorate and of an Ammonium-Perchlorate-Based Composite Propellant

    NASA Technical Reports Server (NTRS)

    Behrens, R.; Minier, L.

    1998-01-01

    The thermal decomposition of ammonium perchlorate (AP) and ammonium-perchlorate-based composite propellants is studied using the simultaneous thermogravimetric modulated beam mass spectrometry (STMBMS) technique. The main objective of the present work is to evaluate whether the STMBMS can provide new data on these materials that will have sufficient detail on the reaction mechanisms and associated reaction kinetics to permit creation of a detailed model of the thermal decomposition process. Such a model is a necessary ingredient to engineering models of ignition and slow-cookoff for these AP-based composite propellants. Results show that the decomposition of pure AP is controlled by two processes. One occurs at lower temperatures (240 to 270 C), produces mainly H2O, O2, Cl2, N2O and HCl, and is shown to occur in the solid phase within the AP particles. 200(micro) diameter AP particles undergo 25% decomposition in the solid phase, whereas 20(micro) diameter AP particles undergo only 13% decomposition. The second process is dissociative sublimation of AP to NH3 + HClO4 followed by the decomposition of, and reaction between, these two products in the gas phase. The dissociative sublimation process occurs over the entire temperature range of AP decomposition, but only becomes dominant at temperatures above those for the solid-phase decomposition. AP-based composite propellants are used extensively in both small tactical rocket motors and large strategic rocket systems.

  1. The thermal decomposition behavior of ammonium perchlorate and of an ammonium-perchlorate-based composite propellant

    SciTech Connect

    Behrens, R.; Minier, L.

    1998-03-24

    The thermal decomposition of ammonium perchlorate (AP) and ammonium-perchlorate-based composite propellants is studied using the simultaneous thermogravimetric modulated beam mass spectrometry (STMBMS) technique. The main objective of the present work is to evaluate whether the STMBMS can provide new data on these materials that will have sufficient detail on the reaction mechanisms and associated reaction kinetics to permit creation of a detailed model of the thermal decomposition process. Such a model is a necessary ingredient to engineering models of ignition and slow-cookoff for these AP-based composite propellants. Results show that the decomposition of pure AP is controlled by two processes. One occurs at lower temperatures (240 to 270 C), produces mainly H{sub 2}O, O{sub 2}, Cl{sub 2}, N{sub 2}O and HCl, and is shown to occur in the solid phase within the AP particles. 200{micro} diameter AP particles undergo 25% decomposition in the solid phase, whereas 20{micro} diameter AP particles undergo only 13% decomposition. The second process is dissociative sublimation of AP to NH{sub 3} + HClO{sub 4} followed by the decomposition of, and reaction between, these two products in the gas phase. The dissociative sublimation process occurs over the entire temperature range of AP decomposition, but only becomes dominant at temperatures above those for the solid-phase decomposition. AP-based composite propellants are used extensively in both small tactical rocket motors and large strategic rocket systems.

  2. Nitric oxide controls nitrate and ammonium assimilation in Chlamydomonas reinhardtii.

    PubMed

    Sanz-Luque, Emanuel; Ocaña-Calahorro, Francisco; Llamas, Angel; Galvan, Aurora; Fernandez, Emilio

    2013-08-01

    Nitrate and ammonium are major inorganic nitrogen sources for plants and algae. These compounds are assimilated by means of finely regulated processes at transcriptional and post-translational levels. In Chlamydomonas, the expression of several genes involved in high-affinity ammonium (AMT1.1, AMT1.2) and nitrate transport (NRT2.1) as well as nitrate reduction (NIA1) are downregulated by ammonium through a nitric oxide (NO)-dependent mechanism. At the post-translational level, nitrate/nitrite uptake and nitrate reductase (NR) are also inhibited by ammonium, but the mechanisms implicated in this regulation are scarcely known. In this work, the effect of NO on nitrate assimilation and the high-affinity ammonium uptake was addressed. NO inhibited the high-affinity uptake of ammonium and nitrate/nitrite, as well as the NR activity, in a reversible form. In contrast, nitrite reductase and glutamine synthetase activities were not affected. The in vivo and in vitro studies suggested that NR enzyme is inhibited by NO in a mediated process that requires the cell integrity. These data highlight a role of NO in inorganic nitrogen assimilation and suggest that this signalling molecule is an important regulator for the first steps of the pathway.

  3. The ground water ammonium sorption onto Croatian and Serbian clinoptilolite.

    PubMed

    Siljeg, Mario; Foglar, Lucija; Kukucka, Miroslav

    2010-06-15

    The removal of ammonium from the Valpovo region ground water (VGW) with the use of natural clinoptilolite samples from the Donje Jesenje deposit (Croatia) and the Zlatokop deposit in Vranjska Banja (Serbia) was studied. The natural Serbian (SZ) and Croatian zeolites (CZ) were transformed to the Na-form (Na-CZ and Na-SZ) in order to increase the exchange capacity of zeolite. The CZ and SZ theoretic ammonium sorption capacities were 24.24 mg NH(4)(+)/g CZ and 32.55 mg NH(4)(+)/g SZ, respectively. The application of natural and Na-form of clinoptilolite for efficient removal of ammonium ions from VGW was further investigated. For that purpose, the four "filter guard" vessels filled with zeolite samples were set in parallel in the ground water purification pilot plant. The complete ammonium removal, with the use of SZ and Na-SZ was achieved during 20 h. After having observed saturation of clinoptilolite, the samples were regenerated with the use of 2 mol/L NaCl, and reused for determination of ammonium sorption efficiency. The regenerated samples showed to be still very efficient for NH(4)(+) removal and, in addition, the SZ was shown as superior for ammonium removal in comparison to the CZ.

  4. Removal of ammonium from municipal landfill leachate using natural zeolites.

    PubMed

    Ye, Zhihong; Wang, Jiawen; Sun, Lingyu; Zhang, Daobin; Zhang, Hui

    2015-01-01

    Ammonium ion-exchange performance of the natural zeolite was investigated in both batch and column studies. The effects of zeolite dosage, contact time, stirring speed and pH on ammonium removal were investigated in batch experiments. The result showed that ammonium removal efficiency increased with an increase in zeolite dosage from 25 to 150 g/L, and an increase in stirring speed from 200 to 250 r/min. But further increase in zeolite dosage and stirring speed would result in an unpronounced increase of ammonium removal. The optimal pH for the removal of ammonium was found as 7.1. In the column studies, the effect of flow rate was investigated, and the total ammonium removal percentage during 180 min operation time decreased with the flow rate though the ion-exchange capacity varied to a very small extent with the flow rate ranging from 4 to 9 mL/min. The spent zeolite was regenerated by sodium chloride solution and the ammonia removal capacity of zeolite changed little or even increased after three regeneration cycles.

  5. [Interdisciplinary strategies versus doping].

    PubMed

    Vitzthum, Karin; Mache, Stefanie; Quarcoo, David; Groneberg, David A; Schöffel, Norman

    2010-06-01

    Doping is a phenomenon which in the past years through the various incidences in professional cycling has come more and more into the focus of the public interest. Whilst in the young past the problems were to define the term "doping" exactly, today's problem is to prevent adolescents and children of doping. This shall be achieved by carrying out controls and serious sanctions for doping violations. Scientific research proved that doping usage can be avoided by broad specific prevention measures. In general, the earlier the athletes dope the higher the risk to become addicted later on in life to other legal or illegal drugs. The aim of this review is to analyse the prevalence of doping regarding youth-, competitive-, high performance and recreational sports and to examine further aspects of doping abuse, risks of addiction, the legal situation, current strategies in the fight against doping and to enhance chances of further doping prevention opportunities. By means of this data an all-embracing view should be given over the current situation, problems and prospects in German-speaking countries.

  6. Source regions of ammonium nitrate, ammonium sulfate, and natural silicates in the surface aerosols of Moscow oblast

    NASA Astrophysics Data System (ADS)

    Shukurov, K. A.; Shukurova, L. M.

    2017-05-01

    Maps of potential source regions of ammonium nitrate, ammonium sulfate, and natural silicates in the surface aerosols in 2002-2005, 2010, and 2012-2015 are obtained based on measurements of the optical depth of 1-2 μm surface aerosol samples and the analysis results of backward trajectories of air parcels at the Zvenigorod scientific station (ZSS) of the A. M. Obukhov Institute of Atmospheric Physics, Russian Academy of Sciences. The most likely potential source regions of ammonium nitrate are in western and central Europe; those of ammonium sulfate are in southern Ukraine, southern Russia, and northwest Kazakhstan; and those of natural silicates are in the Caspian and Aral regions. The maps of potential source regions are consistent with EMEP fields of surface concentrations of nitrates and sulfates and natural aerosol concentration in PM2.5.

  7. 76 FR 39847 - Solid Fertilizer Grade Ammonium Nitrate From the Russian Federation; Final Results of the...

    Federal Register 2010, 2011, 2012, 2013, 2014

    2011-07-07

    ... International Trade Administration Solid Fertilizer Grade Ammonium Nitrate From the Russian Federation; Final... investigation on solid fertilizer grade ammonium nitrate (``ammonium nitrate'') from the Russian Federation...: Solid Fertilizer Grade Ammonium Nitrate From the Russian Federation, 64 FR 45236 (August 19, 1999)....

