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Sample records for compound states cloused

  1. Transitions between compound states of spherical nuclei

    International Nuclear Information System (INIS)

    Kadmenskii, S.G.; Markushev, V.P.; Furman, V.I.

    1980-01-01

    Wigner's statistical matrices are used to study the average reduced g widths and their dispersion for g transitions from a compound state c to another state f, with a lower excitation energy but of arbitrary complexity, for spherical nuclei. It is found that the Porter--Thomas distribution holds for the g widths for all cases of practical interest. In g transitions between compound states c and c' with E/sub g/< or =2 MeV, the most important transitions are M1 transitions involving the major many-quasiparticle components of state c and E1 transitions involving the minor components of state c. It is shown that the strength functions predicted by the various theories for M1 and E1 transitions between compound states with E/sub g/< or =2 MeV are similar. Preference is assigned to the M1-transition version because of experimental results on (n,ga) reactions with thermal and resonance neutrons

  2. [Stability of physical state on compound hawthorn dropping pills].

    Science.gov (United States)

    Zhang, Wei; Chen, Hong-Yan; Jiang, Jian-Lan

    2008-11-01

    To evaluate the stability of physical state with accelerate test and dropping in process before and after on compound hawthorn dropping pills. Scanning electron microscope, TG-DTA, FT-IR and XRD were used. The active components presented amorphous, tiny crystal and molecular state in dropping pills, and it had no obvious reaction between PEG 4000 and active components. With time prolonging, a little of active components changed from amorphous state to tiny crystal or molecular state. Solid dispersion improved the stability and dissolution of compound hawthorn dropping pills.

  3. Thermodynamic behavior of glassy state of structurally related compounds.

    Science.gov (United States)

    Kaushal, Aditya Mohan; Bansal, Arvind Kumar

    2008-08-01

    Thermodynamic properties of amorphous pharmaceutical forms are responsible for enhanced solubility as well as poor physical stability. The present study was designed to investigate the differences in thermodynamic parameters arising out of disparate molecular structures and associations for four structurally related pharmaceutical compounds--celecoxib, valdecoxib, rofecoxib, and etoricoxib. Conventional and modulated temperature differential scanning calorimetry were employed to study glass forming ability and thermodynamic behavior of the glassy state of model compounds. Glass transition temperature of four glassy compounds was in a close range of 327.6-331.8 K, however, other thermodynamic parameters varied considerably. Kauzmann temperature, strength parameter and fragility parameter showed rofecoxib glass to be most fragile of the four compounds. Glass forming ability of the compounds fared similar in the critical cooling rate experiments, suggesting that different factors were determining the glass forming ability and subsequent behavior of the compounds in glassy state. A comprehensive understanding of such thermodynamic facets of amorphous form would help in rationalizing the approaches towards development of stable glassy pharmaceuticals.

  4. End States, Ladder Compounds, and Domain-Wall Fermions

    International Nuclear Information System (INIS)

    Creutz, M.

    1999-01-01

    A magnetic field applied to a cross-linked ladder compound can generate isolated electronic states bound to the ends of the chain. After exploring the interference phenomena responsible, I discuss a connection to the domain-wall approach to chiral fermions in lattice gauge theory. The robust nature of the states under small variations of the bond strengths is tied to chiral symmetry and the multiplicative renormalization of fermion masses. copyright 1999 The American Physical Society

  5. Gamma transitions between compound states in spherical nuclei

    International Nuclear Information System (INIS)

    Kadmenskij, S.G.; Markushev, V.P.; Furman, V.I.

    1980-01-01

    Average values of the reduced γ widths and their dispersions are investigated, basing on the Wigner statistical matrix method, for γ transitions from a compound state c into a less-energy excited state f of an arbitrary complexity in spherical nuclei. It is shown that in all the cases of practical interest the Porter-Thomas distribution is valid for the γ widths. It is found that in the γ transitions between compound states c and c' with Esub(γ) <= 2 MeV the dominating role is played by the M1 transitions due to the main multiquasiparticle states of c, and by the E1 transitions, due to small components of the state c. In framework of the existent theoretical schemes it is shown that the strength functions of the M1 and E1 transitions between the compound states with Esub(γ) <2 MeV are close. It is deduced thet the variant of the M1 transitions is preferable in view of the experimental results on the (n, γα) reactions induced by thermal and resonance neutrons

  6. Theoretical calculations of valence states in Fe-Mo compounds

    International Nuclear Information System (INIS)

    Estrada, F; Navarro, O; Noverola, H; Suárez, J R; Avignon, M

    2014-01-01

    The half-metallic ferromagnetic double perovskite compound Sr 2 FeMoO 6 is considered as an important material for spintronic applications. It appears to be fundamental to understand the role of electronic parameters controlling the half-metallic ground state. Fe-Mo double perovskites usually present some degree of Fe/Mo disorder which generally increases with doping. In this work, we study the valence states of Fe-Mo cations in the off-stoichiometric system Sr 2 Fe 1+x Mo 1−x O 6 (−1 ≤ x ≤ 1/3) with disorder. Our results for Fe and Mo valence states are obtained using the Green functions and the renormalization perturbation expansion method. The model is based on a correlated electron picture with localized Fe-spins and conduction Mo-electrons interacting with the local spins via a double-exchange-type mechanism

  7. Isotopic exchange in mixed valence compounds in the solid state

    International Nuclear Information System (INIS)

    Fernandez Valverde, S.M.

    1986-01-01

    This work aims at the determination of isotopic exchange kinetics and mechanism in two mixed valence compounds: Cs 10 (Sbsup(V)Cl 6 ) (Sbsup(III)Cl 6 ) 3 and Tl 3 sup(I)(Tlsup(III)Cl 6 ). The synthesis of the first compound is very difficult because in most of the cases mixtures of chloroantimoniates are obtained. Exchange in Tl 4 Cl 6 labelled on Tlsup(III) is studied in detail by radiochemical analysis and physical techniques: ionic conductivity and positon annihilation. Cation vacancies are easily created in the lattice with formation enthalpy of 0.35 eV and migration enthalpy of 0.52 eV. Isochronic and isothermal exchange curves are described by a kinetic based on species diffusion. Models are given. Exchange is increased by grinding probably because extrinseque defects are introduced [fr

  8. Self-association and infrared spectres of some heterocyclic compounds based on pyrrol in solid state

    International Nuclear Information System (INIS)

    Mulloev, N.; Nurulloev, M.; Narziev, B.N.

    1993-01-01

    Present article is devoted to self-association and infrared spectres of some heterocyclic compounds based on pyrrol in solid state. The study results of self-association specified by molecular hydrogen bonds of some heterocyclic compounds based on pyrrol on spectres of infrared absorption of stretching vibrations of N-H group were considered.

  9. Changes in volatile compound composition of Antrodia camphorata during solid state fermentation.

    Science.gov (United States)

    Xia, Yongjun; Zhang, Baorong; Li, Weijiang; Xu, Ganrong

    2011-10-01

    Although the volatiles present in mushrooms and fungi have been investigated by many researchers, including Antrodia camphorata in submerged fermentation, there are few data available regarding changes in volatile compounds during fermentation. Our research has revealed that solid state fermentation of A. camphorata is highly odiferous compared with submerged cultures and the odor changed with increasing culture time. Therefore the aim of this study was to investigate the changes in volatile compound composition of A. camphorata during solid state fermentation. Altogether, 124 major volatile compounds were identified. The volatile compounds produced by A. camphorata during growth in solid state fermentation were quite different. Oct-1-en-3-ol, octan-3-one and methyl 2-phenylacetate were predominant in exponential growth phase production, while the dominant volatiles produced in stationary phase were octan-3-one and methyl 2-phenylacetate. In stationary phase, lactone compounds in A. camphorata, such as 5-butyloxolan-2-one, 5-heptyloxolan-2-one, 6-heptyloxan-2-one, contributed greatly to peach and fruit-like flavor. Terpene and terpene alcohol compounds, such as 1-terpineol, L-linalool, T-cadinol, (E, E)-farnesol, β-elemene, cis-α-bisabolene and α-muurolene, made different contributions to herbal fresh aroma in A. camphorata. Nineteen volatile sesquiterpenes were detected from solid state fermentation of A. camphorata. The compounds 5-n-butyl-5H-furan-2-one, β-ionone, (-)-caryophyllene oxide, aromadendrene oxide, diepi-α-cedrene epoxide, β-elemene, α-selinene, α-muurolene, azulene, germacrene D, γ-cadinene and 2-methylpyrazine have not hitherto been reported in A. camphorata. The preliminary results suggest that the aroma-active compounds produced by A camphorata in solid state fermentation might serve as an important source of natural aroma compounds for the food and cosmetic industries or antibiotic activity compounds. The sesquiterpenes could be

  10. The electronic density of states of disordered compounds

    International Nuclear Information System (INIS)

    Geertsma, W.; Dijkstra, J.

    1984-11-01

    Recently, the electronic properties of liquid alkali (Li, Na, K, Rb, Cs)-group IV (Si, Ge, Sn, Pb) alloys have been discussed by the present authors using a tight-binding model. Only anion orbitals (= group IV) are taken into account. Disorder is described by a pseudo lattice, which takes into account local coordination in one of the sublattices (cation or anion) only. In the first part of this paper it is shown that this approximation is consistent with the usual valence rules used by structural chemists for crystalline structures. In the second part of the paper the solutions for the density of states of the tight-binding Hamiltonian are studied for a number of pseudolattices. The infinite set of Green function equations is solved by using the effective transfer method, which replaces the famous Block condition. It is shown that such a model can explain the formation of bandgaps in disordered systems. By choosing the proper smallest cluster(s) of transfer loops to model the real structure by a pseudolattice, a density of states is obtained which represents properly that of the corresponding crystalline structure. Structures reminiscent to those caused by van Hove singularities already appear in the electronic density of states when relatively small cluster(s) of transfer loops are used. The approach outlined in this paper is capable of describing the electronic density of states due to various degrees of local order in a sublattice. Some of the peculiarities occurring in the solution of the density of states of certain pseudolattices, such as poles outside the band, are discussed in an appendix. (author)

  11. 77 FR 71009 - Framework for Pharmacy Compounding: State and Federal Roles

    Science.gov (United States)

    2012-11-28

    ...] Framework for Pharmacy Compounding: State and Federal Roles AGENCY: Food and Drug Administration, HHS... Federal Roles.'' At this public meeting, FDA and State representatives will share their perspectives. Date... would require compliance with Federal standards. In addition, there are open questions about whether...

  12. Recent advances in the 5f-relevant electronic states and unconventional superconductivity of actinide compounds

    International Nuclear Information System (INIS)

    Haga, Yoshinori; Sakai, Hironori; Kambe, Shinsaku

    2007-01-01

    Recent advances in the understanding of the 5f-relevant electronic states and unconventional superconducting properties are reviewed in actinide compounds of UPd 2 Al 3 . UPt 3 , URu 2 Si 2 , UGe 2 , and PuRhGa 5 . These are based on the experimental results carried out on high-quality single crystal samples, including transuranium compounds, which were grown by using combined techniques. The paring state and the gap structure of these superconductors are discussed, especially for the corresponding Fermi surfaces which were clarified by the de Haas-van Alphen experiment and the energy band calculations. A detailed systematic study using the NQR/NMR spectroscopy reveals the d-wave superconductivity in PuRhGa 5 and the difference of magnetic excitations due to the difference of ground states in U-, Np-, and Pu-based AnTGa 5 (T: transition metal) compounds. (author)

  13. Production and Recovery of Aroma Compounds Produced by Solid-State Fermentation Using Different Adsorbents

    Directory of Open Access Journals (Sweden)

    Adriane B. P. Medeiros

    2006-01-01

    Full Text Available Volatile compounds with fruity characteristics were produced by Ceratocystis fimbriata in two different bioreactors: columns (laboratory scale and horizontal drum (semi-pilot scale. Coffee husk was used as substrate for the production of volatile compounds by solid-state fermentation. The production of volatile compounds was significantly higher when horizontal drum bioreactor was used than when column bioreactors were used. These results showed that this model of bioreactor presents good perspectives for scale-up and application in an industrial production. Headspace analysis of the solid-state culture detected twelve compounds, among them: ethanol, acetaldehyde, ethyl acetate, ethyl propionate, and isoamyl acetate. Ethyl acetate was the predominant product in the headspace (28.55 µmol/L/g of initial dry matter. Activated carbon, Tenax-TA, and Amberlite XAD-2 were tested to perform the recovery of the compounds. The adsorbent columns were connected to the column-type bioreactor. All compounds present in the headspace of the columns were adsorbed in Amberlite XAD-2. With Tenax-TA, acetaldehyde was adsorbed in higher concentrations. However, the recovery found by using the activated carbon was very low.

  14. On the valence state of Yb and Ce in transition metal intermetallic compounds

    International Nuclear Information System (INIS)

    Boer, F.R. de; Dijkman, W.H.; Mattens, W.C.M.

    1979-01-01

    In the pure state Yb is a divalent metal, similar to Ca; in alloys it can become trivalent like the majority of the rare earth metals. Using a value of 38 kJ (mol Yb) -1 for the energy difference between divalent and trivalent Yb metal and using model calculations for the heat of formation of intermetallic compounds, the authors are able to account for the existing information on the valence state of Yb in transition metal compounds. A similar analysis of compounds of Ce with transition metals shows that a model in which the 4f electron is treated as a core electron, i.e. being absent in the tetravalent modification of Ce and present as a fully localized electron in trivalent Ce, does not apply. (Auth.)

  15. Equation of state for neutron matter in the Quark Compound Bag model

    Science.gov (United States)

    Krivoruchenko, M. I.

    2017-11-01

    The equation of state for neutron matter is derived in the framework of the Quark Compound Bag model, in which the nucleon-nucleon interaction is generated by the s-channel exchange of six-quark Jaffe-Low primitives.

  16. Densities of accessible final states for multi-step compound reactions

    International Nuclear Information System (INIS)

    Maoming De; Guo Hua

    1993-01-01

    The densities of accessible final states for calculations of multi-step compound reactions are derived. The Pauli exclusion principle is taken into account in the calculations. The results are compared with a previous author's results and the effect of the Pauli exclusion principle is investigated. (Author)

  17. Structural instability and ground state of the U{sub 2}Mo compound

    Energy Technology Data Exchange (ETDEWEB)

    Losada, E.L., E-mail: losada@cab.cnea.gov.ar [SIM" 3, Centro Atómico Bariloche, Comisión Nacional de Energía Atómica (Argentina); Garcés, J.E. [Gerencia de Investigación y Aplicaciones Nucleares, Comisión Nacional de Energía Atómica (Argentina)

    2015-11-15

    This work reports on the structural instability at T = 0 °K of the U{sub 2}Mo compound in the C11{sub b} structure under the distortion related to the C{sub 66} elastic constant. The electronic properties of U{sub 2}Mo such as density of states (DOS), bands and Fermi surface (FS) are studied to understand the source of the instability. The C11{sub b} structure can be interpreted as formed by parallel linear chains along the z-directions each one composed of successive U–Mo–U blocks. Hybridization due to electronic interactions inside the U–Mo–U blocks is slightly modified under the D{sub 6} distortion. The change in distance between chains modifies the U–U interaction and produces a split of f-states. The distorted structure is stabilized by a decrease in energy of the hybridized states, mainly between d-Mo and f-U states, together with the f-band split. Consequently, an induced Peierls distortion is produced in U{sub 2}Mo due to the D{sub 6} distortion. It is important to note that the results of this work indicate that the structure of the ground state of the U{sub 2}Mo compound is not the assumed C11{sub b} structure. It is suggested for the ground state a structure with hexagonal symmetry (P6 #168), ∼0.1 mRy below the energy of the recently proposed Pmmn structure. - Highlights: • Structural instability of the C11b compound due to the D6 deformation. • Induced Peierls distortion due to the D6 deformation. • Distorted structure is stabilized by hybridization and split of f-Uranium state. • P6 (#168) suggested ground state for the U{sub 2}Mo compound.

  18. Particle-hole state densities for statistical multi-step compound reactions

    International Nuclear Information System (INIS)

    Oblozinsky, P.

    1986-01-01

    An analytical relation is derived for the density of particle-hole bound states applying the equidistant-spacing approximation and the Darwin-Fowler statistical method. The Pauli exclusion principle as well as the finite depth of the potential well are taken into account. The set of densities needed for calculations of multi-step compound reactions is completed by deriving the densities of accessible final states for escape and damping. (orig.)

  19. Structural instability and ground state of the U_2Mo compound

    International Nuclear Information System (INIS)

    Losada, E.L.; Garcés, J.E.

    2015-01-01

    This work reports on the structural instability at T = 0 °K of the U_2Mo compound in the C11_b structure under the distortion related to the C_6_6 elastic constant. The electronic properties of U_2Mo such as density of states (DOS), bands and Fermi surface (FS) are studied to understand the source of the instability. The C11_b structure can be interpreted as formed by parallel linear chains along the z-directions each one composed of successive U–Mo–U blocks. Hybridization due to electronic interactions inside the U–Mo–U blocks is slightly modified under the D_6 distortion. The change in distance between chains modifies the U–U interaction and produces a split of f-states. The distorted structure is stabilized by a decrease in energy of the hybridized states, mainly between d-Mo and f-U states, together with the f-band split. Consequently, an induced Peierls distortion is produced in U_2Mo due to the D_6 distortion. It is important to note that the results of this work indicate that the structure of the ground state of the U_2Mo compound is not the assumed C11_b structure. It is suggested for the ground state a structure with hexagonal symmetry (P6 #168), ∼0.1 mRy below the energy of the recently proposed Pmmn structure. - Highlights: • Structural instability of the C11b compound due to the D6 deformation. • Induced Peierls distortion due to the D6 deformation. • Distorted structure is stabilized by hybridization and split of f-Uranium state. • P6 (#168) suggested ground state for the U_2Mo compound.

  20. Cascade γ-decay of a heavy nucleus compound state: the experimental picture

    International Nuclear Information System (INIS)

    Sukhovoj, A.M.; Khitrov, V.A.

    1997-01-01

    Peculiarities of excitation and decay (for assigned final state of excited levels of 35 nuclei from 114 Cd to 200 Hg in energy range, equal approximately to the neutron binding energy, were studied in experiments with the use of the method of summation of amplitudes of coinciding pulses from Ge-detectors. Main features of the process of cascade γ-decay of compound states (neutron resonances) of the most complex nuclei were revealed in the whole range of levels dictating this process

  1. Equation of states and phonons at high pressure of intermediate valence compound TmTe

    International Nuclear Information System (INIS)

    Jha, Prafulla K.; Sanyal, Sankar P.

    1997-01-01

    The study of equation of states and pressure dependence of the phonon frequencies of the compound TmTe have been performed by using a simple interatomic potential approach in the frame work of rigid ion model. The compressibility study confirms that below 2 GPa the valence of the Tm is 2+ while there is a valence transition from Tm 2+ to Tm 3+ above 2 GPa. The phonon frequencies of TmTe increases as pressure is increased. (author)

  2. Iron based superconductors and related compounds synthesized by solid state metathesis and high temperature reactions

    International Nuclear Information System (INIS)

    Frankovsky, Rainer

    2013-01-01

    The results of this thesis can be divided into three major topics, which can also be seen as different approaches of solid state chemistry to reveal interesting features of known and unknown compounds and to develop alternative synthesis routes. Firstly, known compounds with related structural motifs to the superconducting iron-arsenides were investigated regarding their structural and physical properties. In case of La 3 Pd 4 Ge 4 the influence of Fe doping on the properties was studied, whereas in the series ZrMAs (M=Ti,V) the physical properties have not yet been reported at all and were investigated for the first time. Secondly, an alternative synthesis route has been developed for the synthesis of superconducting LaFeAsO 1-x F x . This solid state metathesis reaction distinctly increased the quality of the samples compared to conventionally prepared products. Furthermore, the reaction pathway was investigated and clarified, which helps to understand the processes during high temperature solid state metathesis reactions in general. Thirdly, this alternative synthesis route was expanded to other systems and new compounds like co-substituted LaFe 1-x Mn x AsO 1-y F y were prepared and thoroughly investigated. This led to a complex study of the interplay of magnetism, electronic and structural conditions and the occurrence of superconducting properties. The investigation and understanding of such complex coherences will probably be decisive for the further understanding of the superconducting mechanism in iron based superconductors.