  8. The Anti-Doping Movement.

    PubMed

    Willick, Stuart E; Miller, Geoffrey D; Eichner, Daniel

    2016-03-01

    Historical reports of doping in sports date as far back as the ancient Greek Olympic Games. The anti-doping community considers doping in sports to be cheating and a violation of the spirit of sport. During the past century, there has been an increasing awareness of the extent of doping in sports and the health risks of doping. In response, the anti-doping movement has endeavored to educate athletes and others about the health risks of doping and promote a level playing field. Doping control is now undertaken in most countries around the world and at most elite sports competitions. As athletes have found new ways to dope, however, the anti-doping community has endeavored to strengthen its educational and deterrence efforts. It is incumbent upon sports medicine professionals to understand the health risks of doping and all doping control processes.

  9. Polarization induced doped transistor

    SciTech Connect

    Xing, Huili; Jena, Debdeep; Nomoto, Kazuki; Song, Bo; Zhu, Mingda; Hu, Zongyang

    2016-06-07

    A nitride-based field effect transistor (FET) comprises a compositionally graded and polarization induced doped p-layer underlying at least one gate contact and a compositionally graded and doped n-channel underlying a source contact. The n-channel is converted from the p-layer to the n-channel by ion implantation, a buffer underlies the doped p-layer and the n-channel, and a drain underlies the buffer.

  10. Thermal, dielectric studies on pure and amino acid ( L-glutamic acid, L-histidine, L-valine) doped KDP single crystals

    NASA Astrophysics Data System (ADS)

    Kumaresan, P.; Moorthy Babu, S.; Anbarasan, P. M.

    2008-05-01

    Amino acids ( L-glutamic acid, L-histidine, L-valine) doped potassium dihydrogen phospate crystals are grown by solution growth technique. Slow cooling as well as slow evaporation methods were employed to grow these crystals. The concentration of dopants in the mother solution was varied from 0.1 mol% to 10 mol%. The solubility data for all dopants concentration were determined. There is variation in pH value and hence, there is habit modification of the grown crystals were characterized with UV-VIS, FT-IR studies, SHG trace elements and dielectric studies reveal slight distortion of lattice parameter for the heavily doped KDP crystals. UV-Visible spectra confirm the improvement in the transparency of these crystals on doping metal ions. FT-IR spectra reveal strong absorption band between 1400 and 1600 cm -1 for metal ion doped crystals. TGA-DTA studies reveal good thermal stability. The dopants increase the hardness value of the material and it also depends on the concentration of the dopants. Amino acids doping improved the NLO properties. The detailed results on the spectral parameters, habit modifications and constant values will be presented.

  11. Early metabolic effects and mechanism of ammonium transport in yeast

    SciTech Connect

    Pena, A.; Pardo, J.P.; Ramirez, J.

    1987-03-01

    Studies were performed to define the effects and mechanism of NH+4 transport in yeast. The following results were obtained. Glucose was a better facilitator than ethanol-H/sub 2/O/sub 2/ for ammonium transport; low concentrations of uncouplers or respiratory inhibitors could inhibit the transport with ethanol as the substrate. With glucose, respiratory inhibitors showed only small inhibitory effects, and only high concentrations of azide or trifluoromethoxy carbonylcyanide phenylhydrazone could inhibit ammonium transport. Ammonium in the free state could be concentrated approximately 200-fold by the cells. Also, the addition of ammonium produced stimulation of both respiration and fermentation; an increased rate of H+ extrusion and an alkalinization of the interior of the cell; a decrease of the membrane potential, as monitored by fluorescent cyanine; an immediate decrease of the levels of ATP and an increase of ADP, which may account for the stimulation of both fermentation and respiration; and an increase of the levels of inorganic phosphate. Ammonium was found to inhibit 86Rb+ transport much less than K+. Also, while K+ produced a competitive type of inhibition, that produced by NH4+ was of the noncompetitive type. From the distribution ratio of ammonium and the pH gradient, an electrochemical potential gradient of around -180 mV was calculated. The results indicate that ammonium is transported in yeast by a mechanism similar to that of monovalent alkaline cations, driven by a membrane potential. The immediate metabolic effects of this cation seem to be due to an increased (H+)ATPase, to which its transport is coupled. However, the carriers seem to be different. The transport system studied in this work was that of low affinity.

  12. Polyvinyl alcohol doped with nickel chloride hexahydrate as conductor polymer

    NASA Astrophysics Data System (ADS)

    Ruiz-Limon, B.; Olivares-Perez, Arturo; Silva-Andrade, F.; Fuentes-Tapia, I.; Ibarra-Torres, Juan Carlos

    2004-06-01

    Polyvinyl alcohol is a viscous solution, with blue clear appearance, not has odor, when is deposited, as a film dry the appearance is clear transparent and has high flexibility. This polymer no has double link and don not has p orbital that permit the conductivity. However, can be doped with salts as ammonium dichromate and nickel chloride hexahydrate NiCl26H2O constructing a good conductor polymer with a resistivity around 300 ohms cm. Conserving the high flexibility opened new possibilities and applications.

  13. Nitrogen-doped carbon dots as multifunctional fluorescent probes

    NASA Astrophysics Data System (ADS)

    Du, Fengyi; Jin, Xin; Chen, Junhui; Hua, Ye; Cao, Mulan; Zhang, Lirong; Li, Jianan; Zhang, Li; Jin, Jie; Wu, Chaoyang; Gong, Aihua; Xu, Wenrong; Shao, Qixiang; Zhang, Miaomiao

    2014-11-01

    Highly fluorescent nitrogen-doped carbon dots (NCDs) were prepared through the hydrothermal carbonization of citric acid and ammonium acetate. The resulting NCDs were quasi-spherical particles with an average diameter of approximately 2.1 nm. They exhibited excellent photoluminescent properties and had favorable solubility in water. Furthermore, the NCDs had low cytotoxicity and were readily integrated with cytoplasm. This makes them particularly suitable for multicolor bioimaging. Most importantly, NCDs internalized by cancer cells can be detected at four channels simultaneously with flow cytometry, which further demonstrates that the NCDs can be used as multifunctional fluorescent probes for biomedical applications.

  14. Clinoptilolite: a possible support material for nitrifying biofilms for effective control of ammonium effluent quality?

    PubMed

    Inan, H; Beler Baykal, B

    2005-01-01

    Ammonium selective natural zeolite clinoptilolite is suggested as a possible support material for nitrifying biofilms to help improve effluent ammonium quality through its high capacity of ammonium removal in the process of ion exchange. This will especially be helpful in cases where the biofilter receives peak or variable loads routinely or occasionally. At the time of peak loads or shocks of ammonium, ion exchange capacity will provide a buffer for the effluent ammonium quality. Data to support this suggestion is presented.

  15. Enhanced visible light photocatalytic degradation of Rhodamine B over phosphorus doped graphitic carbon nitride

    NASA Astrophysics Data System (ADS)

    Chai, Bo; Yan, Juntao; Wang, Chunlei; Ren, Zhandong; Zhu, Yuchan

    2017-01-01

    Phosphorus doped graphitic carbon nitride (g-C3N4) was easily synthesized using ammonium hexafluorophosphate (NH4PF6) as phosphorus source, and ammonium thiocyanate (NH4SCN) as g-C3N4 precursor, through a direct thermal co-polycondensation procedure. The obtained phosphorus doped g-C3N4 was characterized by X-ray diffraction (XRD), field emission scanning electron microscopy (FESEM), high-resolution transmission electron microscopy (HRTEM), X-ray photoelectron spectroscopy (XPS), Fourier transform infrared spectra (FTIR), UV-vis diffuse reflectance absorption spectra (UV-DRS), photoelectrochemical measurement and photoluminescence spectra (PL). The photocatalytic activities of phosphorus doped g-C3N4 samples were evaluated by degradation of Rhodamine B (RhB) solution under visible light irradiation. The results showed that the phosphorus doped g-C3N4 had a superior photocatalytic activity than that of pristine g-C3N4, attributing to the phosphorus atoms substituting carbon atoms of g-C3N4 frameworks to result in light harvesting enhancement and delocalized π-conjugated system of this copolymer, beneficial for the increase of photocatalytic performance. The photoelectrochemical measurements also verified that the charge carrier separation efficiency was promoted by phosphorus doping g-C3N4. Moreover, the tests of radical scavengers demonstrated that the holes (h+) and superoxide radicals (rad O2-) were the main active species for the degradation of RhB.

  16. Hydrogenation of benzylideneacetone catalyzed by OsHCl(CO)(PR{sub 3}){sub 2} (PR{sub 3} = P-i-Pr{sub 3}, PMe-t-Bu{sub 2}): New roles of dihydrogen complexes in homogeneous catalytic hydrogenation

    SciTech Connect

    Esteruelas, M.A.; Oro, L.A.; Valero, C.

    1992-10-01

    The five-coordinated hydrido carbonyl complexes OsHCl(CO)(PR{sub 3}){sub 2} (PR{sub 3} = P-i-Pr{sub 3} (1), PMe-t-Bu{sub 2} (12)) catalyze selective hydrogenation of benzylideneacetone to 4-phenylbutan-2-one. In 2-propanol solutions, selectives close to 100% are achieved. In the presence of 1, the reaction is first-order with respect to the concentrations of catalyst and substrate and independent of the hydrogen pressure. For the reaction catalyzed by 12, the kinetic experimental data are in accordance with an expression of the form-d[benzylideneacetone]/dt = k[12]{sup 2}[benzylideneacetone](P(H{sub 2})). The mechanisms deduced for these reactions, on the basis of the rate laws and spectroscopic observations, illustrate new roles of the dihydrogen complexes in homogenous catalytic hydrogeneation. 1, initially nonactive, is activated as a result of the formation of trans(hydride, dihydrogen)-OsHCl({eta}{sup 2}) (CO)(P-i-Pr{sub 3}){sub 2} (6), which isomerizes to cis(hydride,dihydrogen)-OsHCl({eta}{sup 2}-H{sub 2})(CO)(P-i-Pr{sub 3}){sub 2} (14) and subsequently dissociates molecular hydrogen. The reaction catalyzed by 12 is proposed to go by the intermediate trans-[OsCl(CO)(PMe-t-Bu{sub 2}){sub 2}]{sub 2}H{sub 4} (18), which could be formed by reaction of 12 with cis(hydride,dihydrogen)-OsHCl({eta}{sup 2}-H{sub 2})(CO)(PMe-t-Bu{sub 2}){sub 2} (20). According to the theoretical works of Burdett and Pourian, this binuclear intermediate could contain a planar 4-gon of cyclically bound hydrogen atoms. 38 refs., 7 figs., 2 tabs.

  17. Ionic liquid assisted microwave synthesis route towards color-tunable luminescence of lanthanide- doped BiPO4

    SciTech Connect

    Cybinska, Joanna; Lorbeer, Chantal; Mudring, Anja -Verena

    2015-07-08

    Ln3+-doped (Ln=Sm, Eu, Tb, Dy) nanoparticles of BiPO4 with a particle size below 10 nm were synthesized in a straightforward manner from the appropriate mixture of the respective metal acetates and the task-specific ionic liquids choline or butylammonium dihydrogen-phosphate by conversion in a laboratory microwave (120 °C, 10 min). The ionic liquid acts not only as a solvent and microwave susceptor, but also as the reaction partner and nanoparticle stabilizer. The materials were thoroughly characterized not only with respect to their optical properties but also by PXRD, FT-IR, TEM techniques. Furthermore, depending on the lanthanide, the nanomaterial shows intense luminescence of different colors such as: orange (Sm3+), red (Eu3+), green (Tb3+) or even white (Dy3+).

  18. Ionic liquid assisted microwave synthesis route towards color-tunable luminescence of lanthanide- doped BiPO4

    DOE PAGES

    Cybinska, Joanna; Lorbeer, Chantal; Mudring, Anja -Verena

    2015-07-08

    Ln3+-doped (Ln=Sm, Eu, Tb, Dy) nanoparticles of BiPO4 with a particle size below 10 nm were synthesized in a straightforward manner from the appropriate mixture of the respective metal acetates and the task-specific ionic liquids choline or butylammonium dihydrogen-phosphate by conversion in a laboratory microwave (120 °C, 10 min). The ionic liquid acts not only as a solvent and microwave susceptor, but also as the reaction partner and nanoparticle stabilizer. The materials were thoroughly characterized not only with respect to their optical properties but also by PXRD, FT-IR, TEM techniques. Furthermore, depending on the lanthanide, the nanomaterial shows intense luminescencemore » of different colors such as: orange (Sm3+), red (Eu3+), green (Tb3+) or even white (Dy3+).« less

  19. Ammonium Removal from Synthetic Stormwater using Clinoptilolite and Hydroaluminosilicate Columns.

    PubMed

    Khorsha, Golnaz; Davis, Allen P

    2017-06-01

    Ammonium can enter stormwater control measures (SCMs) with the influent, but is also the intermediate product between organic nitrogen and nitrate, and it is important to retain and treat ammonium within the SCM. In this study the use of aluminosilicate aggregates (CA) and clinoptilolite zeolite (ZT) was investigated under SCM (column) conditions. ZT was found to have the highest capacity (0.45 mg -N/g ZT vis-à-vis 0.33 mg -N/g CA) at 2.5 mg NH4-N/L. The presence of Ca2+ and K+ was found to reduce the capacity of the media significantly. Increasing the contact time from 10 minutes to 47 minutes enhanced the removal efficiency of the system by 70% for CA and 23% for ZT, respectively. Finally, changes in the influent ammonium concentration resulted in successful removal during concentration increases, but desorption of ammonium for sudden concentration reduction. The use of ZT in media-based SCMs is recommended for ammonium removal.

  20. A maritime pine antimicrobial peptide involved in ammonium nutrition.

    PubMed

    Canales, Javier; Avila, Concepción; Cánovas, Francisco M

    2011-09-01

    A large family of small cysteine-rich antimicrobial peptides (AMPs) is involved in the innate defence of plants against pathogens. Recently, it has been shown that AMPs may also play important roles in plant growth and development. In previous work, we have identified a gene of the AMP β-barrelin family that was differentially regulated in the roots of maritime pine (Pinus pinaster Ait.) in response to changes in ammonium nutrition. Here, we present the molecular characterization of two AMP genes, PpAMP1 and PpAMP2, showing different molecular structure and physicochemical properties. PpAMP1 and PpAMP2 displayed different expression patterns in maritime pine seedlings and adult trees. Furthermore, our expression analyses indicate that PpAMP1 is the major form of AMP in the tree, and its relative abundance is regulated by ammonium availability. In contrast, PpAMP2 is expressed at much lower levels and it is not regulated by ammonium. To gain new insights into the function of PpAMP1, we over-expressed the recombinant protein in Escherichia coli and demonstrated that PpAMP1 strongly inhibited yeast growth, indicating that it exhibits antimicrobial activity. We have also found that PpAMP1 alters ammonium uptake, suggesting that it is involved in the regulation of ammonium ion flux into pine roots. © 2011 Blackwell Publishing Ltd.

  1. Electrospray ionization tandem mass spectrometry of ammonium cationized polyethers.

    PubMed

    Nasioudis, Andreas; Heeren, Ron M A; van Doormalen, Irene; de Wijs-Rot, Nicolette; van den Brink, Oscar F

    2011-05-01

    Quaternary ammonium salts (Quats) and amines are known to facilitate the MS analysis of high molar mass polyethers by forming low charge state adduct ions. The formation, stability, and behavior upon collision-induced dissociation (CID) of adduct ions of polyethers with a variety of Quats and amines were studied by electrospray ionization quadrupole time-of-flight, quadrupole ion trap, and linear ion trap tandem mass spectrometry (MS/MS). The linear ion trap instrument was part of an Orbitrap hybrid mass spectrometer that allowed accurate mass MS/MS measurements. The Quats and amines studied were of different degree of substitution, structure, and size. The stability of the adduct ions was related to the structure of the cation, especially the amine's degree of substitution. CID of singly/doubly charged primary and tertiary ammonium cationized polymers resulted in the neutral loss of the amine followed by fragmentation of the protonated product ions. The latter reveals information about the monomer unit, polymer sequence, and endgroup structure. In addition, the detection of product ions retaining the ammonium ion was observed. The predominant process in the CID of singly charged quaternary ammonium cationized polymers was cation detachment, whereas their doubly charged adduct ions provided the same information as the primary and tertiary ammonium cationized adduct ions. This study shows the potential of specific amines as tools for the structural elucidation of high molar mass polyethers.

  2. Electrospray Ionization Tandem Mass Spectrometry of Ammonium Cationized Polyethers

    NASA Astrophysics Data System (ADS)

    Nasioudis, Andreas; Heeren, Ron M. A.; van Doormalen, Irene; de Wijs-Rot, Nicolette; van den Brink, Oscar F.

    2011-05-01

    Quaternary ammonium salts (Quats) and amines are known to facilitate the MS analysis of high molar mass polyethers by forming low charge state adduct ions. The formation, stability, and behavior upon collision-induced dissociation (CID) of adduct ions of polyethers with a variety of Quats and amines were studied by electrospray ionization quadrupole time-of-flight, quadrupole ion trap, and linear ion trap tandem mass spectrometry (MS/MS). The linear ion trap instrument was part of an Orbitrap hybrid mass spectrometer that allowed accurate mass MS/MS measurements. The Quats and amines studied were of different degree of substitution, structure, and size. The stability of the adduct ions was related to the structure of the cation, especially the amine's degree of substitution. CID of singly/doubly charged primary and tertiary ammonium cationized polymers resulted in the neutral loss of the amine followed by fragmentation of the protonated product ions. The latter reveals information about the monomer unit, polymer sequence, and endgroup structure. In addition, the detection of product ions retaining the ammonium ion was observed. The predominant process in the CID of singly charged quaternary ammonium cationized polymers was cation detachment, whereas their doubly charged adduct ions provided the same information as the primary and tertiary ammonium cationized adduct ions. This study shows the potential of specific amines as tools for the structural elucidation of high molar mass polyethers.