  3. Cyanotoxin mixtures and taste-and-odor compounds in cyanobacterial blooms from the midwestern united states

    Science.gov (United States)

    Graham, J.L.; Loftin, K.A.; Meyer, M.T.; Ziegler, A.C.

    2010-01-01

    The mixtures of toxins and taste-and-odor compounds present during cyanobacterial blooms are not well characterized and of particular concern when evaluating potential human health risks. Cyanobacterial blooms were sampled in twenty-three Midwestern United States lakes and analyzed for community composition, thirteen cyanotoxins by liquid chromatography/mass spectrometry and immunoassay, and two taste-and-odor compounds by gas chromatography/mass spectrometry. Aphanizomenon, Cylindrospermopsis and/or Microcystis were dominant in most (96%) blooms, but community composition was not strongly correlated with toxin and taste-and-odor occurrence. Microcystins occurred in all blooms. Total microcystin concentrations measured by liquid chromatography/mass spectrometry and immunoassay were linearly related (rs = 0.76, p cyanotoxins occurred in 48% of blooms and 95% had multiple microcystin variants. Toxins and taste-and-odor compounds frequently co-occurred (91% of blooms), indicating odor may serve as a warning that cyanotoxins likely are present. However, toxins occurred more frequently than taste-and-odor compounds, so odor alone does not provide sufficient warning to ensure human-health protection. ?? This article not subject to U.S. Copyright. Published 2010 by the American Chemical Society.

  4. Formation of low charge state ions of synthetic polymers using quaternary ammonium compounds.

    Science.gov (United States)

    Nasioudis, Andreas; Joyce, William F; van Velde, Jan W; Heeren, Ron M A; van den Brink, Oscar F

    2010-07-01

    Factors such as high polymer dispersity and variation in elemental composition (of copolymers) often complicate the electrospray ionization mass spectrometry (ESI-MS) analysis of synthetic polymers with high molar mass. In the experiments described in this study, quaternary ammonium compounds were observed to facilitate the production of low charge state pseudomolecular ions when added to the spray solution for ESI-MS. This approach was then used for the ESI time-of-flight mass spectrometry (TOF-MS) analysis of synthetic polymers. Hexadecyltrimethylammonium chloride permitted the successful analysis of poly(ethylene glycol) of 2-40 kDa, poly(propylene glycol) and poly(tetramethylene glycol) oligomers. Increasing the quaternary ammonium compounds' concentration results in the production of low charge state pseudomolecular ions. A comparison of structurally different quaternary ammonium compounds showed that the best performance is expected from large molecules with specific charge localization, which leaves the charge available for interactions. The applicability of the method for the MS analysis of other polymeric systems was also studied. In the case of poly(tetramethylene glycol), the method not only shifted the distributions to higher m/z values but also allowed the detection of high molecular weight material that was not observed without addition of the modifier to the spray solution.

  5. Pressure-induced valence change and moderate heavy fermion state in Eu-compounds

    Science.gov (United States)

    Honda, Fuminori; Okauchi, Keigo; Sato, Yoshiki; Nakamura, Ai; Akamine, Hiromu; Ashitomi, Yosuke; Hedo, Masato; Nakama, Takao; Takeuchi, Tetsuya; Valenta, Jaroslav; Prchal, Jiri; Sechovský, Vladimir; Aoki, Dai; Ōnuki, Yoshichika

    2018-05-01

    A pressure-induced valence transition has attracted much attention in Eu-compounds. Among them, EuRh2Si2, EuNi2Ge2, and EuCo2Ge2 reveal the valence transition around 1, 2, and 3 GPa, respectively. We have succeeded in growing single crystals of EuT2X2 (T: transition metal, X: Si, Ge) and studied electronic properties under pressure. EuRh2Si2 indicates a first-order valence transition between 1 and 2 GPa, with a large and prominent hysteresis in the electrical resistivity. At higher pressures, the first-order valence transition changes to a cross-over regime with an intermediate valence state. Tuning of the valence state with pressure is reflected in a drastic change of the temperature dependence of the electrical resistivity in EuRh2Si2 single crystals. Effect of pressure on the valence states on EuRh2Si2, EuIr2Si2, EuNi2Ge2, and EuCo2Ge2, as well as an isostructural related compound EuGa4, are reviewed.

  6. Excitation of compound states in the subsystems as indirect tool in nuclear astrophysics

    Directory of Open Access Journals (Sweden)

    Tribble R.E.

    2010-03-01

    Full Text Available Astrophysical reactions proceeding through compound states represent one of the crucial part of nuclear astrophysics. However, due to the presence of the Coulomb barrier, it is often very difficult or even impossible to obtain the astrophysical S (E factor from measurements in the laboratory at astrophysically relevant energies. The Trojan Horse method (THM provides a unique tool to obtain the information about resonant astrophysical reactions at astrophysically relevant energies. Here the theory and application of the THM for the resonant reactions is addressed.

  7. Solid-state ionics: Studies of lithium-conducting sulfide glasses and a superconducting oxide compound

    International Nuclear Information System (INIS)

    Ahn, Byung Tae.

    1989-01-01

    The first part of this work studies lithium-conducting sulfide glasses for battery applications, while the second part studies the thermodynamic properties of a superconducting oxide compound by using an oxide electrolyte. Lithium conducting glasses based on the SiS 2 -Li 2 S system are possible solid electrolytes for high-energy-density lithium batteries. The foremost requirement for solid electrolytes is that they should have high ionic conductivities. Unfortunately, most crystalline lithium conductors have low ionic conductivities at room temperature. However, glass ionic conductors show higher ionic conductivities than do crystalline forms of the same material. In addition to higher ionic conductivities, glasses appear to have several advantages over crystalline materials. These advantages include isotropic conductivity, absence of grain boundary effects, ease of glass forming, and the potential for a wide range of stability to oxidizing and reducing conditions. Using pyrolitic graphite-coated quartz ampoules, new ternary compounds and glasses in the SiS 2 -Li 2 S system were prepared. Several techniques were used to characterize the materials: powder x-ray diffraction, differential thermal analysis, differential scanning calorimetry, and AC impedance spectroscopy. The measured lithium conductivity of the sulfide glasses was one of the highest among the known solid lithium conductors. Measuring the equilibrium open circuit voltages assisted in determining the electrochemical stabilities of the ternary compounds and glasses with respect to pure Li. A solid-state ionic technique called oxygen coulometric titration was used to measure the thermodynamic stability, the oxygen stoichiometry, and the effects of the oxygen stoichiometry, and the effects of the oxygen stoichiometry and the cooling rate on superconductivity of the YBa 2 Cu 3 O 7-x compound were investigated

  8. Density of states model for the lattice transformation in A-15 compounds

    International Nuclear Information System (INIS)

    Pietrass, B.; Handstein, A.; Behr, G.

    1980-01-01

    The cubic-tetragonal lattice transformation in A-15 compounds is described by an empirical model in which the density of states function near the Fermi energy is characterized by a two-parametric peak in addition to the constant part. Two types of peak splitting under tetragonal deformation are considered, leading to qualitatively different results about the phase transition. Results are given for the order parameter, the phase stability, the soft elastic modulus, and the paramagnetic spin susceptibility. Comparing with measurements of the magnetic susceptibility of V 3 Si single crystals near the phase transition a better agreement is obtained for a twofold degenerate density of states peak than for a threefold degenerate one. (author)

  9. EPR studies of excited state exchange and crystal-field effects in rare earth compounds

    International Nuclear Information System (INIS)

    Huang, C.Y.; Sugawara, K.; Cooper, B.R.

    1976-01-01

    EPR in excited crystal-field states of Tm 3+ , Pr 3+ , and Tb 3+ in singlet-ground-state systems and in the excited state of Ce 3+ in CeP are reviewed. Because one is looking at a crystal-field excited state resonance, the exchange, even if isotropic, does not act as a secular perturbation. This means that one obtains different effects and has access to more information about the dynamic effects of exchange than in conventional paramagnetic resonance experiments. The Tm and Pr monopnictides studied are paramagnetic at all temperatures. The most striking feature of the behavior of the GAMMA 5 /sup (2)/ EPR in the Tm compounds is the presence of an anomalous maximum in the temperature dependence of the g-factor. The relationship of this effect to anisotropic exchange is discussed. The results of the EPR of the excited GAMMA 5 /sup (2)/ level of Tb 3 + (g-factor becomes very large at T/sub N/ in antiferromagnetic TbX (X = P, As, Sb) and that of the excited GAMMA 8 level of Ce 3+ in antiferromagnetic CeP will also be reported. For sufficient dilution of the Tb 3+ in the terbium monopnictides, the systems become paramagnetic (Van Vleck paramagnets) down to 0 0 K. The Tb 3+ excited state resonance EPR in Tb/sub 0.1/ La/sub 0.9/P was studied as an example of behavior in such systems. 10 fig

  10. State of the Art on Functional Virgin Olive Oils Enriched with Bioactive Compounds and Their Properties

    Directory of Open Access Journals (Sweden)

    Patricia Reboredo-Rodríguez

    2017-03-01

    Full Text Available Virgin olive oil, the main fat of the Mediterranean diet, is per se considered as a functional food—as stated by the European Food Safety Authority (EFSA—due to its content in healthy compounds. The daily intake of endogenous bioactive phenolics from virgin olive oil is variable due to the influence of multiple agronomic and technological factors. Thus, a good strategy to ensure an optimal intake of polyphenols through habitual diet would be to produce enriched virgin olive oil with well-known bioactive polyphenols. Different sources of natural biological active substances can be potentially used to enrich virgin olive oil (e.g., raw materials derived from the same olive tree, mainly olive leaves and pomaces, and/or other compounds from plants and vegetables, mainly herbs and spices. The development of these functional olive oils may help in prevention of chronic diseases (such as cardiovascular diseases, immune frailty, ageing disorders and degenerative diseases and improving the quality of life for many consumers reducing health care costs. In the present review, the most relevant scientific information related to the development of enriched virgin olive oil and their positive human health effects has been collected and discussed.

  11. Tunable Weyl and Dirac states in the nonsymmorphic compound CeSbTe.

    Science.gov (United States)

    Schoop, Leslie M; Topp, Andreas; Lippmann, Judith; Orlandi, Fabio; Müchler, Lukas; Vergniory, Maia G; Sun, Yan; Rost, Andreas W; Duppel, Viola; Krivenkov, Maxim; Sheoran, Shweta; Manuel, Pascal; Varykhalov, Andrei; Yan, Binghai; Kremer, Reinhard K; Ast, Christian R; Lotsch, Bettina V

    2018-02-01

    Recent interest in topological semimetals has led to the proposal of many new topological phases that can be realized in real materials. Next to Dirac and Weyl systems, these include more exotic phases based on manifold band degeneracies in the bulk electronic structure. The exotic states in topological semimetals are usually protected by some sort of crystal symmetry, and the introduction of magnetic order can influence these states by breaking time-reversal symmetry. We show that we can realize a rich variety of different topological semimetal states in a single material, CeSbTe. This compound can exhibit different types of magnetic order that can be accessed easily by applying a small field. Therefore, it allows for tuning the electronic structure and can drive it through a manifold of topologically distinct phases, such as the first nonsymmorphic magnetic topological phase with an eightfold band crossing at a high-symmetry point. Our experimental results are backed by a full magnetic group theory analysis and ab initio calculations. This discovery introduces a realistic and promising platform for studying the interplay of magnetism and topology. We also show that we can generally expand the numbers of space groups that allow for high-order band degeneracies by introducing antiferromagnetic order.

  12. Structure and magnetic ground states of spin-orbit coupled compound alpha-RuCl3

    Science.gov (United States)

    Banerjee, Arnab; Bridges, Craig; Yan, Jiaqiang; Mandrus, David; Stone, Matthew; Aczel, Adam; Li, Ling; Yiu, Yuen; Lumsden, Mark; Chakoumakos, Bryan; Tennant, Alan; Nagler, Stephen

    2015-03-01

    The layered material alpha-RuCl3 is composed of stacks of weakly coupled honeycomb lattices of octahedrally coordinated Ru3 + ions. The Ru ion ground state has 5 d electrons in the low spin state, with spin-orbit coupling very strong compared to other terms in the single ion Hamiltonian. The material is therefore an excellent candidate for investigating possible Heisenberg-Kitaev physics. In addition, this compound is very amenable to investigation by neutron scattering to explore the magnetic ground state and excitations in detail. In this talk, we discuss the synthesis of phase-pure alpha-RuCl3 and the characterization of the magnetization, susceptibility, and heat-capacity. We also report neutron diffraction on both powder and single crystal alpha-RuCl3, identifying the low temperature magnetic order observed in the material. The results, when compared to theoretical calculations, shed light on the relative importance of Kitaev and Heisenberg terms in the Hamiltonian. The research is supported by the DOE BES Scientific User Facility Division.

  13. The Super-Radiant Mechanism and the Widths of Compound Nuclear States

    International Nuclear Information System (INIS)

    Auerbach, N

    2012-01-01

    In the introduction I will present the theory of the super-radiant mechanism as applied to various phenomena. I will then discuss the statistics of resonance widths in a many-body Fermi system with open decay channels. Depending on the strength of the coupling to the continuum such systems show deviations from the standard Porter-Thomas distribution. The deviations result from the process of increasing interaction of the intrinsic states through the common decay channels. In the limit of very strong coupling this leads to super-radiance. The results I will present are important for the understanding of recent experimental data concerning the width distribution of compound neutron resonances in nuclei.

  14. New quasibound states of the compound nucleus in α -particle capture by the nucleus

    Science.gov (United States)

    Maydanyuk, Sergei P.; Zhang, Peng-Ming; Zou, Li-Ping

    2017-07-01

    We generalize the theory of nuclear decay and capture of Gamow that is based on tunneling through the barrier and internal oscillations inside the nucleus. In our formalism an additional factor is obtained, which describes distribution of the wave function of the the α particle inside the nuclear region. We discover new most stable states (called quasibound states) of the compound nucleus (CN) formed during the capture of α particle by the nucleus. With a simple example, we explain why these states cannot appear in traditional calculations of the α capture cross sections based on monotonic penetrabilities of a barrier, but they appear in a complete description of the evolution of the CN. Our result is obtained by a complete description of the CN evolution, which has the advantages of (1) a clear picture of the formation of the CN and its disintegration, (2) a detailed quantum description of the CN, (3) tests of the calculated amplitudes based on quantum mechanics (not realized in other approaches), and (4) high accuracy of calculations (not achieved in other approaches). These peculiarities are shown with the capture reaction of α +44Ca . We predict quasibound energy levels and determine fusion probabilities for this reaction. The difference between our approach and theory of quasistationary states with complex energies applied for the α capture is also discussed. We show (1) that theory does not provide calculations for the cross section of α capture (according to modern models of the α capture), in contrast with our formalism, and (2) these two approaches describe different states of the α capture (for the same α -nucleus potential).

  15. Cubic rare-earth compounds: variants of the three-state Potts model

    International Nuclear Information System (INIS)

    Kim, D.; Levy, P.M.; Uffer, L.F.

    1975-01-01

    In appropriate cubic fields, rare-earth ions have sixfold degenerate ground states. When the angular momentum of the rare earth is large, the six levels are characterized by states that are directed along the cube edges. Within these states the angular momentum operators J/sub x/, J/sub y/, and J/sub z/ have particularly simple matrix representations. The projection of an isotropic pair coupling between the rare earths onto these sixfold degenerate states leads to an interaction Hamiltonian H = -I Σ/sub (ij)/ sigma/sub i/sigma/sub j/delta/sub l/sub i/sub l/sub j//, where sigma takes on the values +-1 and l the values x, y, and z. This interaction is a variant of the three-state Potts model. Magnetic and quadrupolar anisotropy field terms are added to the Hamiltonian and the symmetry properties of the phase diagram associated with this model are determined. For nonzero quadrupolar anisotropy fields, the model is shown to have the thermodynamic behavior of an Ising model. However, for zero fields a new symmetry appears and in the mean-field approximation the model has tricritical-like exponents. This simple model is able to account for the large specific-heat critical exponent α' = 1 / 2 which has been observed for holmium antimonide in zero external fields. To the extent that the mean-field approximation is an accurate guide, we predict there are many cubic rare-earth compounds which exhibit tricritical-like behavior in zero field. In addition, for pure quadrupole coupling between rare earths in the sixfold degenerate states, the interaction Hamiltonian is exactly the three-state Potts model. In the mean-field approximation this system has a first-order phase transition. However, a small quadrupolar anisotropy field is sufficient to drive the system to a wing critical point. The specific heat has a critical exponent of α = 2 / 3 or 1 depending on the path taken to approach this critical point. (auth)

  16. Solid-state laser pumping with a planar compound parabolic concentrator.

    Science.gov (United States)

    Panteli, D V; Pani, B M; Beli, L Z

    1997-10-20

    A novel solid-state laser-pumping scheme is proposed that combines a reflective lamp chamber and a compound parabolic concentrator (CPC) as a light guide. The CPC is made of a transparent material of high refractive index, and light is guided by the total internal reflection, with drastically reduced reflection losses. Material is chosen so that the absorption losses are minimized in the pumping wavelength range. The lamp chamber is designed with the principles of nonimaging optics, which ensures that the radiation is efficiently transferred from the lamp to the input aperture of the CPC. The pumping efficiency was first estimated theoretically, which gave us enough justification for the more accurate calculations with ray tracing. Single as well as multiple pumping cavities are discussed. New pumping geometry results in significantly increased pumping efficiency compared with conventional geometries. Also the lamp and the laser rod are separated, leading to reduced thermal load. We found that the proposed pumping method is also applicable to diode-pumped lasers.

  17. Enhanced extraction of phenolic compounds from coffee industry’s residues through solid state fermentation by Penicillium purpurogenum

    Directory of Open Access Journals (Sweden)

    Lady Rossana PALOMINO García

    2015-01-01

    Full Text Available Abstract The use of agroindustrial residues is an economical solution to industrial biotechnology. Coffee husk and pulp are abounding residues from coffee industry which can be used as substrates in solid state fermentation process, thus allowing a liberation and increase in the phenolic compound content with high added value. By employing statistical design, initial moisture content, pH value in the medium, and the incubation temperature were evaluated, in order to increase the polyphenol content in a process of solid state fermentation by Penicillium purpurogenum. The main phenolic compounds identified through HPLC in fermented coffee residue were chlorogenic acid, caffeic acid, and rutin. Data obtained through HPLC with the radical absorbance capacity assay suggest the fermented coffee husk and pulp extracts potential as a source of phenolic acids and flavonoids. Results showed good perspectives when using P. purpurogenum strain to enhance the liberation of phenolic compounds in coffee residues.

  18. Development of corresponding states model for estimation of the surface tension of chemical compounds

    DEFF Research Database (Denmark)

    Gharagheizi, Farhad; Eslamimanesh, Ali; Sattari, Mehdi

    2013-01-01

    include critical temperature or temperature/critical volume/acentric factor/critical pressure/reduced temperature/reduced normal boiling point temperature/molecular weight of the compounds. Around 1,300 surface tension data of 118 random compounds are used for developing the first model (a four...

  19. Cooperation of CMEA member states in the field of the manufacture and use of stable isotopes and compounds thus labelled

    International Nuclear Information System (INIS)

    Ertel, G.; Ewald, G.

    1977-01-01

    The contribution presents a survey of scientific-technical cooperation of CMEA member states in the field of stable isotopes, it deals with the specialization of stable isotope production and compounds thus labelled, and gives the prospects for further development of this cooperation. (HK) [de

  20. Room Temperature Hard Radiation Detectors Based on Solid State Compound Semiconductors: An Overview

    Science.gov (United States)

    Mirzaei, Ali; Huh, Jeung-Soo; Kim, Sang Sub; Kim, Hyoun Woo

    2018-05-01

    Si and Ge single crystals are the most common semiconductor radiation detectors. However, they need to work at cryogenic temperatures to decrease their noise levels. In contrast, compound semiconductors can be operated at room temperature due to their ability to grow compound materials with tunable densities, band gaps and atomic numbers. Highly efficient room temperature hard radiation detectors can be utilized in biomedical diagnostics, nuclear safety and homeland security applications. In this review, we discuss room temperature compound semiconductors. Since the field of radiation detection is broad and a discussion of all compound materials for radiation sensing is impossible, we discuss the most important materials for the detection of hard radiation with a focus on binary heavy metal semiconductors and ternary and quaternary chalcogenide compounds.

  1. Room Temperature Hard Radiation Detectors Based on Solid State Compound Semiconductors: An Overview

    Science.gov (United States)

    Mirzaei, Ali; Huh, Jeung-Soo; Kim, Sang Sub; Kim, Hyoun Woo

    2018-03-01

    Si and Ge single crystals are the most common semiconductor radiation detectors. However, they need to work at cryogenic temperatures to decrease their noise levels. In contrast, compound semiconductors can be operated at room temperature due to their ability to grow compound materials with tunable densities, band gaps and atomic numbers. Highly efficient room temperature hard radiation detectors can be utilized in biomedical diagnostics, nuclear safety and homeland security applications. In this review, we discuss room temperature compound semiconductors. Since the field of radiation detection is broad and a discussion of all compound materials for radiation sensing is impossible, we discuss the most important materials for the detection of hard radiation with a focus on binary heavy metal semiconductors and ternary and quaternary chalcogenide compounds.

  2. Study on the state of a surface of compounds of vanadium with light elements

    International Nuclear Information System (INIS)

    Povstugar, V.I.; Mikhajlova, S.S.; Trapeznikov, V.A.

    1976-01-01

    Roentgenoelectron study of powderlike compounds of vanadium with light elements (C, N, O, S) was carried out. The study was made in the temperature range of 70-500 deg C. The results were obtained in an electron magnetic spectrometer. Spectra of inner levels O 1S and V 2p and valance bands are presented. The experimental results can be employed for the study of synthesis problems of the given class of compounds. Due to high surface activity the study of catalytic properties of finely dispersed vanadium compounds by roentgenoelectron spectroscopy method gives much information about surface processes

  3. Exploratory Characterization of Phenolic Compounds with Demonstrated Anti-Diabetic Activity in Guava Leaves at Different Oxidation States

    Directory of Open Access Journals (Sweden)

    Elixabet Díaz-de-Cerio

    2016-05-01

    Full Text Available Psidium guajava L. is widely used like food and in folk medicine all around the world. Many studies have demonstrated that guava leaves have anti-hyperglycemic and anti-hyperlipidemic activities, among others, and that these activities belong mainly to phenolic compounds, although it is known that phenolic composition in guava tree varies throughout seasonal changes. Andalusia is one of the regions in Europe where guava is grown, thus, the aim of this work was to study the phenolic compounds present in Andalusian guava leaves at different oxidation states (low, medium, and high. The phenolic compounds in guava leaves were determined by HPLC-DAD-ESI-QTOF-MS. The results obtained by chromatographic analysis reported that guava leaves with low degree of oxidation had a higher content of flavonols, gallic, and ellagic derivatives compared to the other two guava leaf samples. Contrary, high oxidation state guava leaves reported the highest content of cyanidin-glucoside that was 2.6 and 15 times higher than guava leaves with medium and low oxidation state, respectively. The QTOF platform permitted the determination of several phenolic compounds with anti-diabetic properties and provided new information about guava leaf phenolic composition that could be useful for nutraceutical production.

  4. Exploratory Characterization of Phenolic Compounds with Demonstrated Anti-Diabetic Activity in Guava Leaves at Different Oxidation States.

    Science.gov (United States)

    Díaz-de-Cerio, Elixabet; Verardo, Vito; Gómez-Caravaca, Ana María; Fernández-Gutiérrez, Alberto; Segura-Carretero, Antonio

    2016-05-11

    Psidium guajava L. is widely used like food and in folk medicine all around the world. Many studies have demonstrated that guava leaves have anti-hyperglycemic and anti-hyperlipidemic activities, among others, and that these activities belong mainly to phenolic compounds, although it is known that phenolic composition in guava tree varies throughout seasonal changes. Andalusia is one of the regions in Europe where guava is grown, thus, the aim of this work was to study the phenolic compounds present in Andalusian guava leaves at different oxidation states (low, medium, and high). The phenolic compounds in guava leaves were determined by HPLC-DAD-ESI-QTOF-MS. The results obtained by chromatographic analysis reported that guava leaves with low degree of oxidation had a higher content of flavonols, gallic, and ellagic derivatives compared to the other two guava leaf samples. Contrary, high oxidation state guava leaves reported the highest content of cyanidin-glucoside that was 2.6 and 15 times higher than guava leaves with medium and low oxidation state, respectively. The QTOF platform permitted the determination of several phenolic compounds with anti-diabetic properties and provided new information about guava leaf phenolic composition that could be useful for nutraceutical production.

  5. Exploratory Characterization of Phenolic Compounds with Demonstrated Anti-Diabetic Activity in Guava Leaves at Different Oxidation States

    Science.gov (United States)

    Díaz-de-Cerio, Elixabet; Verardo, Vito; Gómez-Caravaca, Ana María; Fernández-Gutiérrez, Alberto; Segura-Carretero, Antonio

    2016-01-01

    Psidium guajava L. is widely used like food and in folk medicine all around the world. Many studies have demonstrated that guava leaves have anti-hyperglycemic and anti-hyperlipidemic activities, among others, and that these activities belong mainly to phenolic compounds, although it is known that phenolic composition in guava tree varies throughout seasonal changes. Andalusia is one of the regions in Europe where guava is grown, thus, the aim of this work was to study the phenolic compounds present in Andalusian guava leaves at different oxidation states (low, medium, and high). The phenolic compounds in guava leaves were determined by HPLC-DAD-ESI-QTOF-MS. The results obtained by chromatographic analysis reported that guava leaves with low degree of oxidation had a higher content of flavonols, gallic, and ellagic derivatives compared to the other two guava leaf samples. Contrary, high oxidation state guava leaves reported the highest content of cyanidin-glucoside that was 2.6 and 15 times higher than guava leaves with medium and low oxidation state, respectively. The QTOF platform permitted the determination of several phenolic compounds with anti-diabetic properties and provided new information about guava leaf phenolic composition that could be useful for nutraceutical production. PMID:27187352

  6. Vacuum energy referred Ti3+/4+ donor/acceptor states in insulating and semiconducting inorganic compounds

    International Nuclear Information System (INIS)

    Rogers, E.G.; Dorenbos, P.

    2014-01-01

    Optical spectroscopy data has been collected on the energy needed for electron transfer from the valence band to Ti 4+ in about 40 different insulating and II–VI and III–V semiconducting compounds. It provides a measure for the location of the Ti 3+ 3d 1 ground state level above the valence band. This is combined with the vacuum referred binding energy (VRBE) of valence band electrons as obtained with the chemical shift model based on lanthanide impurity spectroscopy. It provides the VRBE of an electron in the Ti 3+ ground state level. This work will first show that the energy of electron transfer to Ti 4+ is about the same as that to Eu 3+ irrespective of the type of compound. Next it will be shown that the VRBE of the Ti 3+ 3d 1 ground state is always near −4 eV. An approximately ±1 eV spread around that value is attributed to the crystal field splitting of the Ti 3+ 3d-levels. - Highlights: • Data on the energy of charge transfer (CT) to Ti 4+ in 38 compounds was collected. • A correlation between the Ti 4+ and Eu 3+ CT energies has been established. • The chemical shift model has been applied to Ti impurity states. • The Ti 3+ ground state binding energy is always around −4±1 eV

  7. On the formation of molecules and solid-state compounds from the AGB to the PN phases

    Science.gov (United States)

    García-Hernández, D. A.; Manchado, A.

    2016-07-01

    During the asymptoyic giant branch (AGB) phase, different elements are dredge- up to the stellar surface depending on progenitor mass and metallicity. When the mass loss increases at the end of the AGB, a circumstellar dust shell is formed, where different (C-rich or O-rich) molecules and solid-state compounds are formed. These are further processed in the transition phase between AGB stars and planetary nebulae (PNe) to create more complex organic molecules and inorganic solid-state compounds (e.g., polycyclic aromatic hydrocarbons, fullerenes, and graphene precursors in C-rich environments and oxides and crystalline silicates in O-rich ones). We present an observational review of the different molecules and solid-state materials that are formed from the AGB to the PN phases. We focus on the formation routes of complex fullerene (and fullerene-based) molecules as well as on the level of dust processing depending on metallicity.

  8. Photoreceptor Redox State Monitored In Vivo by Transmission and Fluorescence Microspectrophotometry in Blowfly Compound Eyes

    NARCIS (Netherlands)

    Tinbergen, J.; Stavenga, D.G.

    1986-01-01

    The transmission and fluorescence of the compound eye of living, intact blowflies Calliphora erythrocephala, mutant chalky, were studied microspectrophotometrically. Transmission spectra were recorded under four conditions. The fly was either in the normal air environment or in a nitrogen

  9. Modeling phase equilibria of alkanols with the simplified PC-SAFT equation of state and generalized pure compound parameters

    DEFF Research Database (Denmark)

    Grenner, Andreas; Kontogeorgis, Georgios; von Solms, Nicolas

    2007-01-01

    The simplified PC-SAFT equation of state has been applied to liquid-liquid, vapor-liquid and solid-liquid equilibria for mixtures containing 1-or 2-alkanols with alkanes, aromatic hydrocarbons, CO2 and water. For the alkanols we use generalized pure compound parameters. This means that two...... of the physical pure compound parameters, in (segment number) and or (segment diameter), are obtained from linear extrapolations, since m and m sigma(3), increase linearly with respect to the molar mass, and moreover, the two association parameters (association energy and association volume) were assumed...... to be constant for all alkanols. Only the dispersion energy is fitted to experimental data. Thus it is possible to estimate parameters for several 1-and 2-alkanols. The final aim is to develop a group contribution approach for PC-SAFT which is suitable for complex compounds, considering that the motivation...

  10. Resource cost results for one-way entanglement distillation and state merging of compound and arbitrarily varying quantum sources

    International Nuclear Information System (INIS)

    Boche, H.; Janßen, G.

    2014-01-01

    We consider one-way quantum state merging and entanglement distillation under compound and arbitrarily varying source models. Regarding quantum compound sources, where the source is memoryless, but the source state an unknown member of a certain set of density matrices, we continue investigations begun in the work of Bjelaković et al. [“Universal quantum state merging,” J. Math. Phys. 54, 032204 (2013)] and determine the classical as well as entanglement cost of state merging. We further investigate quantum state merging and entanglement distillation protocols for arbitrarily varying quantum sources (AVQS). In the AVQS model, the source state is assumed to vary in an arbitrary manner for each source output due to environmental fluctuations or adversarial manipulation. We determine the one-way entanglement distillation capacity for AVQS, where we invoke the famous robustification and elimination techniques introduced by Ahlswede. Regarding quantum state merging for AVQS we show by example that the robustification and elimination based approach generally leads to suboptimal entanglement as well as classical communication rates

  11. The influence of the magnetic state on the thermal expansion in 1:2 rare earth intermetallic compounds

    International Nuclear Information System (INIS)

    Gratz, E.; Lindbaum, A.

    1994-01-01

    The attempt is made to demonstrate on some selected rare earth intermetallics the influence of the magnetic state on the thermal expansion. Using the X-ray powder diffraction method we investigated the thermal expansion of some selected nonmagnetic compounds (YAl 2 , YNi 2 and YCo 2 ) and some magnetic RE (rare earth) - cobalt compounds (RCo 2 ) in the temperature range from 4 up to 450 K. All these compounds crystallize in the C15-type structure (cubic Laves phase structure). By comparing the nonmagnetic Y-based compounds we could show that there is an enhanced contribution of the 3d electrons to the thermal expansion in YCo 2 . In the magnetic RCo 2 compounds the induced 3d magnetism gives rise to large volume anomalies at the magnetic ordering temperature T c . Below T c there is in addition a distortion of the cubic unit cell due to the interaction of the magnetically ordered RE ions with the anisotropic crystal field.The thermal expansion of the orthorhombic TmCu 2 , GdCu 2 and YCu 2 compounds has also been investigated for comparison. The influence of the crystal field on the thermal expansion in TmCu 2 in the paramagnetic range (TmCu 2 orders magnetically at T N =6.3 K) has been determined by comparing the thermal expansion of the nonmagnetic YCu 2 with that of TmCu 2 . The data thus obtained are compared with a theoretical model. GdCu 2 , for which the influence of the crystal field can be neglected, has been investigated in order to study the influence of the exchange interaction in the magnetically ordered state (below 42 K). ((orig.))

  12. Anthropogenic organic compounds in source water of select community water systems in the United States, 2002-10

    Science.gov (United States)

    Valder, Joshua F.; Delzer, Gregory C.; Kingsbury, James A.; Hopple, Jessica A.; Price, Curtis V.; Bender, David A.

    2014-01-01

    Drinking water delivered by community water systems (CWSs) comes from one or both of two sources: surface water and groundwater. Source water is raw, untreated water used by CWSs and is usually treated before distribution to consumers. Beginning in 2002, the U.S. Geological Survey’s (USGS) National Water-Quality Assessment Program initiated Source Water-Quality Assessments (SWQAs) at select CWSs across the United States, primarily to characterize the occurrence of a large number of anthropogenic organic compounds that are predominantly unregulated by the U.S. Environmental Protection Agency. Source-water samples from CWSs were collected during 2002–10 from 20 surface-water sites (river intakes) and during 2002–09 from 448 groundwater sites (supply wells). River intakes were sampled approximately 16 times during a 1-year sampling period, and supply wells were sampled once. Samples were monitored for 265 anthropogenic organic compounds. An additional 3 herbicides and 16 herbicide degradates were monitored in samples collected from 8 river intakes and 118 supply wells in areas where these compounds likely have been used. Thirty-seven compounds have an established U.S. Environmental Protection Agency (EPA) Maximum Contaminant Level (MCL) for drinking water, 123 have USGS Health-Based Screening Levels (HBSLs), and 29 are included on the EPA Contaminant Candidate List 3. All compounds detected in source water were evaluated both with and without an assessment level and were grouped into 13 categories (hereafter termed as “use groups”) based on their primary use or source. The CWS sites were characterized in a national context using an extract of the EPA Safe Drinking Water Information System to develop spatially derived and system-specific ancillary data. Community water system information is contained in the EPA Public Supply Database, which includes 2,016 active river intakes and 112,099 active supply wells. Ancillary variables including population served

  13. Tuning the Colors of the Dark Isomers of Photochromic Boron Compounds with Fluoride Ions: Four-State Color Switching.

    Science.gov (United States)

    Mellerup, Soren K; Rao, Ying-Li; Amarne, Hazem; Wang, Suning

    2016-09-02

    Combining a three-coordinated boron (BMes2) moiety with a four-coordinated photochromic organoboron unit leads to a series of new diboron compounds that undergo four-state reversible color switching in response to stimuli of light, heat, and fluoride ions. Thus, these hybrid diboron systems allow both convenient color tuning/switching of such photochromic systems, as well as visual fluoride sensing by color or fluorescent emission color change.

  14. A steady-state study on the formation of Compounds II and III of myeloperoxidase

    NARCIS (Netherlands)

    Hoogland, H.; Dekker, H. L.; van Riel, C.; van Kuilenburg, A.; Muijsers, A. O.; Wever, R.

    1988-01-01

    The reaction between native myeloperoxidase and hydrogen peroxide, yielding Compound II, was investigated using the stopped-flow technique. The pH dependence of the apparent second-order rate constant showed the existence of a protonatable group on the enzyme with a pKa of 4.9. This group is

  15. Mechanism of forming interfacial intermetallic compounds at interface for solid state diffusion bonding of dissimilar materials

    International Nuclear Information System (INIS)

    He, P.; Liu, D.

    2006-01-01

    The formation of brittle intermetallic compounds at the interfaces of diffusion bonds is the main cause which leads to poor bond strength. Therefore, it is very important to study and establish the formation and growth model of intermetallic compounds at the interfaces for the control process of diffusion bonding. In this paper, according to the diffusion kinetics and the thermodynamics, the principle of formation of intermetallic compounds at interfaces in the multi-component diffusion couple, the flux-energy principle, is put forward. In the light of diffusion theory, the formation capacity of the phase at the interfaces is determined by specific properties of the composition in the diffusion couple and the composition ratio of the formed phase is in agreement with the diffusion flux. In accordance with the flux-energy principle, the microstructure of the Ni/TC4 interface is Ni/TiNi 3 /TiNi/Ti 2 Ni/TC4, the microstructure of the TC4/00Cr18Ni9Ti interface is 00Cr18Ni9Ti/TiFe 2 /TiFe/Ti 2 Fe/TC4, and the microstructure of the TiAl/40Cr interface is 40Cr/TiC/Ti 3 Al + FeAl + FeAl 2 /TiAl. Multi-intermetallic compounds with the equivalent flux-energy can be formed at the interfaces at the same time

  16. Current emission trends for nitrogen oxides, sulfur dioxide, and volatile organic compounds by month and state: Methodology and results

    International Nuclear Information System (INIS)

    Kohout, E.J.; Miller, D.J.; Nieves, L.A.; Rothman, D.S.; Saricks, C.L.; Stodolsky, F.; Hanson, D.A.

    1990-08-01

    This report presents estimates of monthly sulfur dioxide (SO 2 ), nitrogen oxides (NO x ), and nonmethane voltatile organic compound (VOC) emissions by sector, region, and state in the contiguous United States for the years 1975 through 1988. This work has been funded as part of the National Acid Precipitation Assessment Program's Emissions and Controls Task Group by the US Department of Energy (DOE) Office of Fossil Energy (FE). The DOE project officer is Edward C. Trexler, DOE/FE Office of Planning and Environment

  17. Solid-state studies and antioxidant properties of the γ-cyclodextrin·fisetin inclusion compound.

    Science.gov (United States)

    Pais, Joana M; Barroca, Maria João; Marques, Maria Paula M; Almeida Paz, Filipe A; Braga, Susana S

    2017-01-01

    Fisetin is a natural antioxidant with a wide range of nutraceutical properties, including antidiabetic, neuroprotecting, and suppression or prevention of tumors. The present work describes the preparation of a water-soluble, solid inclusion compound of fisetin with gamma-cyclodextrin (γ-CD), a cyclic oligosaccharide approved for human consumption. A detailed physicochemical analysis of the product is carried out using elemental analysis, powder X-ray diffraction (PXRD), Raman, infrared and 13 C{ 1 H} CP-MAS NMR spectroscopies, and thermal analysis (TGA) to verify fisetin inclusion and to present a hypothetical structural arrangement for the host-guest units. The antioxidant activity of the γ-CD·fisetin inclusion compound is evaluated by the DPPH assay.

  18. Solid-state studies and antioxidant properties of the γ-cyclodextrin·fisetin inclusion compound

    Directory of Open Access Journals (Sweden)

    Joana M. Pais

    2017-10-01

    Full Text Available Fisetin is a natural antioxidant with a wide range of nutraceutical properties, including antidiabetic, neuroprotecting, and suppression or prevention of tumors. The present work describes the preparation of a water-soluble, solid inclusion compound of fisetin with gamma-cyclodextrin (γ-CD, a cyclic oligosaccharide approved for human consumption. A detailed physicochemical analysis of the product is carried out using elemental analysis, powder X-ray diffraction (PXRD, Raman, infrared and 13C{1H} CP-MAS NMR spectroscopies, and thermal analysis (TGA to verify fisetin inclusion and to present a hypothetical structural arrangement for the host–guest units. The antioxidant activity of the γ-CD·fisetin inclusion compound is evaluated by the DPPH assay.