  3. Loss of Fine Particle Ammonium from Denuded Nylon Filters

    SciTech Connect

    Yu, Xiao-Ying; Lee, Taehyoung; Ayres, Benjamin; Kreidenweis, Sonia M.; Malm, William C.; Collett, Jeffrey L.

    2006-08-01

    Ammonium is an important constituent of fine particulate mass in the atmosphere, but can be difficult to quantify due to possible sampling artifacts. Losses of semivolatile species such as NH4NO3 can be particularly problematic. In order to evaluate ammonium losses from aerosol particles collected on filters, a series of field experiments was conducted using denuded nylon and Teflon filters at Bondville, Illinois (February 2003), San Gorgonio, California (April 2003 and July 2004), Grand Canyon National Park, Arizona (May, 2003), Brigantine, New Jersey (November 2003), and Great Smoky Mountains National Park (NP), Tennessee (July–August 2004). Samples were collected over 24-hr periods. Losses from denuded nylon filters ranged from 10% (monthly average) in Bondville, Illinois to 28% in San Gorgonio, California in summer. Losses on individual sample days ranged from 1% to 65%. Losses tended to increase with increasing diurnal temperature and relative humidity changes and with the fraction of ambient total N(--III) (particulate NH4+ plus gaseous NH3) present as gaseous NH3. The amount of ammonium lost at most sites could be explained by the amount of NH4NO3 present in the sampled aerosol. Ammonium losses at Great Smoky Mountains NP, however, significantly exceeded the amount of NH4NO3 collected. Ammoniated organic salts are suggested as additional important contributors to observed ammonium loss at this location.

  4. Modeling of alkyl quaternary ammonium cations intercalated into montmorillonite lattice

    SciTech Connect

    Daoudi, El Mehdi; Boughaleb, Yahia; El Gaini, Layla; Meghea, Irina; Bakasse, Mina

    2013-05-15

    Highlights: ► The modification of montmorillonites by three surfactants increases the basal spacing. ► The model proposed show a bilayer conformation for the surfactant ODTMA. ► The DODMA and TOMA surfactants adopt a paraffin type arrangement. ► Behavior of surfactants in interlayer space was confirmed by TGA and ATR analysis. - Abstract: The objective of this work was to study the conformation of the quaternary ammonium cations viz., octadecyl trimethyl ammonium (ODTMA), dioctadecyl dimethyl ammonium (DMDOA) and trioctadecyl methyl ammonium (TOMA) intercalated within montmorillonite. The modified montmorillonite was characterized by X-ray diffraction in small angle (SAXS), thermal analysis (TGA) and infrared spectroscopy of attenuated total reflection (ATR). The modification of organophilic montmorillonites by the three surfactants ODTMA, DMDOA and TOMA increases the basal spacing from their respective intercalated distances of 1.9 nm, 2.6 nm and 3.4 nm respectively. The increase in the spacing due to the basic organic modification was confirmed by the results of thermal analysis (TGA) and infrared spectroscopy (ATR), and also supported by theoretical calculations of longitudinal and transversal chain sizes of these alkyl quaternary ammonium cations.

  5. Loss of fine particle ammonium from denuded nylon filters

    NASA Astrophysics Data System (ADS)

    Yu, Xiao-Ying; Lee, Taehyoung; Ayres, Benjamin; Kreidenweis, Sonia M.; Malm, William; Collett, Jeffrey L.

    Ammonium is an important constituent of fine particulate mass in the atmosphere, but can be difficult to quantify due to possible sampling artifacts. Losses of semivolatile species such as NH 4NO 3 can be particularly problematic. In order to evaluate ammonium losses from aerosol particles collected on filters, a series of field experiments was conducted using denuded nylon and Teflon filters at Bondville, IL (February 2003), San Gorgonio, CA (April 2003 and July 2004), Grand Canyon NP, AZ (May, 2003), Brigantine, NJ (November 2003), and Great Smoky Mountains National Park (NP), TN (July-August 2004). Samples were collected over 24 h periods. Losses from denuded nylon filters ranged from 10% (monthly average) in Bondville, IL to 28% in San Gorgonio, CA in summer. Losses on individual sample days ranged from 1% to 65%. Losses tended to increase with increasing diurnal temperature and relative humidity changes and with the fraction of ambient total N(-III) (particulate NH 4++gaseous NH 3) present as gaseous NH 3. The amount of ammonium lost at most sites could be explained by the amount of NH 4NO 3 present in the sampled aerosol. Ammonium losses at Great Smoky Mountains NP, however, significantly exceeded the amount of NH 4NO 3 collected. Ammoniated organic salts are suggested as additional important contributors to observed ammonium loss at this location.

  6. Climate impact of solid ammonium sulfate aerosols as ice nuclei

    NASA Astrophysics Data System (ADS)

    Zhou, C.; Penner, J.

    2016-12-01

    Laboratory experiments show that solid ammonium sulfate aerosols can act as heterogeneous ice nuclei particles (INPs) in the deposition mode. In this study we used the coupled IMPACT/CAM5 model to track the efflorescence and deliquescence of ammonium sulfate. Liquid pure ammonium sulfate particles effloresce when RHw is below 34% and dissolve when RHw is above 79%. About 1/3 of the total simulated sulfate aerosol mass is in the solid state. When 0.1% of these solid ammonium sulfate aerosols are assumed to be efficient ice nuclei, they act to reduce the bias in simulated ice particle number concentration in cirrus clouds by reducing ice particle number in cold cirrus clouds (T<205 K) and increasing ice particle number in warm cirrus clouds (T>215K). The increased ice particles in warm cirrus clouds lead to an increase in the IWP and a net global warming effect as large as 3 W/m2. The magnitude of the warming effect can vary if a different efficiency of solid ammonium sulfate aerosols acting as ice nuclei particles is assumed.

  7. Removing ammonium from water using modified corncob-biochar.

    PubMed

    Vu, Thi Mai; Trinh, Van Tuyen; Doan, Dinh Phuong; Van, Huu Tap; Nguyen, Tien Vinh; Vigneswaran, Saravanamuthu; Ngo, Huu Hao

    2017-02-01

    Ammonium pollution in groundwater and surface water is of major concern in many parts of the world due to the danger it poses to the environment and people's health. This study focuses on the development of a low cost adsorbent, specifically a modified biochar prepared from corncob. Evaluated here is the efficiency of this new material for removing ammonium from synthetic water (ammonium concentration from 10 to 100mg/L). The characteristics of the modified biochar were determined by Brunauer-Emmett-Teller (BET) test, Fourier transform infrared spectroscopy (FTIR) and Scanning electron microscopy (SEM). It was found that ammonium adsorption on modified biochar strongly depended on pH. Adsorption kinetics of NH4(+)-N using modified biochar followed the pseudo-second order kinetic model. Both Langmuir and Sips adsorption isotherm models could simulate well the adsorption behavior of ammonium on modificated biochar. The highest adsorption capacity of 22.6mg NH4(+)-N/g modified biochar was obtained when the biochar was modified by soaking it in HNO3 6M and NaOH 0.3M for 8h and 24h, respectively. The high adsorption capacity of the modified biochar suggested that it is a promising adsorbent for NH4(+)-N remediation from water.

  8. Fractionation of bamboo hemicelluloses by graded saturated ammonium sulphate.

    PubMed

    Guan, Ying; Zhang, Bing; Qi, Xian-Ming; Peng, Feng; Yao, Chun-Li; Sun, Run-Cang

    2015-09-20

    The hemicelluloses were isolated with 10% KOH at 25°C from dewaxed and delignified bamboo powder. The alkali-soluble hemicelluloses from Sinocalamus affinis were fractionated by ammonium sulphate precipitation method. The bamboo alkali-soluble hemicelluloses yielded seven hemicellulosic fractions obtained at 0, 5, 15, 25, 40, 55, and 70% saturation with ammonium sulphate. It was found that the more branched hemicelluloses were precipitated at higher ammonium sulphate concentrations (55 and 70%), the more linear hemicelluloses were precipitated at lower ammonium sulphate concentrations (0, 5, 15, 25, and 40%). The molecular weights of hemicellulosic fractions become lower from 35,270 (H0) to 18,680 (H70)gmol(-1) with the increasing concentrations of saturated ammonium sulphate from 0 to 70%. Based on the FT-IR, (1)H, (13)C and 2D HSQC NMR studies, the alkali-soluble hemicelluloses were 4-O-methyl-glucuronoarabinoxylans composed of the (1→4)-linked β-d-xylopyranosyl backbone with branches at O-3 of α-L-arabinofuranosyl or at O-2 of 4-O-methyl-α-d-glucuronic acid.

  9. Simultaneous removal of ammonium and suspended solids in multipurpose filters.

    PubMed

    Alkas, Deniz; Baykal, Bilsen Beler; Kinaci, Cumali

    2012-06-01

    A multipurpose filter in which sand and clinoptilolite are used together as filter material is suggested for the simultaneous removal of suspended solids and ammonium in one single unit. The capacity of the clinoptilolite used was determined as 10.4 mg/g for 20 mg/l initial ammonium concentration. In addition, a packed column ion exchanger with clinoptilolite and a classical sand filter were also investigated for comparison. Ammonium and suspended solids removal rates were observed and compared for all columns. The results of the column analysis have revealed that the ammonium removal rate, which was only 20% in the sand column, was increased to 100% by replacing 50% of the sand with clinoptilolite; similarly, the suspended solids removal, which was only 17% in the clinoptilolite column, was increased to 75% by replacing 50% of the clinoptilolite with sand. As such, when ion exchange and filtration processes were carried out in a multipurpose column, high removals for both parameters could be obtained simultaneously. Multipurpose columns could be an alternative both for the upgrading of existing treatment plants or for new plants for simultaneous removal of ammonium and suspended solids, giving considerable savings in terms of land requirements.