  19. The Transition Metal-Like Reactivity of Low Oxidation State s- and p-Block Compounds

    Science.gov (United States)

    2017-10-20

    suggestions for reducing the burden, to Department of Defense, Executive Services, Directorate (0704-0188).   Respondents should be aware that...amide ligands. These compounds were used as reagents for catalytic transformation of small molecules. The PI was able to publish 19 papers in...Significant Collaborations that resulted from your AOARD supported project (see attachments): a) papers published in, or submitted to, peer-reviewed

  20. Solid-state quantum chemistry and materials science: Solid compounds of the d and f elements

    International Nuclear Information System (INIS)

    Gubanov, V.A.

    1989-01-01

    Methods have been developed for calculating electron structures for solid compounds of d and f elements and for simulating physicochemical properties of materials based on them. Cluster and band calculations are considered for refractory compounds of d metals formed with light elements. There are bond and property regularities in doping by meals and metalloids, and defects and impurities have certain effects, where studies have been made on the electron structures for disordered phases and solid solutions in relation to sublattice compositions. Quantum-chemical simulation methods have been developed for optically active and fluorescent materials based on d and f metal oxides, fluorides, and chalcogenides, and compositions have been proposed for new optically active composites and protective coatings. New approaches have been defined to the magnetic parameters of metals, alloys, and compounds; these can be applied in simulating new magnetic materials. Calculations are given on energy spectra for high-temperature oxide superconductors. There is interesting scope for quantum-chemical methods in application to many topics in materials science

  1. Content of redox-active compounds (ie, antioxidants) in foods consumed in the United States.

    Science.gov (United States)

    Halvorsen, Bente L; Carlsen, Monica H; Phillips, Katherine M; Bøhn, Siv K; Holte, Kari; Jacobs, David R; Blomhoff, Rune

    2006-07-01

    Supplements containing ascorbic acid, alpha-tocopherol, or beta-carotene do not protect against oxidative stress-related diseases in most randomized intervention trials. We suggest that other redox-active phytochemicals may be more effective and that a combination of different redox-active compounds (ie, antioxidants or reductants) may be needed for proper protection against oxidative damage. We aimed to generate a ranked food table with values for total content of redox-active compounds to test this alternative antioxidant hypothesis. An assay that measures the total concentration of redox-active compounds above a certain cutoff reduction potential was used to analyze 1113 food samples obtained from the US Department of Agriculture National Food and Nutrient Analysis Program. Large variations in the content of antioxidants were observed in different foods and food categories. The food groups spices and herbs, nuts and seeds, berries, and fruit and vegetables all contained foods with very high antioxidant contents. Most food categories also contained products almost devoid of antioxidants. Of the 50 food products highest in antioxidant concentrations, 13 were spices, 8 were in the fruit and vegetables category, 5 were berries, 5 were chocolate-based, 5 were breakfast cereals, and 4 were nuts or seeds. On the basis of typical serving sizes, blackberries, walnuts, strawberries, artichokes, cranberries, brewed coffee, raspberries, pecans, blueberries, ground cloves, grape juice, and unsweetened baking chocolate were at the top of the ranked list. This ranked antioxidant food table provides a useful tool for investigations into the possible health benefit of dietary antioxidants.

  2. Dirac cone and pseudogapped density of states in the topological half-Heusler compound YPtBi

    Science.gov (United States)

    Kronenberg, A.; Braun, J.; Minár, J.; Elmers, H.-J.; Kutnyakhov, D.; Zaporozhchenko, A. V.; Wallauer, R.; Chernov, S.; Medjanik, K.; Schönhense, G.; Kläui, M.; Chadov, S.; Ebert, H.; Jourdan, M.

    2016-10-01

    Topological insulators (TIs) are exciting materials, which exhibit unprecedented properties, such as helical spin-momentum locking, which leads to large torques for magnetic switching and highly efficient spin current detection. Here we explore the compound YPtBi, an example from the class of half-Heusler materials, for which the typical band inversion of topological insulators was predicted. We prepared this material as thin films by conventional cosputtering from elementary targets. By in situ time-of-flight momentum microscopy, a Dirac conelike surface state with a Dirac point ≃300 meV below the Fermi energy was observed, in agreement with electronic structure-photoemission calculations. Only little additional spectral weight due to other states was observed at EF, which corroborates the identification of the topologically protected surface state and is highly relevant for spintronics applications.

  3. Encapsulation of Active Compounds in Fruit and Vegetable Juice Processing: Current State and Perspectives.

    Science.gov (United States)

    Speranza, Barbara; Petruzzi, Leonardo; Bevilacqua, Antonio; Gallo, Mariangela; Campaniello, Daniela; Sinigaglia, Milena; Corbo, Maria Rosaria

    2017-06-01

    The production of value-added and/or functional juices has increased significantly in recent years, following an increased consumer demand to promote health and/or prevent disease through diet and nutrition. Micro and nano-encapsulation are promising technologies to protect and deliver sensitive compounds, allowing a controlled release in the target sites. This paper offers an overview of current applications, limits and challenges of encapsulation technologies in the production of fruit and vegetable juices, with a particular emphasis on products derived from different botanical sources. © 2017 Institute of Food Technologists®.

  4. Microscopic origin of resistance drift in the amorphous state of the phase-change compound GeTe

    Science.gov (United States)

    Gabardi, S.; Caravati, S.; Sosso, G. C.; Behler, J.; Bernasconi, M.

    2015-08-01

    Aging is a common feature of the glassy state. In the case of phase-change chalcogenide alloys the aging of the amorphous state is responsible for an increase of the electrical resistance with time. This phenomenon called drift is detrimental in the application of these materials in phase-change nonvolatile memories, which are emerging as promising candidates for storage class memories. By means of combined molecular dynamics and electronic structure calculations based on density functional theory, we have unraveled the atomistic origin of the resistance drift in the prototypical phase-change compound GeTe. The drift results from a widening of the band gap and a reduction of Urbach tails due to structural relaxations leading to the removal of chains of Ge-Ge homopolar bonds. The same structural features are actually responsible for the high mobility above the glass transition which boosts the crystallization speed exploited in the device.

  5. Fluctuation effects on average cross sections in compound, direct and doorway state resonance reactions

    International Nuclear Information System (INIS)

    Moldauer, P.A.

    1979-01-01

    The main features of the effects of S-matrix flucturations on average cross sections are reviewed with emphasis on recent developments on the enhancement of small cross sections and cross sections between directly coupled channels. Examples are given in which the effect can distort the shape of a doorway state resonance so as to reduce its observed width. 4 figures

  6. High-Resolution Solid-State NMR Spectroscopy: Characterization of Polymorphism in Cimetidine, a Pharmaceutical Compound

    Science.gov (United States)

    Pacilio, Julia E.; Tokarski, John T.; Quiñones, Rosalynn; Iuliucci, Robbie J.

    2014-01-01

    High-resolution solid-state NMR (SSNMR) spectroscopy has many advantages as a tool to characterize solid-phase material that finds applications in polymer chemistry, nanotechnology, materials science, biomolecular structure determination, and others, including the pharmaceutical industry. The technology associated with achieving high resolution…

  7. Implementing United States Pharmacopeia Chapter quality assurance in pharmaceutical compounding, Part 5: Outsourcing and responsible personnel.

    Science.gov (United States)

    Allen, Loyd V

    2012-01-01

    This final installment of a five-part series relating to United States Pharmacopeia Chapter provides the pros and cons of outsourcing, an extremely important topic because of the many drug shortages and discontinued drugs being experienced, and provides a brief discussion of the importance of having a responsible employee in charge of the quality-assurance program.

  8. The phenomenon of nucleon emission at high angular momentum states of fused compound systems

    CERN Document Server

    Rajasekaran, T R; Santhosh-Kumar, S

    2003-01-01

    Nucleon emission from high spin fused compound systems is analyzed in the framework of the statistical theory of hot rotating (STHR) nuclei. This is an elaborate version of our earlier work and we present our results for sup 1 sup 5 sup 6 Er, sup 1 sup 6 sup 6 Er, sup 1 sup 6 sup 8 Yb and sup 1 sup 8 sup 8 Hg. We predict an increase in neutron emission for sup 1 sup 6 sup 6 Er due to the abrupt decrease in neutron separation energy around I approx 55h. Since the drop in the separation energy is closely associated with the structural changes in the rotating nuclei, relative increase in neutron emission probability around certain values of angular momentum may be construed as evidence for the shape transition. A similar effect is predicted for sup 1 sup 6 sup 8 Yb around I approx 55h. We also extend the microscopic cranked Nilsson method (CNM) to hot nuclear systems and compare the results with that of the STHR method. The two methods yield different results for triaxially deformed nuclei although for biaxial d...

  9. Analysis of solid-state transformations of pharmaceutical compounds using vibrational spectroscopy

    DEFF Research Database (Denmark)

    Heinz, Andrea; Strachan, Clare J; Gordon, Keith C

    2009-01-01

    OBJECTIVES: Solid-state transformations may occur during any stage of pharmaceutical processing and upon storage of a solid dosage form. Early detection and quantification of these transformations during the manufacture of solid dosage forms is important since the physical form of an active...... pharmaceutical ingredient can significantly influence its processing behaviour, including powder flow and compressibility, and biopharmaceutical properties such as solubility, dissolution rate and bioavailability. KEY FINDINGS: Vibrational spectroscopic techniques such as infrared, near-infrared, Raman and, most...... multivariate approaches where even overlapping spectral bands can be analysed. SUMMARY: This review discusses the applications of different vibrational spectroscopic techniques to detect and monitor solid-state transformations possible for crystalline polymorphs, hydrates and amorphous forms of pharmaceutical...

  10. Ground state of the U{sub 2}Mo compound: Physical properties of the Ω-phase

    Energy Technology Data Exchange (ETDEWEB)

    Losada, E.L. [SIM3, Centro Atómico Bariloche, Comisión Nacional de Energía Atómica (Argentina); Garcés, J.E., E-mail: garces@cab.cnea.gov.ar [GIA, Centro Atómico Bariloche, Comisión Nacional de Energía Atómica (Argentina)

    2016-10-15

    Using ab initio calculations, unexpected structural instability was recently found in the ground state of the U{sub 2} Mo compound. Instead of the unstable I4/mmm and the Pmmn structures, in this work the P6/mmm (#191) space group, usually called Ω-phase, is proposed as the fundamental state. Total energy calculations using Wien2k code slightly favoured the last structure. Electronic and elastic properties are studied in this work in order to characterize the physical properties of this new phase. The stability of the Ω-phase is studied by means of its elastic constants calculation and phonon dispersion spectrum. Analysis of isotropic indices shows that the new phase is a ductile material with a minimal degree of anisotropy, suggesting that U{sub 2} Mo in the P6/mmm structure is an elastic isotropic material. Analysis of charge density, density of electronic states (DOS) and the character of the bands revealed a high level of hybridization between d-molybdenum electronic states and d- and f-uranium ones.

  11. Possible bicollinear nematic state with monoclinic lattice distortions in iron telluride compounds

    Energy Technology Data Exchange (ETDEWEB)

    Bishop, Christopher B. [Univ. of Tennessee, Knoxville, TN (United States); Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Herbrych, Jacek W. [Univ. of Tennessee, Knoxville, TN (United States); Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Dagotto, Elbio R. [Univ. of Tennessee, Knoxville, TN (United States); Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Moreo, Adriana [Univ. of Tennessee, Knoxville, TN (United States); Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)

    2017-07-15

    Here, iron telluride (FeTe) is known to display bicollinear magnetic order at low temperatures together with a monoclinic lattice distortion. Because the bicollinear order can involve two different wave vectors (π/2,π/2) and (π/2,–π/2), symmetry considerations allow for the possible stabilization of a nematic state with short-range bicollinear order coupled to monoclinic lattice distortions at a TS higher than the temperature TN where long-range bicollinear order fully develops. As a concrete example, the three-orbital spin-fermion model for iron telluride is studied with an additional coupling ˜λ12 between the monoclinic lattice strain and an orbital-nematic order parameter with B2g symmetry. Monte Carlo simulations show that with increasing ˜λ12 the first-order transition characteristic of FeTe splits and bicollinear nematicity is stabilized in a (narrow) temperature range. In this new regime, the lattice is monoclinically distorted and short-range spin and orbital order breaks rotational invariance. A discussion of possible realizations of this exotic state is provided.

  12. Occurrence and in vitro bioactivity of estrogen, androgen, and glucocorticoid compounds in a nationwide screen of United States stream waters

    Science.gov (United States)

    Conley, Justin M.; Evans, Nicola; Cardon, Mary C.; Rosenblum, Laura; Iwanowicz, Luke; Hartig, Phillip C.; Schenck, Kathleen M.; Bradley, Paul M.; Wilson, Vickie S.

    2017-01-01

    In vitro bioassays are sensitive, effect-based tools used to quantitatively screen for chemicals with nuclear receptor activity in environmental samples. We measured in vitro estrogen (ER), androgen (AR), and glucocorticoid receptor (GR) activity, along with a broad suite of chemical analytes, in streamwater from 35 well-characterized sites (3 reference and 32 impacted) across 24 states and Puerto Rico. ER agonism was the most frequently detected with nearly all sites (34/35) displaying activity (range, 0.054–116 ng E2Eq L–1). There was a strong linear relationship (r2 = 0.917) between in vitro ER activity and concentrations of steroidal estrogens after correcting for the in vitro potency of each compound. AR agonism was detected in 5/35 samples (range, 1.6–4.8 ng DHTEq L–1) but concentrations of androgenic compounds were largely unable to account for the in vitro activity. Similarly, GR agonism was detected in 9/35 samples (range, 6.0–43 ng DexEq L–1); however, none of the recognized GR-active compounds on the target-chemical analyte list were detected. The utility of in vitro assays in water quality monitoring was evident from both the quantitative agreement between ER activity and estrogen concentrations, as well as the detection of AR and GR activity for which there were limited or no corresponding target-chemical detections to explain the bioactivity. Incorporation of in vitro bioassays as complements to chemical analyses in standard water quality monitoring efforts would allow for more complete assessment of the chemical mixtures present in many surface waters.

  13. Gamma decay of the compound state and change of structure of the 124Te excited levels

    International Nuclear Information System (INIS)

    Sukhovoj, A.M.; Khitrov, V.A.

    2008-01-01

    Independent analysis of a large amount of data on the spectrum of gamma rays of the radiative capture of thermal neutrons in 123 Te (Σ(i γ E γ )/B n = 0.49) obtained in Rez made it possible to obtain new and reliable information on the dependence of sums of radiative strength functions of dipole gamma transitions on the energy of levels excited by them. These data, as does the level density in 124 Te, demonstrate a strong change of structure of the nucleus practically for the whole region of the levels excited by a captured neutron. As in the earlier studied nuclei (using data on the intensities of two-step cascades), it is possible to reproduce the stated parameters of the gamma-decay process to the accuracy of experiment only by the models directly taking into account the coexistence and interaction of the usual and superfluid component of the nuclear matter

  14. Increase of content and bioactivity of total phenolic compounds from spent coffee grounds through solid state fermentation by Bacillus clausii.

    Science.gov (United States)

    Rochín-Medina, Jesús J; Ramírez, Karina; Rangel-Peraza, Jesús G; Bustos-Terrones, Yaneth A

    2018-03-01

    Spent coffee grounds are waste material generated during coffee beverage preparation. This by-product disposal causes a negative environmental impact, in addition to the loss of a rich source of nutrients and bioactive compounds. A rotating central composition design was used to determine the optimal conditions for the bioactivity of phenolic compounds obtained after the solid state fermentation of spent coffee grounds by Bacillus clausii . To achieve this, temperature and fermentation time were varied according to the experimental design and the total phenolic and flavonoid content, antioxidant activity and antimicrobial activity were determined. Surface response methodology showed that optimum bioprocessing conditions were a temperature of 37 °C and a fermentation time of 39 h. Under these conditions, total phenolic and flavonoid contents increased by 36 and 13%, respectively, in fermented extracts as compared to non-fermented. In addition, the antioxidant activity was increased by 15% and higher antimicrobial activity was observed against Gram positive and negative bacteria. These data demonstrated that bioprocessing optimization of spent coffee grounds using the surface response methodology was an important tool to improve phenolic extraction, which could be used as an antioxidant and antimicrobial agents incorporated into different types of food products.

  15. ELECTRICAL RESISTIVITY AND SEEBECK COEFFICIENT IN Ca(LaMnO COMPOUNDS PREPARED BY SOLID STATE REACTION METHOD

    Directory of Open Access Journals (Sweden)

    Jorge I. Villa

    2017-01-01

    Full Text Available By using the solid state reaction method samples of  Ca1-xLaxMnO3 (0 ≤ x ≥ 0.15 were prepared. Their transport properties were studied by electrical resistivity rho(T and Seebeck coefficient S(T measurements as a function of temperature and lanthanum content, in the temperature range between 100 and 290K. The structural and morphological properties were studied by X-ray diffraction analysis (XRD and scanning electron microscopy (SEM, respectively. The Seebeck coefficient is negative throughout the studied temperature range indicating a conduction given by negative charge carriers, its magnitude decreases with the lanthanum content from |-261| mV/K to |-120| mV/K. The electrical resistivity shows a semiconducting behavior, it was interpreted in terms of small polaron hopping model. Thermoelectric properties of the obtained compounds were studied by the thermoelectric power factor PF, which reaches maximum values around 2mW/K2cm, these values become this kind of ceramics promising thermoelectric compound, to be used in technological applications.

  16. A study to evaluate the levels of dioxin-like compounds in dairy feeds in the United States

    Energy Technology Data Exchange (ETDEWEB)

    Lorber, M.; Ferrario, J.; Byrne, C. [United States Environmental Protection Agency, WA, DC (United States); Greene, C.; Cyrus, A. [Versar, Inc., Springfield, VA (United States)

    2004-09-15

    The primary route for general population exposure to dioxin-like compounds is through the consumption of animal fats, with bovine-derived meat, milk and dairy products comprising over 50% of total exposure in the United States. The primary route of exposure hypothesized for cattle is airborne deposition of dioxins onto the leaves of feed crops. Over the last few years additional pathways of exposure have been identified associated with contaminated feed additives such as ball clay, mineral supplements, and animal byproducts. Studies by the United States Department of Agriculture (USDA) have shown that incidental contact with pentachlorophenol (PCP)-treated wood by cattle have resulted in elevated tissue levels. Although the air-to-leaf pathway is still considered by most researchers to be the dominant pathway of exposure, the lack of any systematic examination of animal feeds to quantify the contribution of the air-to-leaf pathway has been a major gap in our empirical understanding of dioxin exposure. The Environmental Protection Agency (EPA), in cooperation with USDA and the US Food and Drug Administration (FDA), has undertaken a program to study the presence of dioxin-like compounds in animal feeds. Two phases of this program have been completed, and this paper reports on the third phase. The first phase was a study on the mass balance of dioxins in lactating cows. The objective of that study was to quantify the role feeds play in total dairy cow exposure. The second phase of the program involved the collection and measurement of dioxins in minor feed components. Dioxins in specific targeted animal feed components of interest, including animal byproducts (beef, pork, poultry by-products, fish meal) and plant byproducts (deodorizer distillates from corn, soybean, peanut, cottonseed, and canola processers; cane and beet molasses), were measured. The third phase of the project, reported here, involved component sampling of dairy feeds around the US.

  17. Magnetocaloric effect of polycrystalline Sm0.5Ca0.5MnO3 compound: Investigation of low temperature magnetic state

    Science.gov (United States)

    Das, Kalipada; Banu, Nasrin; Das, I.; Dev, B. N.

    2018-06-01

    An attempt has been made to probe low temperature magnetic state of the polycrystalline Sm0.5Ca0.5MnO3 compound via magnetization and magnetocaloric studies. In the context of the earlier debatable reports on the above mentioned compound between the existence of glassy magnetic state and small ferromagnetic domains from the 'ac' susceptibility measurements, our experimental observation from magnetocaloric effect study clearly indicates the existence of ferromagnetic droplets along with certain amount of superparamagnetic component at low temperature (magnetization (even at H = 0.01 T) data do not exhibit the spin freezing nature at the low temperature which is almost a generic tendency of glassy magnetic state. Our study also highlights the competence of magnetocaloric effect as a tool to distinguish between different magnetic states of a compound.

  18. Effect of solid-state fermentation with Rhizopus oligosporus on bioactive compounds and antioxidant capacity of raw and roasted buckwheat groats

    Directory of Open Access Journals (Sweden)

    Wronkowska Małgorzata

    2015-12-01

    Full Text Available The effect of solid-state fermentation with Rhizopus oligosporus on the changes in the total phenolic compounds, rutin, vitamin B and C, tocopherol, phytic acid and antioxidant capacity of raw and roasted buckwheat groats was studied. The roasted groats contained reduced level of studied bioactive compounds as compared to raw groats. In this study was evidenced that the solidstate fermentation with Rhizopus oligosporus enhanced water soluble vitamins (thiamine, pyridoxine and L-ascorbic acid as well as tocopherols contents. In contrast the decrease of the inositol hexaphosphate, phenolic compounds, the rutin content and antioxidant capacity determined by ACL and ABTS methods was noticed.

  19. Ab-initio investigation of structural, electronic and optical properties BSb compound in bulk and surface (110 states

    Directory of Open Access Journals (Sweden)

    H A Badehian

    2015-07-01

    Full Text Available In recent work the structural, electronic and optical properties of BSb compound in bulk and surface (110 states have been studied. Calculations have been performed using Full-Potential Augmented Plane Wave (FP-LAPW method by WIEN2k code in Density Functional Theory (DFT framework. The structural properties of the bulk such as lattice constant, bulk module and elastic constants have been investigated using four different approximations. The band gap energy of the bulk and the (110 surface of BSb were obtained about 1.082 and 0.38 eV respectively. Moreover the surface energy, the work function, the surface relaxation, surface state and the band structure of BSb (110 were investigated using symmetric and stoichiometric 15 layers slabs with the vacuum of 20 Bohr. In addition, the real and imaginary parts of the dielectric function of the bulk and the BSb (110 slab were calculated and compared to each other. Our obtained results have a good agreement with the available results.

  20. Peculiarities of the intermediate valence state of Ce in CeM2Si2 (M = Fe, Co, Ni) compounds

    International Nuclear Information System (INIS)

    Koterlyn, M.; Shcherba, I.; Yasnitskii, R.; Koterlyn, G.

    2007-01-01

    The results of thermoelectric power and the electrical resistivity measurements connected with the intermediate valence (IV) of Ce are presented for the compounds CeM 2 Si 2 (M = Fe, Co, Ni) in the temperature range of 4-800 K. It is shown that CeM 2 Si 2 are Kondo-lattices with the coherence scale T coh ∼ 60-80 K and the so-called single-site Kondo temperature T K ∼ 10 3 K. On the example of CeNi 2 Si 2 we have studied the changes in the structure of density of f states (f-DOS) near the Fermi energy caused by atomic substitutions. The results of structural, transport, magnetic, and Ce L III X-ray absorption spectra measurements in the series Ce 1-x La x Ni 2 Si 2 (0 ≤ x ≤ 0.6), Ce(Ni 1-y Cu y ) 2 Si 2 (0 ≤ y ≤ 0.6) and CeNi 2 (Si 1-z Ge z ) 2 (0 ≤ z ≤ 0.5) are presented. We found that the IV state of Ce in the CeM 2 Si 2 is an evidence of possible opening a wide pseudogap Δ ∼ kT K within the f-DOS structure slightly above the Fermi energy

  1. Nature of the magnetic ground state in the mixed valence compound CeRuSn: a single-crystal study

    International Nuclear Information System (INIS)

    Fikáček, J; Prokleška, J; Prchal, J; Custers, J; Sechovský, V

    2013-01-01

    We report on detailed low-temperature measurements of the magnetization, the specific heat and the electrical resistivity on high-quality CeRuSn single crystals. The compound orders antiferromagnetically at T N = 2.8 K with the Ce 3+ ions locked within the a–c plane of the monoclinic structure. Magnetization shows that below T N CeRuSn undergoes a metamagnetic transition when applying a magnetic field of 1.5 and 0.8 T along the a- and c-axis, respectively. This transition manifests in a tremendous negative jump of ∼25% in the magnetoresistance. The value of the saturated magnetization along the easy magnetization direction (c-axis) and the magnetic entropy above T N derived from specific heat data correspond to the scenario of only one third of the Ce ions in the compound being trivalent and carrying a stable Ce 3+ magnetic moment, whereas the other two thirds of the Ce ions are in a nonmagnetic tetravalent and/or mixed valence state. This is consistent with the low-temperature CeRuSn crystal structure i.e., a superstructure consisting of three unit cells of the CeCoAl type piled up along the c-axis, and in which the Ce 3+ ions are characterized by large distances from the Ru ligands while the Ce–Ru distances of the other Ce ions are much shorter causing a strong 4f-ligand hybridization and hence leading to tetravalent and/or mixed valence Ce ions. (paper)

  2. The possibility of the mixed valence state in the uranium intermetallic compounds: UCoGa5, U2Ru2Sn and U2RuGa8

    International Nuclear Information System (INIS)

    Troc, Robert

    2007-01-01

    The mixed valence (MV) phenomenon has been observed so far in a large number of various compounds but containing only lanthanides. These properties are usually associated with the mixing of the localised f-state and the band states. The usual valence state for magnetic uranium intermetallics is the trivalent state 5f 3 or hybridised 5f 2 6d 1 , both are nearly degenerate in energy and can compete for a stability of the compound. In some cases a gain in an energy minimum may be achieved by very fast fluctuating between these two states with a time of 10 -14 s, which does not allow to yield the ordered state even if the exchange interactions (favourite the U-U distances) would be able for that. The latter cases seem to concern the described here intermetallics: one ternary compound based on Co, UCoGa 5 , and the two uranium ternary compounds based on Ru, namely U 2 Ru 2 Sn and U 2 RuGa 8 which all crystallize in a tetragonal unit cell. All these compounds show a maximum in their temperature dependences of the magnetic susceptibility measured along and perpendicular to the c-axis. Such a behaviour, which is reminiscent of a number of Ce (Sm, Eu) and Yb compounds for which χ(T) has in the past been considered by Sales and Wohlleben (SW) by applying their ICF model or by Lawrance et al. following their scaling procedure. It turned out that these phenomenological models can also be applied to the considered here two Ru-based uranium ternaries from which some reliable energy parameters could be found. In order to further support the mixing valence scenario for the first such cases in uranium compounds presented here, the transport and thermodynamic properties are also discussed. However, some of the most important results confirming the MV state, e.g., in U 2 RuGa 8 , has recently been achieved from the inelastic neutron scattering performed in the Rutherford Appleton Laboratory on the ISIS facility. From these measurements a characteristic gap of 60 meV has been

  3. Quantitative determination of solid-state forms of a pharmaceutical development compound in drug substance and tablets.

    Science.gov (United States)

    Xie, Yong; Tao, Wenle; Morrison, Henry; Chiu, Rick; Jona, Janan; Fang, Jan; Cauchon, Nina

    2008-10-01

    Common analytical techniques including Raman, NIR, and XRD were evaluated for quantitative determination of three solid-state forms (amorphous, Form B and Form C) of a development compound. Raman spectroscopy was selected as the primary analytical technique with sufficient sensitivity to monitor and quantify the neat drug substance alone and in the drug product. A reliable multivariate curve resolution (MCR) method based on the second derivative Raman measurements of the three pure physical forms was developed and validated with 3.5% root mean square error of prediction (RMSEP) for Form B, which was selected as the preferred form for further development. A partial least squares (PLS) algorithm was also used for the multivariate calibration of both the NIR and Raman measurements. The long-term stability of Form B as a neat active pharmaceutical ingredient (API) and in a tablet formulation was quantitatively monitored under various stress conditions of temperature and moisture. Moisture, temperature, excipients and compression were found to have significant effects on the phase transition behavior of Form B.

  4. Factors associated with sources, transport, and fate of volatile organic compounds and their mixtures in aquifers of the United States

    Science.gov (United States)

    Squillace, P.J.; Moran, M.J.

    2007-01-01

    Factors associated with sources, transport, and fate of volatile organic compounds (VOCs) in groundwater from aquifers throughout the United States were evaluated using statistical methods. Samples were collected from 1631 wells throughout the conterminous United States between 1996 and 2002 as part of the National Water-Quality Assessment (NAWQA) Program of the U.S. Geological Survey. Water samples from wells completed in aquifers used to supply drinking water were analyzed for more than 50 VOCs. Wells were primarily rural domestic water supplies (1184), followed by public water supplies (216); the remaining wells (231) supplied a variety of uses. The median well depth was 50 meters. Age-date information shows that about 60% of the samples had a fraction of water recharged after 1953. Chloroform, toluene, 1,2,4-trimethylbenzene, and perchloroethene were some of the frequently detected VOCs. Concentrations generally were less than 1 ??g/L. Source factors include, in order of importance, general land-use activity, septic/sewer density, and sites where large concentrations of VOCs are potentially released, such as leaking underground storage tanks. About 10% of all samples had VOC mixtures that were associated with concentrated sources; 20% were associated with dispersed sources. Important transport factors included well/screen depth, precipitation/groundwater recharge, air temperature, and various soil characteristics. Dissolved oxygen was strongly associated with VOCs and represents the fate of many VOCs in groundwater. Well type (domestic or public water supply) was also an important explanatory factor. Results of multiple analyses show the importance of (1) accounting for both dispersed and concentrated sources of VOCs, (2) measuring dissolved oxygen when sampling wells to help explain the fate of VOCs, and (3) limiting the type of wells sampled in monitoring networks to avoid unnecessary variance in the data, or controlling for this variance during data analysis.

  5. Dynamic modeling of a solar ORC with compound parabolic collectors: Annual production and comparison with steady-state simulation

    International Nuclear Information System (INIS)

    Baccioli, A.; Antonelli, M.; Desideri, U.

    2017-01-01

    Highlights: • A small scale solar ORC was investigated during a year-long simulation. • The system was operated without a thermal storage. • High flexibility thanks to a sliding-velocity control and volumetric expander. • Influence of ORC and solar field parameters considered. • Strong influence of concentration factor and system inertia. - Abstract: In this paper the dynamic behavior of a small low-concentration solar plant with static Compound Parabolic Collectors (CPC) and an ORC power unit with rotary volumetric expander has been analyzed. The plant has been simulated in transient conditions for a year-long operation and for three different sites respectively located in northern, central and southern Italy, in order to evaluate the influence of the latitude on the production. Hourly discretized data for solar radiation and for ambient temperature have been used. The adoption of a sliding-velocity control strategy, has allowed to operate without any storage system with a solar multiple (S.M.) of 1, reducing the amplitude of the solar field and simplifying the control system. Different collectors tilt angles and concentration factors, as well as thermodynamic parameters of the cycle have been tested, to evaluate the optimal working conditions for each locality. Results highlighted that specific production increased with the concentration ratio, and with the decrease of latitude. The comparison with the steady-state analysis showed that this type of control strategy is suited for those configurations having a smaller number of collectors, since the thermal inertia of the solar field is not recovered at all during the plant shut-down phase.

  6. Characterization of Compounds with Tumor-Cell Proliferation Inhibition Activity from Mushroom (Phellinus baumii) Mycelia Produced by Solid-State Fermentation.

    Science.gov (United States)

    Zhang, Henan; Shao, Qian; Wang, Wenhan; Zhang, Jingsong; Zhang, Zhong; Liu, Yanfang; Yang, Yan

    2017-04-27

    The inhibition of tumor-cell proliferationbyan organicsolvent extract from the solid-state fermentation of Phellinus baumii mycelia inoculated in rice medium was investigated in vitro. The active compounds inhibiting tumor-cell proliferation were characterized. Results revealed that all (petroleum ether, chloroform, ethyl acetate, and butanol) fractions inhibited tumor-cell proliferation in a dose-dependent fashion. The ethyl acetate extract had the highest inhibitory effecton tumor-cell proliferation, and the butanol fraction had the lowest. Six compounds were isolated and purified from the ethyl acetate extract of P. baumii mycelia by the tandem application of silica-gel column chromatography (SGCC), high-speed countercurrent chromatography (HSCCC), and preparative HPLC. These compounds were identified by NMR and electrospray ionization-mass spectrometry (ESI-MS) spectroscopic methods as ergosterol (RF1), ergosta-7,22-dien-3β-yl pentadecanoate (RF3), 3,4-dihydroxy benzaldehyde(RF6), inoscavinA (RF7), baicalein(RF10), and 24-ethylcholesta-5,22-dien-3β-ol (RF13). To further clarify the activity of these compounds, the cell-proliferation-inhibition tests of these compounds on various tumor cells were carried out and evaluatedin vitro. Results suggested that compounds RF6, RF7, and RF10 had potent inhibition effects on the proliferation of a series of tumor cell lines, including K562, L1210, SW620, HepG2, LNCaP, and MCF-7cells. These findings indicated that P. baumii mycelia produced by solid-state fermentation in rice canbe used to obtain active compounds with the ability to inhibittumor-cell proliferation.

  7. Characterization of Compounds with Tumor–Cell Proliferation Inhibition Activity from Mushroom (Phellinus baumii Mycelia Produced by Solid-State Fermentation

    Directory of Open Access Journals (Sweden)

    Henan Zhang

    2017-04-01

    Full Text Available The inhibition of tumor-cell proliferationbyan organicsolvent extract from the solid-state fermentation of Phellinus baumii mycelia inoculated in rice medium was investigated in vitro. The active compounds inhibiting tumor-cell proliferation were characterized. Results revealed that all (petroleum ether, chloroform, ethyl acetate, and butanol fractions inhibited tumor-cell proliferation in a dose-dependent fashion. The ethyl acetate extract had the highest inhibitory effecton tumor-cell proliferation, and the butanol fraction had the lowest. Six compounds were isolated and purified from the ethyl acetate extract of P. baumii mycelia by the tandem application of silica-gel column chromatography (SGCC, high-speed countercurrent chromatography (HSCCC, and preparative HPLC. These compounds were identified by NMR and electrospray ionization-mass spectrometry (ESI-MS spectroscopic methods as ergosterol (RF1, ergosta-7,22-dien-3β-yl pentadecanoate (RF3, 3,4-dihydroxy benzaldehyde(RF6, inoscavinA (RF7, baicalein(RF10, and 24-ethylcholesta-5,22-dien-3β-ol (RF13. To further clarify the activity of these compounds, the cell-proliferation-inhibition tests of these compounds on various tumor cells were carried out and evaluatedin vitro. Results suggested that compounds RF6, RF7, and RF10 had potent inhibition effects on the proliferation of a series of tumor cell lines, including K562, L1210, SW620, HepG2, LNCaP, and MCF-7cells. These findings indicated that P. baumii mycelia produced by solid-state fermentation in rice canbe used to obtain active compounds with the ability to inhibittumor-cell proliferation.

  8. Giant magnetoresistance associated with a first-order transition between two ferrimagnetic states in Mn2-xZnxSb (x < 0.3) compounds

    International Nuclear Information System (INIS)

    Zhang, Q; Zhang, Y Q; Li, Y B; Du, J; Feng, W J; Li, D; Zhang, Z D

    2008-01-01

    A giant magnetoresistance (GMR) is observed in the Mn 2-x Zn x Sb (x 1.9 Zn 0.1 Sb compound. Different from other Mn 2 Sb-based compounds, the GMR in Mn 2-x Zn x Sb is closely correlated with a field-induced transition from a weak ferrimagnetic (WFI) state to a ferrimagnetic (FI) state. It is understood that the influences of both super-zone gap and spin-dependent scattering are responsible for GMR in the present system. Magnetic hysteresis and phase coexistence of the WFI and the FI phases suggest that this WFI-FI transition is of first order. The different mechanisms responsible for butterfly loops of magnetization/resistivity curves in different magnetic states are discussed

  9. Exploratory Characterization of Phenolic Compounds with Demonstrated Anti-Diabetic Activity in Guava Leaves at Different Oxidation States

    OpenAIRE

    D?az-de-Cerio, Elixabet; Verardo, Vito; G?mez-Caravaca, Ana Mar?a; Fern?ndez-Guti?rrez, Alberto; Segura-Carretero, Antonio

    2016-01-01

    Psidium guajava L. is widely used like food and in folk medicine all around the world. Many studies have demonstrated that guava leaves have anti-hyperglycemic and anti-hyperlipidemic activities, among others, and that these activities belong mainly to phenolic compounds, although it is known that phenolic composition in guava tree varies throughout seasonal changes. Andalusia is one of the regions in Europe where guava is grown, thus, the aim of this work was to study the phenolic compounds ...

  10. Composition of the volatile compounds from Aniba canelilla (H. B. K. Mez. extracted by CO2 in the supercritical state

    Directory of Open Access Journals (Sweden)

    Janete H. Y. Vilegas

    Full Text Available The volatile compounds obtained by SFE-CO2 (supercritical fluid extraction utilizing CO2 from the barks of Aniba canelilla (H. B. K. Mez. (Lauraceae were analyzed by HRGC-FID (high resolution gas chromatography - flame ionization detector and HRGC-MS (high resolution gas chromatography -mass spectrometry. Phenylpropanoids and lower amounts of sesquiterpenoids, representing ca. 97% of the total oil, were identified. The main compound, 2-phenylnitroethane, corresponds to 71,12% of the total oil.

  11. pH-Induced precipitation behavior of weakly basic compounds: determination of extent and duration of supersaturation using potentiometric titration and correlation to solid state properties.

    Science.gov (United States)

    Hsieh, Yi-Ling; Ilevbare, Grace A; Van Eerdenbrugh, Bernard; Box, Karl J; Sanchez-Felix, Manuel Vincente; Taylor, Lynne S

    2012-10-01

    To examine the precipitation and supersaturation behavior of ten weak bases in terms of the relationship between pH-concentration-time profiles and the solid state properties of the precipitated material. Initially the compound was dissolved at low pH, followed by titration with base to induce precipitation. Upon precipitation, small aliquots of acid or base were added to induce slight subsaturation and supersaturation respectively and the resultant pH gradient was determined. The concentration of the unionized species was calculated as a function of time and pH using mass and charge balance equations. Two patterns of behavior were observed in terms of the extent and duration of supersaturation arising following an increase in pH and this behavior could be rationalized based on the crystallization tendency of the compound. For compounds that did not readily crystallize, an amorphous precipitate was formed and a prolonged duration of supersaturation was observed. For compounds that precipitated to crystalline forms, the observed supersaturation was short-lived. This study showed that supersaturation behavior has significant correlation with the solid-state properties of the precipitate and that pH-metric titration methods can be utilized to evaluate the supersaturation behavior.

  12. Plan for assessment of the occurrence, status, and distribution of volatile organic compounds in aquifers of the United States

    Science.gov (United States)

    Lapham, W.W.; Tadayon, Saeid

    1996-01-01

    The occurrence of volatile organic compounds (VOCs) in water is of national concern because of their relatively high aqueous solubility, mobility, and persistence, because many are known or suspected carcinogens, because of their widespread use, and because they have been found in drinking-water supplies. Because of this national concern, VOCs were selected for National investigation (hereafter termed "National Synthesis") by the U.S. Geological Survey's National Water-Quality Assessment (NAWQA) Program in 1994. The broad goals of this National Synthesis are to: (1) describe current water- quality conditions with respect to VOCs; (2) define trends, or lack of trends, in VOCs in surface and ground water; and (3) identify, describe, and explain causal relations among the occurrence and distribution of VOCs in surface water and ground water, and natural and human factors. The National Synthesis of VOCs in ground water has three objectives: (1) to describe their occurrence, status, and distribution; (2) to determine relations among VOCs in shallow ground water and natural and human factors; and (3) to determine, compare, and contrast the occurrence, transformation, transport, and fate of selected VOCs in the hydrologic cycle for several regionally or nationally important aquifer systems. The description of VOC occurrence, status, and distribution in ground water focuses on major aquifers of the United States. Occurrence describes the presence or absence of VOCs, their frequency of occurrence, and their ranges of concentrations. Status compares the concentrations of VOCs detected in relation to water-quality regulations or advisories, such as Maximum Contaminant Levels, Proposed Maximum Contaminant Levels, Maximum Contaminant Level Goals, and Health Advisories. Distribution describes the variability of VOCs in ground water, areally and by depth. This report describes the study design for conducting such an assessment. The assessment focuses on aquifers, or parts of

  13. Thermodynamic behavior of very stable binary compounds with a wide homogeneity range: Their influence in the liquid phase in ternary and higher component systems in the solid state

    International Nuclear Information System (INIS)

    Hoch, M.