  10. Effects of bisphenol A on ammonium assimilation in soybean roots.

    PubMed

    Sun, Hai; Wang, Li Hong; Zhou, Qing; Huang, Xiao Hua

    2013-12-01

    Bisphenol A (BPA), which is ubiquitous in the environment, is an example of an endocrine-disrupting compound (EDC). Ammonium assimilation has an important function in plant growth and development. However, insufficient information on the potential effect of BPA on ammonium assimilation in plants is available. In this study, the effects of BPA on ammonium assimilation in roots of soybean seedlings were investigated. During the stress period, 1.5 mg L(-1) of BPA improved glutamine synthetase (GS)/glutamate synthase (GOGAT) cycle and glutamate dehydrogenase (GDH) pathway in ammonium assimilation. The amino acid and the soluble protein contents increased in the soybeans. At 17.2 and 50.0 mg L(-1) of BPA, the GS/GOGAT cycle was inhibited and the GDH pathway was promoted. The amino acid content increased and the soluble protein content decreased. During the recovery period, the GS/GOGAT cycle and the GDH pathway recovered at 1.5 and 17.2 mg L(-1) of BPA but not at 50.0 mg L(-1) of BPA. The amino acid content continuously increased and the soluble protein content decreased compared with those in the control treatment. In summary, BPA treatment could affect the contents of soluble protein and amino acid in the soybean roots by regulating ammonium assimilation.

  11. Anomalous neutron Compton scattering cross sections in ammonium hexachlorometallates

    NASA Astrophysics Data System (ADS)

    Krzystyniak, M.; Chatzidimitriou-Dreismann, C. A.; Lerch, M.; Lalowicz, Z. T.; Szymocha, A.

    2007-03-01

    The authors have performed neutron Compton scattering measurements on ammonium hexachloropalladate (NH4)2PdCl6 and ammonium hexachlorotellurate (NH4)2TeCl6. Both substances belong to the family of ammonium metallates. The aim of the experiment was to investigate the possible role of electronic environment of a proton on the anomaly of the neutron scattering intensity. The quantity of interest that was subject to experimental test was the reduction factor of the neutron scattering intensities. In both samples, the reduction factor was found to be smaller than unity, thus indicating the anomalous neutron Compton scattering from protons. Interestingly, the anomaly decreases with decreasing scattering angle and disappears at the lowest scattering angle (longest scattering time). The dependence of the amount of the anomaly on the scattering angle (scattering time) is the same in both substances (within experimental error). Also, the measured widths of proton momentum distributions are equal in both metallates. This is consistent with the fact that the attosecond proton dynamics of ammonium cations is fairly well decoupled from the dynamics of the sublattice of the octahedral anions PdCl62- and TeCl62-, respectively. The hypothesis is put forward that proton-electron decoherence processes are responsible for the considered effect. Decoherence processes may have to do rather with the direct electronic environment of ammonium protons and not with the electronic structure of the metal-chlorine bond.

  12. Preparation and Characterization of Rare Earth Doped Fluoride Nanoparticles

    PubMed Central

    Jacobsohn, Luiz G.; Kucera, Courtney J.; James, Tiffany L.; Sprinkle, Kevin B.; DiMaio, Jeffrey R.; Kokuoz, Baris; Yazgan-Kukouz, Basak; DeVol, Timothy A.; Ballato, John

    2010-01-01

    This paper reviews the synthesis, structure and applications of metal fluoride nanoparticles, with particular focus on rare earth (RE) doped fluoride nanoparticles obtained by our research group. Nanoparticles were produced by precipitation methods using the ligand ammonium di-n-octadecyldithiophosphate (ADDP) that allows the growth of shells around a core particle while simultaneously avoiding particle aggregation. Nanoparticles were characterized on their structure, morphology, and luminescent properties. We discuss the synthesis, properties, and application of heavy metal fluorides; specifically LaF3:RE and PbF2, and group IIA fluorides. Particular attention is given to the synthesis of core/shell nanoparticles, including selectively RE-doped LaF3/LaF3, and CaF2/CaF2 core/(multi-)shell nanoparticles, and the CaF2-LaF3 system.

  13. Racemization of the Succinimide Intermediate Formed in Proteins and Peptides: A Computational Study of the Mechanism Catalyzed by Dihydrogen Phosphate Ion.

    PubMed

    Takahashi, Ohgi; Kirikoshi, Ryota; Manabe, Noriyoshi

    2016-10-10

    In proteins and peptides, d-aspartic acid (d-Asp) and d-β-Asp residues can be spontaneously formed via racemization of the succinimide intermediate formed from l-Asp and l-asparagine (l-Asn) residues. These biologically uncommon amino acid residues are known to have relevance to aging and pathologies. Although nonenzymatic, the succinimide racemization will not occur without a catalyst at room or biological temperature. In the present study, we computationally investigated the mechanism of succinimide racemization catalyzed by dihydrogen phosphate ion, H₂PO₄(-), by B3LYP/6-31+G(d,p) density functional theory calculations, using a model compound in which an aminosuccinyl (Asu) residue is capped with acetyl (Ace) and NCH₃ (Nme) groups on the N- and C-termini, respectively (Ace-Asu-Nme). It was shown that an H₂PO₄(-) ion can catalyze the enolization of the Hα-Cα-C=O portion of the Asu residue by acting as a proton-transfer mediator. The resulting complex between the enol form and H₂PO₄(-) corresponds to a very flat intermediate region on the potential energy surface lying between the initial reactant complex and its mirror-image geometry. The calculated activation barrier (18.8 kcal·mol(-1) after corrections for the zero-point energy and the Gibbs energy of hydration) for the enolization was consistent with the experimental activation energies of Asp racemization.

  14. Crystal structure and vibrational spectra of tetrasodium dimagnesium dihydrogen diphosphate octahydrate Na 4Mg 2(H 2P 2O 7) 4·8H 2O

    NASA Astrophysics Data System (ADS)

    Harcharras, M.; Ennaciri, A.; Assaaoudi, H.; Mattei, G.; D'Orazio, V.; Moliterni, A. G. G.; Capitelli, F.

    2003-04-01

    A tetrasodium dimagnesium dihydrogen diphosphate octahydrate Na 4Mg 2(H 2P 2O 7) 4·8H 2O was synthesized. It crystallizes in the monoclinic system, space group P2 1/ m (no. 11), Z=4, and its unit-cell parameters are: a=8.0445(3) Å, b=11.5244(5) Å, c=9.0825(4) Å, β=113.1401(2)°, V=774.28(6) Å 3. The structure was determined by single-crystal X-ray diffractometry and refined to a R index of 0.0294 (w R=0.0727) for 1878 independent reflections with I>2 σ( I). The framework is made by the alternance of layers of MgO 6/NaO 6 octahedra and double tetrahedra PO 4 along b-axis. Such layers are characterized by the presence of strong hydrogen bonds. (H 2P 2O 7) 2- anions exhibit bent eclipsed conformation. Besides, the crystal was analyzed by FT-IR and micro-Raman vibrational spectroscopy. No coincidences of the majority of the Raman and infrared spectra bands of Na 4Mg 2(H 2P 2O 7) 4·8H 2O confirms a centrosymmetric structure of this material. The vibrational spectra confirm the bent POP configuration in this compound.

  15. Synthesis and characterization of β-napthalene sulphonic acid doped poly(o-anisidine)

    NASA Astrophysics Data System (ADS)

    Sangamithirai, D.; Narayanan, V.; Stephen, A.

    2014-04-01

    Poly(o-anisidine) doped with β-napthalene sulphonic acid (β-NSA) was synthesized using ammonium persulphate as an oxidizing agent. The polymer was characterized by using FTIR, XRD and conductivity measurements. The FTIR spectra reveal the presence of functional groups that account for the formation of polymer. The structure was characterized by XRD. The conductivity of the poly(o-anisidine) salt was found to be 2.25 × 10-6 S/m.

  16. Aero dopes and varnishes

    NASA Technical Reports Server (NTRS)

    Britton, H T S

    1927-01-01

    Before proceeding to discuss the preparation of dope solutions, it will be necessary to consider some of the essential properties which should be possessed of a dope film, deposited in and on the surface of an aero fabric. The first is that it should tighten the material and second it should withstand weathering.

  17. [Doping and sports].