    1988-01-01

    The Hoch-Arpshofen model is combined with the Schottky-Wagner disorder model to describe first binary liquid systems, where a very stable solid protrudes into the liquid. We analyze the systems K-I 2 , Cs-I 2 , U-UO 3 , Ag-S and Al-Sb. The system Al-Sb can be described as Al-Sb and as Al-AlSb-Sb. Then we examine the Al-Co, Al-Ni, and Al-Fe systems to describe the stable compounds CoAl, NiAl, and FeAl, which all have a wide homogeneity range in the solid state. Here the Schottky-Wagner model is sufficient. Finally we describe a model which treats the influence of these stable binary compounds in ternary and larger systems such as Al-Cr-Ni and Al-Cr-Fe, again in the solid state. (orig./IHOE) [de

  14. Combining electronic structure and many-body theory with large databases: A method for predicting the nature of 4 f states in Ce compounds

    Science.gov (United States)

    Herper, H. C.; Ahmed, T.; Wills, J. M.; Di Marco, I.; Björkman, T.; Iuşan, D.; Balatsky, A. V.; Eriksson, O.

    2017-08-01

    Recent progress in materials informatics has opened up the possibility of a new approach to accessing properties of materials in which one assays the aggregate properties of a large set of materials within the same class in addition to a detailed investigation of each compound in that class. Here we present a large scale investigation of electronic properties and correlated magnetism in Ce-based compounds accompanied by a systematic study of the electronic structure and 4 f -hybridization function of a large body of Ce compounds. We systematically study the electronic structure and 4 f -hybridization function of a large body of Ce compounds with the goal of elucidating the nature of the 4 f states and their interrelation with the measured Kondo energy in these compounds. The hybridization function has been analyzed for more than 350 data sets (being part of the IMS database) of cubic Ce compounds using electronic structure theory that relies on a full-potential approach. We demonstrate that the strength of the hybridization function, evaluated in this way, allows us to draw precise conclusions about the degree of localization of the 4 f states in these compounds. The theoretical results are entirely consistent with all experimental information, relevant to the degree of 4 f localization for all investigated materials. Furthermore, a more detailed analysis of the electronic structure and the hybridization function allows us to make precise statements about Kondo correlations in these systems. The calculated hybridization functions, together with the corresponding density of states, reproduce the expected exponential behavior of the observed Kondo temperatures and prove a consistent trend in real materials. This trend allows us to predict which systems may be correctly identified as Kondo systems. A strong anticorrelation between the size of the hybridization function and the volume of the systems has been observed. The information entropy for this set of systems is

  15. Complex magnetic behaviour and evidence of a superspin glass state in the binary intermetallic compound Er5Pd2

    Science.gov (United States)

    Sharma, Mohit K.; Yadav, Kavita; Mukherjee, K.

    2018-05-01

    The binary intermetallic compound Er5Pd2 has been investigated using dc and ac magnetic susceptibilities, magnetic memory effect, isothermal magnetization, non-linear dc susceptibility, heat capacity and magnetocaloric effect studies. Interestingly, even though the compound does not show geometrical frustration it undergoes glassy magnetic phase transition below 17.2 K. Investigation of dc magnetization and heat capacity data divulged absence of long-ranged magnetic ordering. Through the magnetic memory effect, time dependent magnetization and ac susceptibility studies it was revealed that the compound undergoes glass-like freezing below 17.2 K. Analysis of frequency dependence of this transition temperature through scaling and Arrhenius law; along with the Mydosh parameter indicate, that the dynamics in Er5Pd2 are due to the presence of strongly interacting superspins rather than individual spins. This phase transition was further investigated by non-linear dc susceptibility and was characterized by static critical exponents γ and δ. Our results indicate that this compound shows the signature of superspin glass at low temperature. Additionally, both conventional and inverse magnetocaloric effect was observed with a large value of magnetic entropy change and relative cooling power. Our results suggest that Er5Pd2 can be classified as a superspin glass system with large magnetocaloric effect.

  16. Effects of a newly developed potent orexin-2 receptor-selective antagonist Compound1m on sleep/wake states in mice

    Directory of Open Access Journals (Sweden)

    Keishi eEtori

    2014-01-01

    Full Text Available Orexins (also known as hypocretins, which are hypothalamic neuropeptides, play critical roles in the regulation of sleep/wakefulness states by activating two G-protein coupled receptors (GPCRs, orexin 1 (OX1R and orexin 2 receptors (OX2R. In order to know the difference between effects of OX2R-selective antagonists (2-SORA and dual orexin receptor antagonists (DORA, and to understand the mechanisms underlying orexin-mediated regulation of sleep/wakefulness states, we examined the effects of a newly developed 2-SORA, Compound 1m (C1m, and a DORA, suvorexant, on sleep/wakefulness states in C57BL/6J mice. After oral administration in the dark period, both C1m and suvorexant exhibited potent sleep-promoting properties with similar efficacy in a dose-dependent manner. While C1m did not increase NREM and REM sleep episode durations, suvorexant induced longer episode durations of NREM and REM sleep as compared with both the vehicle- and C1m-administered groups. When compounds were injected during light period, C1m did not show a significant change in sleep/wakefulness states in the light period, whereas suvorexant slightly but significantly increased the sleep time. We also found that C1m did not affect the time of REM sleep, while suvorexant markedly increased it. This suggests that although OX1R-mediated pathway plays a pivotal role in promoting wakefulness, OX1R-mediated pathway also plays an additional role. OX1R-mediated pathway also plays a role in suppression of REM sleep. Fos-immunostaining showed that both compounds affected the activity of arousal-related neurons with different patterns. These results suggest partly overlapping and partly distinct roles of orexin receptors in the regulation of sleep/wakefulness states.

  17. Method for estimating critical properties of heavy compounds suitable for cubic equations of state and its application to the prediction of vapor pressures

    DEFF Research Database (Denmark)

    Kontogeorgis, Georgios; Ioannis, Smirlis; Iakovos, Yakoumis

    1997-01-01

    S. The proposed scheme employs a recent group-contribution method (Constantinou et al. Fluid Phase Equilib. 1995, 103 (1), 11) for estimating the acentric factor. The two critical properties are estimated via a generalized correlation for the ratio T-c/P-c (with the van der Waals surface area) and the cubic Eo...... pressures for several nonpolar and slightly polar heavy compounds with very satisfactory results, essentially independent of the experimental point used. Furthermore, the method yields critical properties for heavy alkanes (N-c > 20) and other compounds which are in very good agreement with recent available......Cubic equations of state (EoS) are often used for correlating and predicting phase equilibria. Before extending any EoS to mixtures, reliable vapor-pressure prediction is essential. This requires experimental, if possible, critical temperatures T-c, pressures P-c, and acentric factor omega...

  18. Occurrence and in vitro bioactivity of estrogen, androgen, and glucocorticoid compounds in a nationwide screen of United States stream waters

    Data.gov (United States)

    U.S. Environmental Protection Agency — In vitro bioactivity concentrations and chemical concentrations of estrogens, androgens, and glucocorticoids from a nationwide screen of United States stream water...

  19. Reversible bulk-phase change of anthroyl compounds for photopatterning based on photodimerization in the molten state and thermal back reaction.

    Science.gov (United States)

    Kihara, Hideyuki; Yoshida, Masaru

    2013-04-10

    As new organic materials for rewritable photopatterning, 2-anthroyl and 9-anthroyl ester compounds were synthesized. Their bulk-phase changes (we use "bulk-phase change" as complete phase change in a mass of a material neither in a surface nor in a small quantity in this study) triggered by photodimerization under melting conditions (melt-photodimerization) and subsequent thermal back reactions were investigated. All the anthroyl compounds exhibited melting points lower than ca. 160 °C, and they were nearly quantitatively converted to the corresponding photodimers by UV irradiation at temperatures of ∼5 °C higher than their respective melting points. We found that there were two kinds of bulk-phase change behaviors through the photoreaction. Two of the anthroyl compounds remained isotropic and lost fluidity during the melt-photodimerization. The obtained photodimers exhibited robust solid-state amorphous phases at room temperature. In contrast, the other three anthroyl compounds showed crystallization during the melt-photodimerization. The resulting photodimers changed from isotropic to crystalline phases, even at high temperature. Various experiments revealed that the bulk phase of the photodimers was affected not by the existence of regioisomers but by their fluidity at the photoirradiation temperature. The latter three photodimers retained enough fluidity, reflecting their high molecular mobilities at the photoirradiation temperature at which the isothermal crystallization occurred. The other two products were not able to crystallize due to low fluidity, resulting in amorphous phases. We also found that all the photodimers reverted to the corresponding monomers by thermal back reaction and recovered their initial photochemical and thermal properties. Using these reversible bulk-phase changes of the anthroyl compounds, we successfully demonstrated rewritable photopatterning in not only negative images but also positive ones, based on the optical contrast

  20. Saddle-like topological surface states on the T T'X family of compounds (T , T' = Transition metal, X =Si , Ge)

    Science.gov (United States)

    Singh, Bahadur; Zhou, Xiaoting; Lin, Hsin; Bansil, Arun

    2018-02-01

    Topological nodal-line semimetals are exotic conductors that host symmetry-protected conducting nodal lines in their bulk electronic spectrum and nontrivial drumhead states on the surface. Based on first-principles calculations and an effective model analysis, we identify the presence of topological nodal-line semimetal states in the low crystalline symmetric T T'X family of compounds (T ,T' = transition metal, X = Si or Ge) in the absence of spin-orbit coupling (SOC). Taking ZrPtGe as an exemplar system, we show that owing to small lattice symmetry this material harbors a single nodal line on the ky=0 plane with large energy dispersion and unique drumhead surface state with a saddlelike energy dispersion. When the SOC is included, the nodal line gaps out and the system transitions to a strong topological insulator state with Z2=(1 ;000 ) . The topological surface state evolves from the drumhead surface state via the sharing of its saddlelike energy dispersion within the bulk energy gap. These features differ remarkably from those of the currently known topological surface states in topological insulators such as Bi2Se3 with Dirac-cone-like energy dispersions.

  1. Thermodynamics, Kinetics and Microstructural Evolution of the Compound Layer; a Comparison of the States of Knowledge of Nitriding and Nitrocarburising

    DEFF Research Database (Denmark)

    Somers, Marcel A.J.

    2000-01-01

    and atmospheric corrosion performance. The diffusion zone brings about an improvement of the endurance limit as compared to an untreated component. Hence, nitrocarburising is perhaps the most versatile surface treatment for ferritic steel and has a potential for wide application. From the literature...... conditions for tailoring a certain combination of properties. The present paper describes aspects of the thermodynamics, kinetics and microstructure evolution of the compound layer on pure iron during nitrocarburising, by comparing the current status of qualitative understanding with that for nitriding...

  2. Improving GC-PPC-SAFT equation of state for LLE of hydrocarbons and oxygenated compounds with water

    DEFF Research Database (Denmark)

    Nguyen, Thanh-Binh; Jean-Charles, De Hemptinne; Creton, Benoit

    2014-01-01

    , uαβ, and wαβ are fitted on mutual solubilities of water and organic compounds. The regressed values which are obtained for each chemical family, are subsequently used for predicting infinite dilution activity coefficient in water and n-octanol/water partition coefficient.In general, the results...... obtained are very much improved compared to the predictive approach discussed previously [Nguyen et al. Ind. Eng. Chem. Res. 52 (2013) 7014-7029]. The global deviation values on the decimal log scale for infinite dilution activity coefficient in water, water solubility and n-octanol/water partition...

  3. Approaches to Determining the Oxidation State of Nitrogen and Carbon Atoms in Organic Compounds for High School Students

    Science.gov (United States)

    Jurowski, Kamil; Krzeczkowska, Malgorzata Krystyna; Jurowska, Anna

    2015-01-01

    The concept of oxidation state (or oxidation number) and related issues have always been difficult for students. In addition, there are misunderstandings and obscurities, which can cause improper balancing of the chemical equations (mostly in organic reactions). In particular, these problems are related to determination of the oxidation state of…

  4. Use of compounded hormone therapy in the United States: report of The North American Menopause Society Survey.

    Science.gov (United States)

    Gass, Margery L S; Stuenkel, Cynthia A; Utian, Wulf H; LaCroix, Andrea; Liu, James H; Shifren, Jan L

    2015-12-01

    A national survey was conducted to determine the extent of use of compounded hormone therapy (C-HT) and to characterize the differences between C-HT users and users of hormone therapy approved by the US Food and Drug Administration (FDA-HT users). This Internet survey enrolled 3,725 women aged 40 to 84 years who were postmenopausal or experiencing the menopause transition. The sample was weighted slightly by age, region, education, and race to reflect population attributes based on US Census data. Overall, 9% of women were current users of HT, and 28% of all respondents were ever-users of HT. C-HT users represented 31% of ever-users of HT, 35% of current users of HT, and 41% of ever-users aged 40 to 49 years. Approximately 13% of ever-users indicated current or past use of testosterone. The most cited reason for using HT was vasomotor symptoms (∼70%). Nonapproved indications for using HT were selected more often by C-HT users. There were four reports of endometrial cancer among the 326 C-HT users compared with none reported among the 738 FDA-HT users. Significance was not determined because of small numbers. This survey indicates substantial use of C-HT across the country and the possibility of higher rates of endometrial side effects with such products. There is a need for standardized data collection on the extent of use of compounded hormones and their potential risks.

  5. Magnesium compounds

    Science.gov (United States)

    Kramer, D.A.

    2007-01-01

    Seawater and natural brines accounted for about 52 percent of U.S. magnesium compounds production in 2006. Dead-burned magnesia was produced by Martin Marietta Magnesia Specialties from well brines in Michigan. Caustic-calcined magnesia was recovered from sea-water by Premier Chemicals in Florida; from well brines in Michigan by Martin Marietta and Rohm and Haas; and from magnesite in Nevada by Premier Chemicals. Intrepid Potash-Wendover and Great Salt Lake Minerals recovered magnesium chloride brines from the Great Salt Lake in Utah. Magnesium hydroxide was produced from brucite by Applied Chemical Magnesias in Texas, from seawater by SPI Pharma in Delaware and Premier Chemicals in Florida, and by Martin Marietta and Rohm and Haas from their operations mentioned above. About 59 percent of the magnesium compounds consumed in the United States was used for refractories that are used mainly to line steelmaking furnaces. The remaining 41 percent was consumed in agricultural, chemical, construction, environmental and industrial applications.

  6. Genetic Characterization of Fungi Isolated from the Environmental Swabs collected from a Compounding Center Known to Cause Multistate Meningitis Outbreak in United States Using ITS Sequencing

    Directory of Open Access Journals (Sweden)

    Irshad M. Sulaiman

    2014-08-01

    Full Text Available A multistate fungal meningitis outbreak started in September of 2012 which spread in 20 states of the United States. The outbreak has been fatal so far, and has affected 751 individuals with 64 deaths among those who received contaminated spinal injections manufactured by a Compounding Center located in Massachusetts. In a preliminary study, Food and Drug Administration (FDA investigated the outbreak in collaboration with Centers for Disease Control and Prevention (CDC, state and local health departments, and identified four fungal and several bacterial contaminations in the recalled unopened injection vials. This follow-up study was carried out to assess DNA sequencing of the ITS1 region of rRNA gene for rapid identification of fungal pathogens during public health outbreak investigations. A total of 26 environmental swabs were collected from several locations at the manufacturing premises of the Compounding Center known to have caused the outbreak. The swab samples were initially examined by conventional microbiologic protocols and a wide range of fungal species were recovered. Species-identification of these microorganisms was accomplished by nucleotide sequencing of ITS1 region of rRNA gene. Analysis of data confirmed 14 additional fungal species in the swabs analyzed.

  7. Magnesium compounds

    Science.gov (United States)

    Kramer, D.A.

    2012-01-01

    Seawater and natural brines accounted for about 57 percent of magnesium compounds produced in the United States in 2011. Dead-burned magnesia was produced by Martin Marietta Magnesia Specialties LLC from well brines in Michigan. Caustic-calcined magnesia was recovered from seawater by Premier Magnesia LLC in Florida, from well brines in Michigan by Martin Marietta and from magnesite in Nevada by Premier Magnesia. Intrepid Potash Wendover LLC and Great Salt Lake Minerals Corp. recovered magnesium chloride brines from the Great Salt Lake in Utah. Magnesium hydroxide was produced from seawater by SPI Pharma Inc. in Delaware and Premier Magnesia in Florida, and by Martin Marietta from its brine operation in Michigan.

  8. Preparation of solid-state samples of a transition metal coordination compound for synchrotron radiation photoemission studies

    CERN Document Server

    Crotti, C; Celestino, T; Fontana, S

    2003-01-01

    The aim of this research was to identify a sample preparation method suitable for the study of transition metal complexes by photoemission spectroscopy with synchrotron radiation as the X-ray source, even in the case where the compound is not evaporable. Solid-phase samples of W(CO) sub 4 (dppe) [dppe=1,2-bis(diphenylphosphino)ethane] were prepared according to different methods and their synchrotron radiation XPS spectra measured. The spectra acquired from samples prepared by spin coating show core level peaks only slightly broader than the spectrum recorded from UHV evaporated samples. Moreover, for these samples the reproducibility of the binding energy values is excellent. The dependence of the spin coating technique on parameters such as solvent and solution concentration, spinning speed and support material was studied. The same preparation method also allowed the acquisition of valence band spectra, the main peaks of which were clearly resolved. The results suggest that use of the spin coating techniqu...

  9. Concentration data for anthropogenic organic compounds in groundwater, surface water, and finished water of selected community water systems in the United States, 2002-10

    Science.gov (United States)

    Carter, Janet M.; Kingsbury, James A.; Hopple, Jessica A.; Delzer, Gregory C.

    2010-01-01

    The National Water-Quality Assessment Program of the U.S. Geological Survey began implementing Source Water-Quality Assessments (SWQAs) in 2001 that focus on characterizing the quality of source water and finished water of aquifers and major rivers used by some of the larger community water systems in the United States. As used in SWQA studies, source water is the raw (ambient) water collected at the supply well before water treatment (for groundwater) or the raw (ambient) water collected from the river near the intake (for surface water), and finished water is the water that has been treated and is ready to be delivered to consumers. Finished-water samples are collected before the water enters the distribution system. The primary objective of SWQAs is to determine the occurrence of more than 250 anthropogenic organic compounds in source water used by community water systems, many of which currently are unregulated in drinking water by the U.S. Environmental Protection Agency. A secondary objective is to understand recurrence patterns in source water and determine if these patterns also occur in finished water before distribution. SWQA studies were conducted in two phases for most studies completed by 2005, and in one phase for most studies completed since 2005. Analytical results are reported for a total of 295 different anthropogenic organic compounds monitored in source-water and finished-water samples collected during 2002-10. The 295 compounds were classified according to the following 13 primary use or source groups: (1) disinfection by-products; (2) fumigant-related compounds; (3) fungicides; (4) gasoline hydrocarbons, oxygenates, and oxygenate degradates; (5) herbicides and herbicide degradates; (6) insecticides and insecticide degradates; (7) manufacturing additives; (8) organic synthesis compounds; (9) pavement- and combustion-derived compounds; (10) personal-care and domestic-use products; (11) plant- or animal-derived biochemicals; (12) refrigerants and

  10. 4-spin plaquette singlet state in the Shastry-Sutherland compound SrCu2(BO3)2

    Science.gov (United States)

    Zayed, M. E.; Rüegg, Ch.; Larrea J., J.; Läuchli, A. M.; Panagopoulos, C.; Saxena, S. S.; Ellerby, M.; McMorrow, D. F.; Strässle, Th.; Klotz, S.; Hamel, G.; Sadykov, R. A.; Pomjakushin, V.; Boehm, M.; Jiménez-Ruiz, M.; Schneidewind, A.; Pomjakushina, E.; Stingaciu, M.; Conder, K.; Rønnow, H. M.