    PubMed

    Lippi, G; Guidi, G

    1999-09-01

    Doping is widely known as the use of banned substances and practices by athletes in an attempt to improve sporting performances. The term doping likely derives from "dope", an ancient expression referred to a primitive alcoholic drink that was used as a stimulant in South African ceremonial dances; gradually, the term was extended and finally adopted his current significance. There are at least two essential reasons to support the fight against doping: the potential harmful effects on athletes and the depth corruption of the fair competition. An exhaustive list of banned substances and methods has been drawn by the International Olympic Committee and further accepted by other International Sport Authorities and Federations. This list, regularly updated, is basically divided into doping substances (stimulants, narcotic analgesics, anabolic agents, diuretics, peptide and glycoprotein hormones and analogues), doping methods (blood doping, pharmacological, chemical and physical manipulation) and drugs subjected to certain restrictions (alcohol, marijuana, local anesthetics, corticosteroids and beta-blockers). Although there might be some medical conditions, which could legitimate the need of these substances or methods, there is no place for their use in sport. Thus, an athlete's consume of any of these substances or methods will result in disqualification. Aim of the present review is to provide a synthetic description of both the desirable effects and the potentially harmful consequences of the use of some of the major doping substances and methods.

  18. Cetyltrimethyl ammonium bromide assisted hydrothermal growth of hematite hollow cubes

    SciTech Connect

    Wang, Wei-Wei; Yao, Jia-Liang

    2010-11-15

    Hematite hollow cubes have been prepared by forced hydrolysis of ferric chloride solutions under hydrothermal conditions. The effects of reaction time, reaction temperature and cetyltrimethyl ammonium bromide on the transformation process from akageneite to hematite were investigated in detail. The products were characterized by X-ray powder diffraction, scanning electron microscopy and transmission electron microscopy. It is found that cetyltrimethyl ammonium bromide was a critical factor influencing the phase transformation process of akageneite and the final morphology of the as-prepared products. With cetyltrimethyl ammonium bromide, hematite hollow cubes and porous spheres were obtained. Otherwise only dense cubes were observed even prolonging reaction time or increasing reaction temperature. The mechanism was proposed.

  19. Exposure to common quaternary ammonium disinfectants decreases fertility in mice

    PubMed Central

    Melin, Vanessa E.; Potineni, Haritha; Hunt, Patricia; Griswold, Jodi; Siems, Bill; Werre, Stephen R.; Hrubec, Terry C.

    2014-01-01

    Quaternary ammonium compounds (QACs) are antimicrobial disinfectants commonly used in commercial and household settings. Extensive use of QACs results in ubiquitous human exposure, yet reproductive toxicity has not been evaluated. Decreased reproductive performance in laboratory mice coincided with the introduction of a disinfectant containing both alkyl dimethyl benzyl ammonium chloride (ADBAC) and didecyl dimethyl ammonium chloride (DDAC). QACs were detected in caging material over a period of several months following cessation of disinfectant use. Breeding pairs exposed for six months to a QAC disinfectant exhibited decreases in fertility and fecundity: increased time to first litter, longer pregnancy intervals, fewer pups per litter and fewer pregnancies. Significant morbidity in near term dams was also observed. In summary, exposure to a common QAC disinfectant mixture significantly impaired reproductive health in mice. This study illustrates the importance of assessing mixture toxicity of commonly used products whose components have only been evaluated individually. PMID:25483128

  20. Effect of temperature on ammonium removal in Scenedesmus sp.

    PubMed

    Ruiz-Martínez, A; Serralta, J; Seco, A; Ferrer, J

    2015-09-01

    The effect of temperature on microalgal ammonium uptake was investigated by carrying out four batch experiments in which a mixed culture of microalgae, composed mainly of Scenedesmus sp., was cultivated under different temperatures within the usual temperature working range in Mediterranean climate (15-34 °C). Ammonium removal rates increased with temperature up to 26 °C and stabilized thereafter. Ratkowsky and Cardinal temperatures models successfully reproduced the experimental data. Optimum (31.3 °C), minimum (8.8 °C) and maximum (46.1 °C) temperatures for ammonium removal by Scenedesmus sp. under the studied conditions were obtained as model parameters. These temperature-related parameters constitute very useful information for designing and operating wastewater treatment systems using these microalgae.

  1. Study on mechanism of isomerization between ammonium thiocyanate and thiourea

    NASA Astrophysics Data System (ADS)

    Zhang, Chao-Zhi; Niu, Meng-Xiao

    2016-12-01

    Application of ammonium thiocyanate that can be separated from wastewater in coking plant is limited. It may isomerize to thiourea which has widely applied in industry. However, the isomerization yield is low. Moreover, the isomerization temperature is more than 145 °C. In this paper, the isomerization was investigated. The mechanism of the isomerization was supposed based on quantum chemistry calculations. Ammonia was employed as a catalyst to lower isomerization temperature and improved the yield of thiourea in the isomerization reaction. Results of quantum chemical calculation and experiments support the supposed mechanism. The mechanism can be applied in production of thiourea from isomerization of ammonium thiocyanate. The paper suggests a useful way of resourcizing ammonium thiocyanate in wastewater.

  2. Exposure to common quaternary ammonium disinfectants decreases fertility in mice.

    PubMed

    Melin, Vanessa E; Potineni, Haritha; Hunt, Patricia; Griswold, Jodi; Siems, Bill; Werre, Stephen R; Hrubec, Terry C

    2014-12-01

    Quaternary ammonium compounds (QACs) are antimicrobial disinfectants commonly used in commercial and household settings. Extensive use of QACs results in ubiquitous human exposure, yet reproductive toxicity has not been evaluated. Decreased reproductive performance in laboratory mice coincided with the introduction of a disinfectant containing both alkyl dimethyl benzyl ammonium chloride (ADBAC) and didecyl dimethyl ammonium chloride (DDAC). QACs were detected in caging material over a period of several months following cessation of disinfectant use. Breeding pairs exposed for six months to a QAC disinfectant exhibited decreases in fertility and fecundity: increased time to first litter, longer pregnancy intervals, fewer pups per litter and fewer pregnancies. Significant morbidity in near term dams was also observed. In summary, exposure to a common QAC disinfectant mixture significantly impaired reproductive health in mice. This study illustrates the importance of assessing mixture toxicity of commonly used products whose components have only been evaluated individually. Copyright © 2014 Elsevier Inc. All rights reserved.

  3. Ammonium as a sustainable proton shuttle in bioelectrochemical systems.

    PubMed

    Cord-Ruwisch, Ralf; Law, Yingyu; Cheng, Ka Yu

    2011-10-01

    This work examines a pH control method using ammonium (NH(4)(+)) as a sustainable proton shuttle in a CEM-equipped BES. Current generation was sustained by adding NH(3) or ammonium hydroxide (NH(4)OH) to the anolyte, controlling its pH at 7. Ammonium ion migration maintained the catholyte pH at approximately 9.25. Such NH(4)(+)/NH(3) migration accounted for 90±10% of the ionic flux in the BES. Reintroducing the volatilized NH(3) from the cathode into the anolyte maintained a suitable anolyte pH for sustained microbial-driven current generation. Hence, NH(4)(+)/NH(3) acted as a proton shuttle that is not consumed in the process.

  4. Ammonium and sulfate ion release of histamine from lung fragments.

    PubMed

    Charles, J M; Menzel, D B

    1975-06-01

    In vitro studies with guinea pig lung fragments incubated with 10- to 200-mM concentrations of ammonium ion demonstrated the release of substanial quantities of histamine. Of the anions tested with ammonium ion, sulfate was the most potent, while nitrate and acetate ions were of intermediate potency and chloride was less potent. An osmotic effect is unlikely since equal concentrations of sodium chloride failed to release histamine. Isoproterenol, known to decrease anaphylactic histamine release, and acetycholine, known to increase histamine release, had no effect on the ammonium sulfate-mediated release of histamine. N-6 2'-O-Dibutyryladenosine 3',5' monophosphate (dibutyryl c-AMP) was also ineffective. These studies suggest that the inhalation irritation associated with certain sulfate and other salts, may be a function of their ability to release histamine in the presence of amonium ion.

  5. Handling of Ammonium Nitrate Mother-Liquid Radiochemical Production - 13089

    SciTech Connect

    Zherebtsov, Alexander; Dvoeglazov, Konstantine; Volk, Vladimir; Zagumenov, Vladimir; Zverev, Dmitriy; Tinin, Vasiliy; Kozyrev, Anatoly; Shamin, Dladimir; Tvilenev, Konstantin

    2013-07-01

    The aim of the work is to develop a basic technology of decomposition of ammonium nitrate stock solutions produced in radiochemical enterprises engaged in the reprocessing of irradiated nuclear fuel and fabrication of fresh fuel. It was necessary to work out how to conduct a one-step thermal decomposition of ammonium nitrate, select and test the catalysts for this process and to prepare proposals for recycling condensation. Necessary accessories were added to a laboratory equipment installation decomposition of ammonium nitrate. It is tested several types of reducing agents and two types of catalyst to neutralize the nitrogen oxides. It is conducted testing of modes of the process to produce condensation, suitable for use in the conversion of a new technological scheme of production. It is studied the structure of the catalysts before and after their use in a laboratory setting. It is tested the selected catalyst in the optimal range for 48 hours of continuous operation. (authors)

  6. Doped graphene supercapacitors

    NASA Astrophysics Data System (ADS)

    Ashok Kumar, Nanjundan; Baek, Jong-Beom

    2015-12-01

    Heteroatom-doped graphitic frameworks have received great attention in energy research, since doping endows graphitic structures with a wide spectrum of properties, especially critical for electrochemical supercapacitors, which tend to complement or compete with the current lithium-ion battery technology/devices. This article reviews the latest developments in the chemical modification/doping strategies of graphene and highlights the versatility of such heteroatom-doped graphitic structures. Their role as supercapacitor electrodes is discussed in detail. This review is specifically focused on the concept of material synthesis, techniques for electrode fabrication and metrics of performance, predominantly covering the last four years. Challenges and insights into the future research and perspectives on the development of novel electrode architectures for electrochemical supercapacitors based on doped graphene are also discussed.