    2017-10-01

    The study of interacting spin systems is of fundamental importance for modern condensed-matter physics. On frustrated lattices, magnetic exchange interactions cannot be simultaneously satisfied, and often give rise to competing exotic ground states. The frustrated two-dimensional Shastry-Sutherland lattice realized by SrCu2(BO3)2 (refs ,) is an important test case for our understanding of quantum magnetism. It was constructed to have an exactly solvable 2-spin dimer singlet ground state within a certain range of exchange parameters and frustration. While the exact dimer state and the antiferromagnetic order at both ends of the phase diagram are well known, the ground state and spin correlations in the intermediate frustration range have been widely debated. We report here the first experimental identification of the conjectured plaquette singlet intermediate phase in SrCu2(BO3)2. It is observed by inelastic neutron scattering after pressure tuning to 21.5 kbar. This gapped singlet state leads to a transition to long-range antiferromagnetic order above 40 kbar, consistent with the existence of a deconfined quantum critical point.

  11. Deduction of the chemical state and the electronic structure of Nd{sub 2}Fe{sub 14}B compound from X-ray photoelectron spectroscopy core-level and valence-band spectra

    Energy Technology Data Exchange (ETDEWEB)

    Wang, Jing; Liang, Le [School of Materials Science and Engineering, Shanghai Jiao Tong University, Shanghai 200240 (China); Zhang, Lanting, E-mail: lantingzh@sjtu.edu.cn, E-mail: lmsun@sjtu.edu.cn [School of Materials Science and Engineering, Shanghai Jiao Tong University, Shanghai 200240 (China); Hirano Institute for Materials Innovation, Shanghai Jiao Tong University, Shanghai 200240 (China); Sun, Limin, E-mail: lantingzh@sjtu.edu.cn, E-mail: lmsun@sjtu.edu.cn [Instrumental Analysis Center, Shanghai Jiao Tong University, Shanghai 200240 (China); Hirano, Shinichi [Hirano Institute for Materials Innovation, Shanghai Jiao Tong University, Shanghai 200240 (China)

    2014-10-28

    Characterization of chemical state and electronic structure of the technologically important Nd{sub 2}Fe{sub 14}B compound is attractive for understanding the physical nature of its excellent magnetic properties. X-ray photoelectron spectroscopy (XPS) study of such rare-earth compound is important and also challenging due to the easy oxidation of surface and small photoelectron cross-sections of rare-earth 4f electrons and B 2p electrons, etc. Here, we reported an investigation based on XPS spectra of Nd{sub 2}Fe{sub 14}B compound as a function of Ar ion sputtering time. The chemical state of Fe and that of B in Nd{sub 2}Fe{sub 14}B compound can be clearly determined to be 0 and −3, respectively. The Nd in Nd{sub 2}Fe{sub 14}B compound is found to have the chemical state of close to +3 instead of +3 as compared with the Nd in Nd{sub 2}O{sub 3}. In addition, by comparing the valence-band spectrum of Nd{sub 2}Fe{sub 14}B compound to that of the pure Fe, the contributions from Nd, Fe, and B to the valence-band structure of Nd{sub 2}Fe{sub 14}B compound is made more clear. The B 2p states and B 2s states are identified to be at ∼11.2 eV and ∼24.6 eV, respectively, which is reported for the first time. The contribution from Nd 4f states can be identified both in XPS core-level spectrum and XPS valence-band spectrum. Although Nd 4f states partially hybridize with Fe 3d states, Nd 4f states are mainly localized in Nd{sub 2}Fe{sub 14}B compound.

  12. Structure-dependent photophysical properties of singlet and triplet metal-to-ligand charge transfer states in copper(I) bis(diimine) compounds.

    Science.gov (United States)

    Siddique, Zainul Abedin; Yamamoto, Yuichi; Ohno, Takeshi; Nozaki, Koichi

    2003-10-06

    The photophysical properties of singlet and triplet metal-to-ligand charge transfer (MLCT) states of [Cu(I)(diimine)(2)](+), where diimine is 2,9-dimethyl-1,10-phenanthroline (dmphen), 2,9-dibutyl-1,10-phenanthroline (dbphen), or 6,6'-dimethyl-2,2'-bipyridine (dmbpy), were studied. On 400 nm laser excitation of [Cu(dmphen)(2)](+) in CH(2)Cl(2) solution, prompt (1)MLCT fluorescence with a quantum yield of (2.8 +/- 0.8) x 10(-5) was observed using a picosecond time-correlated single photon counting technique. The quantum yield was dependent on the excitation wavelength, suggesting that relaxation of the Franck-Condon state to the lowest (1)MLCT competes with rapid intersystem crossing (ISC). The fluorescence lifetime of the copper(I) compound was 13-16 ps, unexpectedly long despite a large spin-orbit coupling constant of 3d electrons in copper (829 cm(-1) ). Quantum chemical calculations using a density functional theory revealed that the structure of the lowest (1)MLCT in [Cu(dmphen)(2)](+) (1(1)B(1)) was flattened due to the Jahn-Teller effect in 3d(9) electronic configuration, and the dihedral angle between the two phenanthroline planes (dha) was about 75 degrees with the dha around 90 degrees in the ground state. Intramolecular reorganization energy for the radiative transition of 1(1)B(1) was calculated as 2.1 x 10(3) cm(-1), which is responsible for the large Stokes shift of the fluorescence observed (5.4 x 10(3) cm(-1)). To understand the sluggishness of the intersystem crossing (ISC) of (1)MLCT of the copper(I) compounds, the strength of the spin-orbit interaction between the lowest (1)MLCT (1(1)B(1)) and all (3)MLCT states was calculated. The ISC channels induced by strong spin-orbit interactions (ca. 300 cm(-1)) between the metal-centered HOMO and HOMO - 1 were shown to be energetically unfavorable in the copper(I) compounds because the flattening distortion caused large splitting (6.9 x 10(3) cm(-1)) between these orbitals. The possible ISC is therefore

  13. Cs{sub 4}P{sub 2}Se{sub 10}: A new compound discovered with the application of solid-state and high temperature NMR

    Energy Technology Data Exchange (ETDEWEB)

    Gave, Matthew A; Canlas, Christian G [Department of Chemistry, Michigan State University, East Lansing, MI 48824 (United States); Chung, In [Department of Chemistry, Michigan State University, East Lansing, MI 48824 (United States); Department of Chemistry, Northwestern University, Evanston, IL 60208 (United States); Iyer, Ratnasabapathy G [Department of Chemistry, Michigan State University, East Lansing, MI 48824 (United States); Kanatzidis, Mercouri G [Department of Chemistry, Michigan State University, East Lansing, MI 48824 (United States); Department of Chemistry, Northwestern University, Evanston, IL 60208 (United States)], E-mail: m-kanatzidis@northwestern.edu; Weliky, David P. [Department of Chemistry, Michigan State University, East Lansing, MI 48824 (United States)], E-mail: weliky@chemistry.msu.edu

    2007-10-15

    The new compound Cs{sub 4}P{sub 2}Se{sub 10} was serendipitously produced in high purity during a high-temperature synthesis done in a nuclear magnetic resonance (NMR) spectrometer. {sup 31}P magic angle spinning (MAS) NMR of the products of the synthesis revealed that the dominant phosphorus-containing product had a chemical shift of -52.8 ppm that could not be assigned to any known compound. Deep reddish brown well-formed plate-like crystals were isolated from the NMR reaction ampoule and the structure was solved with X-ray diffraction. Cs{sub 4}P{sub 2}Se{sub 10} has the triclinic space group P-1 with a=7.3587(11) A, b=7.4546(11) A, c=10.1420(15) A, {alpha}=85.938(2){sup o}, {beta}=88.055(2){sup o}, and {gamma}=85.609(2){sup o} and contains the [P{sub 2}Se{sub 10}]{sup 4-} anion. To our knowledge, this is the first compound containing this anion that is composed of two tetrahedral (PSe{sub 4}) units connected by a diselenide linkage. It was also possible to form a glass by quenching the melt in ice water, and Cs{sub 4}P{sub 2}Se{sub 10} was recovered upon annealing. The static {sup 31}P NMR spectrum at 350 deg. C contained a single peak with a -35 ppm chemical shift and a {approx}7 ppm peak width. This study highlights the potential of solid-state and high-temperature NMR for aiding discovery of new compounds and for probing the species that exist at high temperature. - Graphical abstract: The new compound Cs{sub 4}P{sub 2}Se{sub 10} was discovered following a high-temperature in situ synthesis in the NMR spectrometer and the structure was determined by single-crystal X-ray diffraction. It contains the new [P{sub 2}Se{sub 10}]{sup 4-} anion.

  14. Use of newborn screening program blood spots for exposure assessment: declining levels of perluorinated compounds in New York State infants.

    Science.gov (United States)

    Spliethoff, Henry M; Tao, Lin; Shaver, Shannon M; Aldous, Kenneth M; Pass, Kenneth A; Kannan, Kurunthachalam; Eadon, George A

    2008-07-15

    Temporal biomonitoring studies can assess changes in population exposures to contaminants, but collection of biological specimens with adequate representation and sufficient temporal resolution can be resource-intensive. Newborn Screening Programs (NSPs) collect blood as dried spots on filter paper from nearly all infants born in the United States (U.S.). In this study, we investigated the use of NSP blood spots for temporal biomonitoring by analyzing perfluorooctane sulfonate (PFOS), perfluorooctane sulfonamide (PFOSA), perfluorohexane sulfonate (PFHxS), perfluorooctanoic acid (PFOA), and perfluorononanoic acid (PFNA) in 110 New York State (NYS) NSP blood spot composite specimens collected between 1997 and 2007, representing a total of 2640 infants. All analytes were detected in > or =90% of the specimens. Concentrations of PFOS, PFOSA, PFHxS, and PFOA exhibited significant exponential declines after the year 2000, coinciding with the phase-out in PFOS production in the U.S. Calculated disappearance half-lives for PFOS, PFHxS, and PFOA (4.4, 8.2, and 4.1 years, respectively) were similar to biological half-lives reported for retired fluorochemical workers. Our results suggest sharp decreases in perinatal exposure of NYS infants to PFOS, PFOSA, PFHxS, and PFOA and demonstrate, for the first time, the utility of NSP blood spots for assessment of temporal trends in exposure.

  15. Occurrence and status of volatile organic compounds in ground water from rural, untreated, self-supplied domestic wells in the United States, 1986-99

    Science.gov (United States)

    Moran, Michael J.; Lapham, Wayne W.; Rowe, Barbara L.; Zogorski, John S.

    2002-01-01

    Samples of untreated ground water from 1,926 rural, self-supplied domestic wells were analyzed for volatile organic compounds (VOCs) during 1986-99. This information was used to characterize the occurrence and status of VOCs in domestic well water. The samples were either collected as part of the U.S. Geological Survey?s National Water-Quality Assessment (NAWQA) Program occurrence-assessment studies or were compiled by NAWQA from existing ambient ground-water or source-water-quality monitoring programs conducted by local, State, and other Federal agencies. Water samples were collected at the wellhead prior to treatment or storage. In most samples, 55 target VOCs were analyzed, and occurrence and status information generally was computed at an assessment level of 0.2 mg/L (microgram per liter). At least one VOC was detected in 12 percent of samples (232 samples) at an assessment level of 0.2 mg/L. This detection frequency is relatively low compared to the 26 percent detection frequency of at least one VOC in public sup-ply wells sampled by NAWQA, and the difference may be due, in part, to the higher pumping rates, pumping stress factors, and larger contributing areas of public supply wells. Samples with detections of at least one VOC were collected from wells located in 31 of 39 States. Solvents were the most frequently detected VOC group with detections in 4.6 percent of samples (89 samples) at an assessment level of 0.2 mg/L. The geographic distribution of detections of some VOC groups, such as fumigants and oxygenates, relates to the use pattern of com-pounds in that group. With the exception of com-pounds used in organic synthesis, detection frequencies of VOCs by group are proportional to the average half-life of compounds in the group. When the organic synthesis group is excluded from the analysis, a good correlation exists between the detection frequency of VOCs by group and average half-life of compounds in the group. Individually, VOCs were not commonly

  16. Ground state properties and thermoelectric behavior of Ru{sub 2}VZ (Z=Si, ge, sn) half-metallic ferromagnetic full-Heusler compounds

    Energy Technology Data Exchange (ETDEWEB)

    Yalcin, Battal Gazi

    2016-06-15

    The ground state properties namely structural, mechanical, electronic and magnetic properties and thermoelectric behavior of Ru{sub 2}VZ (Z=Si, Ge and Sn) half-metallic ferromagnetic full-Heusler compounds are systematically investigated. These compounds are ferromagnetic and crystallize in the Heusler type L2{sub 1} structure (prototype: Cu{sub 2}MnAl, Fm-3m 225). This result is confirmed for Ru{sub 2}VSi and Ru{sub 2}VSn by experimental work reported by Yin and Nash using high temperature direct reaction calorimetry. The studied materials are half-metallic ferromagnets with a narrow direct band gap in the minority spin channel that amounts to 31 meV, 66 meV and 14 meV for Ru{sub 2}VSi, Ru{sub 2}VGe, and Ru{sub 2}VSn, respectively. The total spin magnetic moment (M{sub tot}) of the considered compounds satisfies a Slater–Pauling type rule for localized magnetic moment systems (M{sub tot}=(N{sub V}−24)µ{sub B}), where N{sub V}=25 is the number of valence electrons in the primitive cell. The Curie temperature within the random phase approximation (RPA) is found to be 23 K, 126 K and 447 K for Ru{sub 2}VSi, Ru{sub 2}VGe and Ru{sub 2}VSn, respectively. Semi-classical Boltzmann transport theories have been used to obtain thermoelectric constants, such as Seebeck coefficient (S), electrical (σ/τ) and thermal conductivity (κ/τ), power factor (PF) and the Pauli magnetic susceptibility (χ). ZT{sub MAX} values of 0.016 (350 K), 0.033 (380 K) and 0.063 (315 K) are achieved for Ru{sub 2}VSi, Ru{sub 2}VGe and Ru{sub 2}VSn, respectively. It is expected that the obtained results might be a trigger in future experimentally interest in this type of full-Heusler compounds. - Graphical abstract: Temperature dependence of figure of merit for Ru{sub 2}VZ (Z=Si, Ge, and Sn) compounds. - Highlights: • The ground state and thermoelectric properties are reported for the first time. • Ru{sub 2}VZ are found to be a half-metallic ferromagnetic full Heusler compound. • The

  17. Concentration data for anthropogenic organic compounds in ground water, surface water, and finished water of selected community water systems in the United States, 2002-05

    Science.gov (United States)

    Carter, Janet M.; Delzer, Gregory C.; Kingsbury, James A.; Hopple, Jessica A.

    2007-01-01

    The National Water-Quality Assessment Program of the U.S. Geological Survey began implementing Source Water-Quality Assessments (SWQAs) in 2001 that focus on characterizing the quality of source water and finished water of aquifers and major rivers used by some of the larger community water systems (CWSs) in the United States. As used for SWQA studies, source water is the raw (ambient) water collected at the supply well prior to water treatment (for ground water) or the raw (ambient) water collected from the river near the intake (for surface water), and finished water is the water that is treated and ready to be delivered to consumers. Finished water is collected before entering the distribution system. SWQA studies are conducted in two phases, and the objectives of SWQA studies are twofold: (1) to determine the occurrence and, for rivers, seasonal changes in concentrations of a broad list of anthropogenic organic compounds (AOCs) in aquifers and rivers that have some of the largest withdrawals for drinking-water supply (phase 1), and (2) for those AOCs found to occur most frequently in source water, characterize the extent to which these compounds are present in finished water (phase 2). These objectives were met for SWQA studies by collecting ground-water and surface-water (source) samples and analyzing these samples for 258 AOCs during phase 1. Samples from a subset of wells and surface-water sites located in areas with substantial agricultural production in the watershed were analyzed for 19 additional AOCs, for a total of 277 compounds analyzed for SWQA studies. The 277 compounds were classified according to the following 13 primary use or source groups: (1) disinfection by-products; (2) fumigant-related compounds; (3) fungicides; (4) gasoline hydrocarbons, oxygenates, and oxygenate degradates; (5) herbicides and herbicide degradates; (6) insecticides and insecticide degradates; (7) manufacturing additives; (8) organic synthesis compounds; (9) pavement- and

  18. Bioavailability of Compounds Susceptible to Enzymatic Oxidation Enhances Growth of Shiitake Medicinal Mushroom (Lentinus edodes) in Solid-State Fermentation with Vineyard Prunings.

    Science.gov (United States)

    Cabrera, Rosina; López-Peña, Damian; Asaff, Ali; Esqueda, Martín; Valenzuela-Soto, Elisa M

    2018-01-01

    Grapes are widely produced in northwestern Mexico, generating many wood trimmings (vineyard prunings) that have no further local use. This makes vineyard prunings a very attractive alternative for the cultivation of white-rot medicinal mushrooms such as Lentinus edodes. This type of wood can also offer a model for the evaluation of oxidative enzyme production during the fermentation process. We tested the effect of wood from vineyard prunings on the vegetative growth of and production of ligninolytic enzymes in L. edodes in solid-state fermentation and with wheat straw as the control substrate. The specific growth rate of the fungus was 2-fold higher on vineyard pruning culture (μM = 0.95 day-1) than on wheat straw culture (μM = 0.47 day-1). Laccase-specific production was 4 times higher in the vineyard prunings culture than on wheat straw (0.34 and 0.08 mU · mg protein-1 · ppm CO2-1, respectively), and manganese peroxidase production was 3.7 times higher on wheat straw culture than on vineyard prunings (2.21 and 0.60 mU · mg protein-1 · ppm CO2-1, respectively). To explain accurately these differences in growth and ligninolytic enzyme activity, methanol extracts were obtained from each substrate and characterized. Resveratrol and catechins were the main compounds identified in vineyard prunings, whereas epigallocatechin was the only one detected in wheat straw. Compounds susceptible to enzymatic oxidation are more bioavailable in vineyard prunings than in wheat straw, and thus the highest L. edodes growth rate is associated with the presence of these compounds.

  19. Excitations and possible bound states in the S = 1/2 alternating chain compound (VO)2P2O7

    International Nuclear Information System (INIS)

    Tennant, D.A.; Nagler, S.E.; Sales, B.C.

    1997-01-01

    Magnetic excitations in an array of (VO) 2 P 2 O 7 single crystals have been measured using inelastic neutron scattering. Until now, (VO) 2 P 2 O 7 has been thought of as a two-leg antiferromagnetic Heisenberg spin ladder with chains running in the a-direction. The present results show unequivocally that (VO) 2 P 2 O 7 is best described as an alternating spin-chain directed along the crystallographic b-direction. In addition to the expected magnon with magnetic zone-center energy gap Δ = 3.1 meV, a second excitation is observed at an energy just below 2Δ. The higher mode may be a triplet two-magnon bound state. Numerical results in support of bound modes are presented

  20. Photonics of a conjugated organometallic Pt-Ir polymer and its model compounds exhibiting hybrid CT excited states.

    Science.gov (United States)

    Soliman, Ahmed M; Fortin, Daniel; Zysman-Colman, Eli; Harvey, Pierre D

    2012-04-13

    Trans- dichlorobis(tri-n-butylphosphine)platinum(II) reacts with bis(2- phenylpyridinato)-(5,5'-diethynyl-2,2'-bipyridine)iridium(III) hexafluorophosphate to form the luminescent conjugated polymer poly[trans-[(5,5'-ethynyl-2,2'-bipyridine)bis(2- phenylpyridinato)-iridium(III)]bis(tri-n-butylphosphine)platinum(II)] hexafluorophosphate ([Pt]-[Ir])n. Gel permeation chromatography indicates a degree of polymerization of 9 inferring the presence of an oligomer. Comparison of the absorption and emission band positions and their temperature dependence, emission quantum yields, and lifetimes with those for models containing only the [Pt] or the [Ir] units indicates hybrid excited states including features from both chromophores. Copyright © 2012 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  1. Tunneling in green tea: understanding the antioxidant activity of catechol-containing compounds. A variational transition-state theory study.