  7. Steady state growth of E. Coli in low ammonium environment

    NASA Astrophysics Data System (ADS)

    Kim, Minsu; Deris, Barret; Zhang, Zhongge; Hwa, Terry

    2011-03-01

    Ammonium is the preferred nitrogen source for many microorganisms. In medium with low ammonium concentrations, enteric bacteria turn on the nitrogen responsive (ntr) genes to assimilate ammonium. Two proteins in E. coli, Glutamine synthetase (GS) and the Ammonium/methylammonium transporter AmtB play crucial roles in this regard. GS is the major ammonium assimilation enzyme below 1mM of NH4 + . AmtB is an inner membrane protein that transports NH4 + across the cell membrane against a concentration gradient. In order to study ammonium uptake at low NH4 + concentration at neutral pH, we developed a microfluidic flow chamber that maintains a homogenous nutrient environment during the course of exponential cell growth, even at very low concentration of nutrients. Cell growth can be accurately monitored using time-lapse microscopy. We followed steady state growth down to micro-molar range of NH4 + for the wild type and Δ amtB strains. The wild type strain is able to maintain the growth rate from 10mM down to a few uM of NH4 + , while the mutant exhibited reduced growth below ~ 20 ~uM of NH4 + . Simultaneous characterization of the expression levels of GS and AmtB using fluorescence reporters reveals that AmtB is turned on already at 1mM, but contributes to function only below ~ 30 ~uM in the wild-type. Down to ~ 20 ~uM of NH4 + , E.~coli can compensate the loss of AmtB by GS alone.

  8. Mutagenic activity of quaternary ammonium salt derivatives of carbohydrates

    PubMed Central

    Sikora, Karol; Woziwodzka, Anna; Piosik, Jacek; Podgórska, Beata

    2016-01-01

    Summary This paper presents a study on a series of quaternary ammonium salt (QAS) derivatives of glucopyranosides with an elongated hydrophobic hydrocarbon chain. The new N-[6-(β-D-glucopyranosyloxy)hexyl]ammonium bromides and their O-acetyl derivatives were analyzed via 1H and 13C NMR spectroscopy. The mutagenic activity of the newly synthesized QAS was investigated using two different techniques: The Vibrio harveyi luminescence assay and the Ames test. The obtained results support previous findings contesting QAS safety and indicate that QAS, specifically pyridinium derivatives, might be mutagenic. PMID:27559394

  9. Construction techniques for adiabatic demagnetization refrigerators using ferric ammonium alum

    NASA Astrophysics Data System (ADS)

    Wilson, Grant W.; Timbie, Peter T.

    1999-07-01

    We describe techniques used to fabricate the cold stage of an adiabatic demagnetization refrigerator that uses the paramagnetic salt ferric ammonium alum. We discuss the design of a leak-tight housing for the salt as well as a technique for growing ferric ammonium alum crystals that results in a housing filled with >98% refrigerant. These techniques have proven to be reliable in creating robust single-stage refrigerators. Similar techniques can be used for the second stage of a dual-stage adiabatic demagnetization refrigerator.

  10. Precipitation of phenyl and phenoxypenicillin from solutions using ammonium sulfate.

    PubMed

    Luengo, J M

    1985-09-01

    An easy, rapid, and available method for separating 6-aminopenicillanic acid (6-APA), benzylpenicillin (penicillin G), and other related molecules from aqueous solutions or complex industrial broths is described. A high concentration of ammonium sulphate induces partially or totally the precipitation of the penicillin present in the solutions, while 6-APA, phenylacetic, and phenoxyacetic acid always remain in the supernatant. The filtration through No. 4 Pyrex glass-fiber filter or Whatman 3MM paper permits the separation of the compounds present in the supernatant from the other ones precipitated. The precipitated product was identified, in all cases, as ammonium penicillin. This method is described here for the first time.

  11. Effects of Co2+ doping on physicochemical behaviors of hierarchical NiO nanostructure

    NASA Astrophysics Data System (ADS)

    Ding, Caihua; Gao, WenChao; Zhao, Yongjie; Zhao, Yuzhen; Zhou, Heping; Li, Jingbo; Jin, Haibo

    2016-12-01

    A series of Co2+ doped NiO materials (Ni1-xCoxO with x = 0, 0.125, 0.25 and 0.5) were synthesized using a facile hydrothermal method followed by a calcination process. The effects of Co2+ doping on the structural, morphological, magnetic and catalytic properties of NiO were systematically investigated. The results indicated that Co2+ doping would bring about a series influence to the as-obtained NiO product. The XRD results indicated that within the region of 0 ≤ x ≤ 0.25 the doped products revealed a pure NiO phase. The elementary unit for the hierarchy NiO gradually transformed from nanosheets to nanoneedles with the increase of Co2+ doping content. As-obtained Co2+ doped NiO products showed ferromagnetism at room temperature and the magnetization value was increased with the increase of Co2+ doping content. The catalytic properties of NiO concerning the thermal decomposition of ammonium perchlorate (AP) were significantly improved via the introduction of Co2+. The Ni1-xCoxO products with x = 0.25 showed the best catalytic performance to AP, which could decrease the beginning and ending decomposition temperature of AP by 44 and 108 °C. The change of morphology, enhancement of electrical conductivity and the synergistic effect between Co2+ and NiO were the main factors responsible for the improvement of physicochemical behaviors.

  12. Conductivity study of nitrogen-doped calcium zinc oxide prepared by spray pyrolysis

    NASA Astrophysics Data System (ADS)

    Hsu, Yu-Ting; Lan, Wen-How; Huang, Kai-Feng; Lin, Jia-Ching; Chang, Kuo-Jen

    2016-01-01

    In this study, the spray pyrolysis method was used to prepare unintentionally doped and nitrogen-doped calcium zinc oxide films by using zinc acetate, calcium nitrate precursor, and ammonium acetate precursor. Morphological and structural analyses were conducted using scanning electron microscopy and X-ray diffraction. The results indicated that film grain size decreased as the nitrogen doping was increased. Both calcium oxide and zinc oxide structures were identified in the unintentionally doped calcium zinc oxide. When nitrogen doping was introduced, the film mainly exhibited a zinc oxide structure with preferred (002) and (101) orientations. The concentration and mobility were investigated using a Hall measurement system. P-type films with a mobility and concentration of 10.6 cm2 V-1 s-1 and 2.8×1017 cm-3, respectively, were obtained. Moreover, according to a temperature-dependent conductivity analysis, an acceptor state with activation energy 0.266 eV dominated the p-type conduction for the unintentionally doped calcium zinc oxide. By contrast, a grain boundary with a barrier height of 0.274-0.292 eV dominated the hole conduction for the nitrogen-doped calcium zinc oxide films.

  13. Exceptionally crystalline and conducting acid doped polyaniline films by level surface assisted solution casting approach

    SciTech Connect

    Puthirath, Anand B.; Varma, Sreekanth J.; Jayalekshmi, S.; Methattel Raman, Shijeesh

    2016-04-18

    Emeraldine salt form of polyaniline (PANI) was synthesized by chemical oxidative polymerisation method using ammonium persulfate as oxidant. Resultant emeraldine salt form of PANI was dedoped using ammonia solution and then re-doped with camphor sulphonic acid (CSA), naphthaline sulphonic acid (NSA), hydrochloric acid (HCl), and m-cresol. Thin films of these doped PANI samples were deposited on glass substrates using solution casting method with m-cresol as solvent. A level surface was employed to get homogeneous thin films of uniform thickness. Detailed X-ray diffraction studies have shown that the films are exceptionally crystalline. The crystalline peaks observed in the XRD spectra can be indexed to simple monoclinic structure. FTIR and Raman spectroscopy studies provide convincing explanation for the exceptional crystallinity observed in these polymer films. FESEM and AFM images give better details of surface morphology of doped PANI films. The DC electrical conductivity of the samples was measured using four point probe technique. It is seen that the samples also exhibit quite high DC electrical conductivity, about 287 S/cm for CSA doped PANI, 67 S/cm for NSA doped PANI 65 S/cm for HCl doped PANI, and just below 1 S/cm for m-cresol doped PANI. Effect of using the level surface for solution casting is studied and correlated with the observed crystallinity.

  14. Exceptionally crystalline and conducting acid doped polyaniline films by level surface assisted solution casting approach

    NASA Astrophysics Data System (ADS)

    Puthirath, Anand B.; Methattel Raman, Shijeesh; Varma, Sreekanth J.; Jayalekshmi, S.

    2016-04-01

    Emeraldine salt form of polyaniline (PANI) was synthesized by chemical oxidative polymerisation method using ammonium persulfate as oxidant. Resultant emeraldine salt form of PANI was dedoped using ammonia solution and then re-doped with camphor sulphonic acid (CSA), naphthaline sulphonic acid (NSA), hydrochloric acid (HCl), and m-cresol. Thin films of these doped PANI samples were deposited on glass substrates using solution casting method with m-cresol as solvent. A level surface was employed to get homogeneous thin films of uniform thickness. Detailed X-ray diffraction studies have shown that the films are exceptionally crystalline. The crystalline peaks observed in the XRD spectra can be indexed to simple monoclinic structure. FTIR and Raman spectroscopy studies provide convincing explanation for the exceptional crystallinity observed in these polymer films. FESEM and AFM images give better details of surface morphology of doped PANI films. The DC electrical conductivity of the samples was measured using four point probe technique. It is seen that the samples also exhibit quite high DC electrical conductivity, about 287 S/cm for CSA doped PANI, 67 S/cm for NSA doped PANI 65 S/cm for HCl doped PANI, and just below 1 S/cm for m-cresol doped PANI. Effect of using the level surface for solution casting is studied and correlated with the observed crystallinity.

  15. Effects of Ammonium and Non-Ammonium Salt Additions on Methane Oxidation by Methylosinus trichosporium OB3b and Maine Forest Soils.

    PubMed

    King, G M; Schnell, S

    1998-01-01

    Additions of ammonium and non-ammonium salts inhibit atmospheric methane consumption by soil at salt concentrations that do not significantly affect the soil water potential. The response of soils to non-ammonium salts has previously raised questions about the mechanism of ammonium inhibition. Results presented here show that inhibition of methane consumption by non-ammonium salts can be explained in part by ion-exchange reactions: cations desorb ammonium, with the level of desorption varying as a function of both the cation and anion added; differential desorption results in differential inhibition levels. Differences in the extent of inhibition among ammonium salts can also be explained in part by the effects of anions on ammonium exchange. In contrast, only minimal effects of cations and anions are observed in liquid cultures of Methylosinus trichosporium OB3b. The comparable level of inhibition by equinormal concentrations of NH(4)Cl and (NH(4))(2)SO(4) and the insensitivity of salt inhibition to increasing methane concentrations (from 10 to 100 ppm) are of particular interest, since both of these patterns are in contrast to results for soils. The greater inhibition of methane consumption for NH(4)Cl than (NH(4))(2)SO(4) in soils can be attributed to increased ammonium adsorption by sulfate; increasing inhibition by non-ammonium salts with increasing methane concentrations can be attributed to desorbed ammonium and a physiological mechanism proposed previously for pure cultures.

  16. Effects of Ammonium and Non-Ammonium Salt Additions on Methane Oxidation by Methylosinus trichosporium OB3b and Maine Forest Soils†

    PubMed Central

    King, G. M.; Schnell, S.

    1998-01-01

    Additions of ammonium and non-ammonium salts inhibit atmospheric methane consumption by soil at salt concentrations that do not significantly affect the soil water potential. The response of soils to non-ammonium salts has previously raised questions about the mechanism of ammonium inhibition. Results presented here show that inhibition of methane consumption by non-ammonium salts can be explained in part by ion-exchange reactions: cations desorb ammonium, with the level of desorption varying as a function of both the cation and anion added; differential desorption results in differential inhibition levels. Differences in the extent of inhibition among ammonium salts can also be explained in part by the effects of anions on ammonium exchange. In contrast, only minimal effects of cations and anions are observed in liquid cultures of Methylosinus trichosporium OB3b. The comparable level of inhibition by equinormal concentrations of NH4Cl and (NH4)2SO4 and the insensitivity of salt inhibition to increasing methane concentrations (from 10 to 100 ppm) are of particular interest, since both of these patterns are in contrast to results for soils. The greater inhibition of methane consumption for NH4Cl than (NH4)2SO4 in soils can be attributed to increased ammonium adsorption by sulfate; increasing inhibition by non-ammonium salts with increasing methane concentrations can be attributed to desorbed ammonium and a physiological mechanism proposed previously for pure cultures. PMID:16349485

  17. Structural, optical and photocatalytic activity of cerium doped zinc aluminate

    NASA Astrophysics Data System (ADS)

    Sumathi, Shanmugam; Kavipriya, A.

    2017-03-01

    Zinc aluminate and cerium-doped zinc aluminate nanoparticles are synthesised by co-precipitation method. Ammonium hydroxide is used as a precipitating agent. The synthesised compounds are characterised by powder X-ray diffraction (XRD), Fourier transform Infrared spectroscopy (FT-IR), Ultraviolet diffuse reflectance spectroscopy (UV-DRS), Thermogravimetric analysis (TGA), Scanning electron microscopy (SEM) and Surface area measurements. The photocatalytic activity of zinc aluminate and cerium doped zinc aluminate nanoparticles are studied under the UV light and visible light taking methylene blue as a model pollutant. The amount of catalyst, concentration of dye solution and time are optimised under UV-light. Degradation of methylene blue under the UV-light is found to be 99% in 20 min with 10 mg of cerium doped catalyst. Compared to visible light degradation, the degradation of dye under UV-light is higher. Cerium doping in zinc aluminate (ZnAl2O4:Ce3+) increased the photocatalytic activity of zinc aluminate.

  18. Intumescent flame retardant-derived P,N co-doped porous carbon as an efficient electrocatalyst for the oxygen reduction reaction.

    PubMed

    Wang, Yinling; Zhang, Xuemei; Li, Anna; Li, Maoguo

    2015-10-11

    An intumescent flame retardant (IFR), including melamine (MA), ammonium polyphosphate (APP), and polydopamine (PDA), was utilized as the precursor to prepare P,N co-doped hierarchically porous carbon which exhibited high electrocatalytic activity and durability for the oxygen reduction reaction (ORR). This finding indicates that an ingenious design of the precursor can lead to functional carbon materials using a simple process.

  19. DC electrical conductivity measurements for pure and titanium oxide doped KDP Crystals grown by gel medium

    NASA Astrophysics Data System (ADS)

    Mareeswaran, S.; Asaithambi, T.

    2016-10-01

    Now a day's crystals are the pillars of current technology. Crystals are applied in various fields like fiber optic communications, electronic industry, photonic industry, etc. Crystal growth is an interesting and innovative field in the subject of physics, chemistry, material science, metallurgy, chemical engineering, mineralogy and crystallography. In recent decades optically good quality of pure and metal doped KDP crystals have been grown by gel growth method in room temperature and its characterizations were studied. Gel method is a very simple and one of the easiest methods among the various crystal growth methods. Potassium dihydrogen phosphate KH2PO4 (KDP) continues to be an interesting material both academically and technologically. KDP is a delegate of hydrogen bonded materials which possess very good electrical and nonlinear optical properties in addition to interesting electro-optic properties. We made an attempt to grow pure and titanium oxide doped KDP crystals with various doping concentrations (0.002, 0.004, 0.006, 0.008 and 0.010) using gel method. The grown crystals were collected after 20 days. We get crystals with good quality and shaped crystals. The dc electrical conductivity (resistance, capacitance and dielectric constant) values of the above grown crystals were measured at two different frequencies (1KHz and 100 Hz) with a temperature range of 500C to 1200C using simple two probe setup with Q band digital LCR meter present in our lab. The electrical conductivity increases with the increase of temperature. Dielectric constants value of titanium oxide doped KDP crystal was slightly decreased compared with pure KDP crystals. Results were discussed in details.

  20. Effect of irradiation of swift heavy ions on dyes-doped KDP crystals for laser applications

    NASA Astrophysics Data System (ADS)

    Kumaresan, P.; Moorthy Babu, S.; Anbarasan, P. M.

    2008-04-01

    The organic dyes (amaranth, rhodamine and methyl orange) are doped in potassium dihydrogen phosphate (KDP) crystals. Influences of super saturation and dye concentration in the solution, on the color and crystal habit of KDP, were observed. Amaranth in the solution at low super saturation and high dye concentration colored the pyramidal section (1 0 1) of the crystals. The highly super saturated solutions produce entirely colored crystals. The concentration of dopants in the mother solution was varied from 0.1 to 10 mol%. The studies on pure and doped KDP crystals clearly indicate the effect of dopants on the crystal structure, in the absorption of IR frequencies and the non-linear optical property. Dye doping improves the NLO properties of the grown crystals. The frequencies with their relative intensities are obtained in FT-IR of pure and doped KDP. The very weak bands for dopants indicate its presence in low concentration. In view of the ever-growing importance of ion beams in optical material processing, this letter reports room temperature MeV Li + ion irradiation-induced depletion of hydrogen from single crystalline KDP which has wide applications as a non-linear optical material in optoelectronics technology. Irradiations have been performed using 50 MeV Li + ions up to a maximum dose of 2.4×10 15 ions cm -2. Simultaneously, detecting the elastically recoiled Li atoms has done hydrogen profiling. Bare KDP crystals show hydrogen loss of 72% at the maximum dose whereas Au-coated samples show that 60 Au layer acts as a barrier to considerably reduce hydrogen depletion from KDP. A possible explanation of these phenomena is suggested.