    Science.gov (United States)

    Tejero, Ismael; Gonzalez-García, Núria; Gonzalez-Lafont, Angels; Lluch, José M

    2007-05-09

    The catechol functionality present in the catechins is responsible for the protective effects exerted by green tea against a wide range of human diseases. High-level electronic structure calculations and canonical variational transition-state theory including multidimensional tunneling corrections have allowed us to understand the key factors of the antioxidant effectiveness of the catechol group. This catechol group forms two hydrogen bonds with the two oxygen atoms of the lipid peroxyl radical, leading to a very compact reactant complex. This fact produces an extremely narrow adiabatic potential-energy profile corresponding to the hydrogen abstraction by the peroxyl radical, which makes it possible for a huge tunneling contribution to take place. So, quantum-mechanical tunneling highly increases the corresponding rate constant value, in such a way that catechins become able to trap the lipid peroxyl radicals in a dominant competition with the very damaging free-radical chain-lipid peroxidation reaction.

  2. Chemical-specific screening criteria for interpretation of biomonitoring data for volatile organic compounds (VOCs)--application of steady-state PBPK model solutions.

    Science.gov (United States)

    Aylward, Lesa L; Kirman, Chris R; Blount, Ben C; Hays, Sean M

    2010-10-01

    The National Health and Nutrition Examination Survey (NHANES) generates population-representative biomonitoring data for many chemicals including volatile organic compounds (VOCs) in blood. However, no health or risk-based screening values are available to evaluate these data from a health safety perspective or to use in prioritizing among chemicals for possible risk management actions. We gathered existing risk assessment-based chronic exposure reference values such as reference doses (RfDs), reference concentrations (RfCs), tolerable daily intakes (TDIs), cancer slope factors, etc. and key pharmacokinetic model parameters for 47 VOCs. Using steady-state solutions to a generic physiologically-based pharmacokinetic (PBPK) model structure, we estimated chemical-specific steady-state venous blood concentrations across chemicals associated with unit oral and inhalation exposure rates and with chronic exposure at the identified exposure reference values. The geometric means of the slopes relating modeled steady-state blood concentrations to steady-state exposure to a unit oral dose or unit inhalation concentration among 38 compounds with available pharmacokinetic parameters were 12.0 microg/L per mg/kg-d (geometric standard deviation [GSD] of 3.2) and 3.2 microg/L per mg/m(3) (GSD=1.7), respectively. Chemical-specific blood concentration screening values based on non-cancer reference values for both oral and inhalation exposure range from 0.0005 to 100 microg/L; blood concentrations associated with cancer risk-specific doses at the 1E-05 risk level ranged from 5E-06 to 6E-02 microg/L. The distribution of modeled steady-state blood concentrations associated with unit exposure levels across VOCs may provide a basis for estimating blood concentration screening values for VOCs that lack chemical-specific pharmacokinetic data. The screening blood concentrations presented here provide a tool for risk assessment-based evaluation of population biomonitoring data for VOCs and

  3. Nanoscale formation of new solid-state compounds by topochemical effects: The interfacial reactions ZnO with Al2O3 as a model system

    International Nuclear Information System (INIS)

    Pin, Sonia; Ghigna, Paolo; Spinolo, Giorgio; Quartarone, Eliana; Mustarelli, Piercarlo; D'Acapito, Francesco; Migliori, Andrea; Calestani, Gianluca

    2009-01-01

    The chemical reactivity of thin layers (ca. 10 nm thick) of ZnO deposited onto differently oriented Al 2 O 3 single crystals has been investigated by means of atomic force microscopy inspections and X-ray absorption spectroscopy at the Zn-K edge. The (0001) ZnO -parallel (112-bar0) sapphire interface yields the ZnAl 2 O 4 spinel and a quite stable film morphology. Instead, the (112-bar0) ZnO -parallel (11-bar02) sapphire and (0001) ZnO -parallel (0001) sapphire interfaces give origin to a new compound (or, possibly, even two new compounds), whose chemical nature is most likely that of a ZnO/Al 2 O 3 phase, with still unknown composition and crystal structure. In addition, in the last two cases, films collapse into prismatic twins of ca. 1 μm in dimension. These experimental findings demonstrate that in a solid-state reaction, the topotactical relationships between the reacting solids are of crucial importance not only in determining the kinetic and mechanisms of the process in its early stages, but even the chemical nature of the product. - Graphical abstract: EXAFS Fourier transforms and morphology of different reactive interfaces between ZnO and Al 2 O 3 .

  4. COMPETITIVE DYSFUNCTION: ANALYSIS OF THE LEVEL OF THE GAPS, BY THE SERVQUAL MODEL IN COMPOUNDING PHARMACIES THE MUNICIPALITIES OF SÃO PAULO STATE.

    Directory of Open Access Journals (Sweden)

    Rubens Cukier

    2013-06-01

    Full Text Available This research aimed to investigate the application of SERVQUAL model, the level of gaps in the services offered by compounding pharmacies in the cities of São Paulo state. We have worked with a sample of 306 respondents comprised of owners, pharmacists responsible and clients related to fifteen from compounding pharmacies located in Campo Limpo Paulista, Jundiaí, Valinhos and Vinhedo. This work sought to assess the extent of gaps relating to competitive dysfunction, strategic dysfunction and operational dysfunction, to determine which disorders are significant, and what are the results of service provided in relation to competitive factors valued by customers. This research has dealt with qualitative and quantitative data, the data collection instrument was a questionnaire validated model as SERVQUAL, published by Parasuraman et al. (1988, aimed at measuring the quality of service, consisting of five dimensions: tangibility, reliability, responsiveness, assurance and empathy. The techniques of statistical analysis of nature were expressed in software BioEstatV.05. The results showed that there is a strong adherence of the samples and that the dimension of quality that stood out was the reliability and regarding dysfunctions surveyed indicate a perfect interaction between agents and that there is significant competitive dysfunction.

  5. Chemical state analysis of iron(III) compounds precipitated homogeneously from solutions containing urea by means of Moessbauer spectrometry and x-ray diffractometry

    International Nuclear Information System (INIS)

    Ujihira, Yusuke; Ohyabu, Matashige; Murakami, Tetsuro; Horie, Tsuyoshi.

    1978-01-01

    Chemical states of iron(III) compounds, precipitated homogeneously by heating the iron(III) salt solution at 363 K in the presence of urea, was studied by means of Moessbauer spectrometry and X-ray diffractometry. The pH-time relation of urea hydrolysis revealed that the precipitation process from homogeneous solution is identical to the hydrolysis of iron(III) ion at pH around 2 under the homogeneous supply of OH - ion, which is generated by hydrolysis of urea. Accordingly, iron(III) oxide hydroxide or similar compounds to the hydrolysis products of iron(III) ion was precipitated by the precipitation from homogeneous solution methods. Akaganeite (β-FeOOH) was crystallized from 0.1 M iron(III) chloride solution. Goethite(α-FeOOH) and hematite(α-Fe 2 O 3 ) was precipitated from 0.1 M iron(III) nitrate solution, vigorous liberation of OH - ion favoring the crystallization of hematite. The addition of chloride ion to the solution resulted in the formation of akaganeite. Basic salt of iron sulfate[NH 4 Fe 3 (OH) 6 (SO 4 ) 2 ] and goethite were formed from 0.1 M iron(III) sulfate solution, the former being obtained in the more moderate condition of the urea hydrolysis ( 363 K). (author)

  6. Solid state synthesis, structural, physicochemical and optical properties of an inter-molecular compound: 2-hydroxy-1, 2-diphenylethanone-4-nitro-o-phenylenediamine system

    Science.gov (United States)

    Rai, U. S.; Singh, Manjeet; Rai, R. N.

    2017-09-01

    The phase diagram of 2-hydroxy-1, 2-diphenylethanone (HDPE)-4-nitro-o-phenylenediamine (NOPDA) system, determined by the thaw-melt method, gives two eutectics E1 (m p = 66.0 °C) and E2 (m p = 155.0 °C) with 0.30 and 0.55 mol fractions of NOPDA, respectively, and an 1:1 inter-molecular compound (IMC) (m p 162.0 °C). This IMC was synthesized by adopting the green synthetic method of solid state reaction. While its formation and structure were confirmed by the X-ray diffraction and spectroscopic methods, the ORTEP view gives mode of crystal packing, C‒H…O, C‒H…N, π-π stacking and the inter-molecular hydrogen bonding in the compound. The single crystal of the IMC shows 53% transmission and emits significantly higher dual fluorescence, and the band gap was computed to be 3.04 eV. The values of solubility of the IMC, measured in the temperature range 304-322 K, satisfy the mole fraction (X) and temperature equation: Xeq= 5.1324 × 10-7 e 0.01356T.

  7. Fission via compound states and JπK A. Bohr's channels: what we can learn from recent studies with slow neutrons

    Directory of Open Access Journals (Sweden)

    Furman W.I.

    2012-02-01

    Full Text Available Last data on angular correlations of fission fragments from slow (s-wave neutron induced binary fission of spin-aligned nuclei 235U are discussed in the context of JπK A. Bohrs channels. Special attention is paid to K = 0 channel. Reasons for its suppression are specified for compound nucleus states of negative parity. A brief overview of recent data on T-odd angular correlations in ternary and binary (with emission of a third particle, a neutron or γ-quantum fission induced by slow polarized neutrons is presented. On the basis of the developed theoretical approach it is shown that a valuable information on JπK fission channels at scission point can be inferred from these T-odd angular correlations.

  8. sup 3 sup 1 P high resolution solid state NMR studies of phosphoorganic compounds of biological interest

    CERN Document Server

    Potrzebowski, M J; Kazmierski, S

    2001-01-01

    In this review several applications of sup 3 sup 1 P high resolution solid state NMR spectroscopy in structural studies of bioorganic samples is recorded. The problem of pseudopolymorphism of bis[6-O,6'-O-(1,2:3,4diisopropylidene-alpha-D-galactopyranosyl) phosphothionyl] disulfide (1) and application of sup 3 sup 1 P C/MAS experiment to investigate of this phenomenon is discussed. The influence of weak C-H--S intermolecular contacts on molecular packing of 1,6-anhydro-2-O-tosyl-4-S- (5,5-dimethyl-2-thioxa-1,3,2-dioxaphosphophorinan-2-= yl)-beta-D-glucopyranose (2) and S sub P , R sub P diastereomers of deoxyxylothymidyl-3'-O-acetylthymidyl (3',5')-O-(2-cyanoethyl) phosphorothioate (3) and their implication on sup 3 sup 1 P NMR spectra is shown. The final part of review describes the recent progress in structural studies of O-phosphorylated amino acids (serine, threonine, tyrosine), relationship between molecular structure and sup 3 sup 1 P chemical shift parameters delta sub i sub i and influence of hydrogen ...

  9. Compounding around the world.

    Science.gov (United States)

    Vail, Jane

    2008-01-01

    Pharmaceutical compounding is universal in its prevalence. Variations in disease patterns, culture, and tradition; the role of government in health care; and the availability of essential equipment and required agents shape a compounding profile unique to each country worldwide. In the following reflections, pharmacists form Argentina, Belgium, Colombia, Germany, Puerto Rico, Spain, and the United States describe their experiences in the compounding setting unique to their practice and their nation. The unifying theme in their comments is the dedication of each contributor to enabling recovery and ensuring the good health of his or her clients.

  10. Organolanthanoid compounds

    International Nuclear Information System (INIS)

    Schumann, H.

    1984-01-01

    Up to little more than a decade ago organolanthanoid compounds were still a curiosity. Apart from the description of an isolated number of cyclopentadienyl and indenyl derivatives, very few significant contributions had been made to this interesting sector of organometallic chemistry. However, subsequent systematic studies using modern preparative and analytical techniques, together with X-ray single crystal structure determinations, enabled the isolation and characterization of a large number of very interesting homoleptic and heteroleptic compounds in which the lanthanoid is bound to hydrogen, to substituted or unsubstituted cyclopentadienyl groups, to allyl or alkynyl groups, or even to phosphorus ylides, trimethylsilyl, and carbonylmetal groups. These compounds, which are all extremely sensitive to oxygen and water, open up new possibilities in the field of catalysis and have great potential in organic synthesis - as recent studies with pentamethylcyclopentadienyl derivatives, organolanthanoid(II) compounds, and hexamethyllanthanoid complexes have already shown. (orig.) [de

  11. Effects of a natural extract from Mangifera indica L, and its active compound, mangiferin, on energy state and lipid peroxidation of red blood cells.

    Science.gov (United States)

    Rodríguez, Janet; Di Pierro, Donato; Gioia, Magda; Monaco, Susanna; Delgado, René; Coletta, Massimiliano; Marini, Stefano

    2006-09-01

    Following oxidative stress, modifications of several biologically important macromolecules have been demonstrated. In this study we investigated the effect of a natural extract from Mangifera indica L (Vimang), its main ingredient mangiferin and epigallocatechin gallate (EGCG) on energy metabolism, energy state and malondialdehyde (MDA) production in a red blood cell system. Analysis of MDA, high energy phosphates and ascorbate was carried out by high performance liquid chromatography (HPLC). Under the experimental conditions, concentrations of MDA and ATP catabolites were affected in a dose-dependent way by H2O2. Incubation with Vimang (0.1, 1, 10, 50 and 100 microg/mL), mangiferin (1, 10, 100 microg/mL) and EGCG (0.01, 0.1, 1, 10 microM) significantly enhances erythrocyte resistance to H2O2-induced reactive oxygen species production. In particular, we demonstrate the protective activity of these compounds on ATP, GTP and total nucleotides (NT) depletion after H2O2-induced damage and a reduction of NAD and ADP, which both increase because of the energy consumption following H2O2 addition. Energy charge potential, decreased in H2O2-treated erythrocytes, was also restored in a dose-dependent way by these substances. Their protective effects might be related to the strong free radical scavenging ability described for polyphenols.

  12. Biomass burning emissions and potential air quality impacts of volatile organic compounds and other trace gases from temperate fuels common in the United States

    Science.gov (United States)

    Gilman, J. B.; Lerner, B. M.; Kuster, W. C.; Goldan, P. D.; Warneke, C.; Veres, P. R.; Roberts, J. M.; de Gouw, J. A.; Burling, I. R.; Yokelson, R. J.

    2015-08-01

    A comprehensive suite of instruments was used to quantify the emissions of over 200 organic gases, including methane and volatile organic compounds (VOCs), and 9 inorganic gases from 56 laboratory burns of 18 different biomass fuel types common in the southeastern, southwestern, or northern United States. A gas chromatograph-mass spectrometer (GC-MS) provided extensive chemical detail of discrete air samples collected during a laboratory burn and was complemented by real-time measurements of organic and inorganic species via an open-path Fourier transform infrared spectrometer (OP-FTIR) and 3 different chemical ionization-mass spectrometers. These measurements were conducted in February 2009 at the U.S. Department of Agriculture's Fire Sciences Laboratory in Missoula, Montana. The relative magnitude and composition of the gases emitted varied by individual fuel type and, more broadly, by the 3 geographic fuel regions being simulated. Emission ratios relative to carbon monoxide (CO) were used to characterize the composition of gases emitted by mass; reactivity with the hydroxyl radical, OH; and potential secondary organic aerosol (SOA) precursors for the 3 different US fuel regions presented here. VOCs contributed less than 0.78 ± 0.12 % of emissions by mole and less than 0.95 ± 0.07 % of emissions by mass (on average) due to the predominance of CO2, CO, CH4, and NOx emissions; however, VOCs contributed 70-90 (±16) % to OH reactivity and were the only measured gas-phase source of SOA precursors from combustion of biomass. Over 82 % of the VOC emissions by mole were unsaturated compounds including highly reactive alkenes and aromatics and photolabile oxygenated VOCs (OVOCs) such as formaldehyde. OVOCs contributed 57-68 % of the VOC mass emitted, 42-57 % of VOC-OH reactivity, and aromatic-OVOCs such as benzenediols, phenols, and benzaldehyde were the dominant potential SOA precursors. In addition, ambient air measurements of emissions from the Fourmile Canyon Fire

  13. Multipurpose Compound

    Science.gov (United States)

    1983-01-01

    Specially formulated derivatives of an unusual basic compound known as Alcide may be the answer to effective treatment and prevention of the disease bovine mastitis, a bacterial inflammation of a cow's mammary gland that results in loss of milk production and in extreme cases, death. Manufactured by Alcide Corporation the Alcide compound has killed all tested bacteria, virus and fungi, shortly after contact, with minimal toxic effects on humans or animals. Alcide Corporation credits the existence of the mastitis treatment/prevention products to assistance provided the company by NERAC, Inc.

  14. Systems and methods for solar energy storage, transportation, and conversion utilizing photochemically active organometallic isomeric compounds and solid-state catalysts

    Science.gov (United States)

    Vollhardt, K. Peter C.; Segalman, Rachel A; Majumdar, Arunava; Meier, Steven

    2015-02-10

    A system for converting solar energy to chemical energy, and, subsequently, to thermal energy includes a light-harvesting station, a storage station, and a thermal energy release station. The system may include additional stations for converting the released thermal energy to other energy forms, e.g., to electrical energy and mechanical work. At the light-harvesting station, a photochemically active first organometallic compound, e.g., a fulvalenyl diruthenium complex, is exposed to light and is photochemically converted to a second, higher-energy organometallic compound, which is then transported to a storage station. At the storage station, the high-energy organometallic compound is stored for a desired time and/or is transported to a desired location for thermal energy release. At the thermal energy release station, the high-energy organometallic compound is catalytically converted back to the photochemically active organometallic compound by an exothermic process, while the released thermal energy is captured for subsequent use.

  15. Polymer compound

    NARCIS (Netherlands)

    1995-01-01

    A Polymer compound comprising a polymer (a) that contains cyclic imidesgroups and a polymer (b) that contains monomer groups with a 2,4-diamino-1,3,5-triazine side group. According to the formula (see formula) whereby themole percentage ratio of the cyclic imides groups in the polymer compoundwith

  16. Mesoionic Compounds

    Indian Academy of Sciences (India)

    Organic Chemistry. Kamatak University,. Dharwad. Her research interests are synthesis, reactions and synthetic utility of sydnones. She is currently working on electrochemical and insecticidal/antifungal activities for some of these compounds. Keywords. Aromaticity, mesoionic hetero- cycles, sydnones, tandem re- actions.

  17. Perfluorinated compounds in human breast milk from several Asian countries, and in infant formula and dairy milk from the United States.

    Science.gov (United States)

    Tao, Lin; Ma, Jing; Kunisue, Tatsuya; Libelo, E Laurence; Tanabe, Shinsuke; Kannan, Kurunthachalam

    2008-11-15

    The occurrence of perfluorinated compounds (PFCs) in human blood is known to be widespread; nevertheless, the sources of exposure to humans, including infants, are not well understood. In this study, breast milk collected from seven countries in Asia was analyzed (n=184) for nine PFCs, including perfluorooctanesulfonate (PFOS) and perfluorooctanoate (PFOA). In addition, five brands of infant formula (n=21) and 11 brands of dairy milk (n=12) collected from retail stores in the United States were analyzed, for comparison with PFC concentrations previously reported for breast milk from the U.S. PFOS was the predominant PFC detected in almost all Asian breast milk samples, followed by perfluorohexanesulfonate (PFHxS) and PFOA. Median concentrations of PFOS in breast milk from Asian countries varied significantly;the lowest concentration of 39.4 pg/mL was found in India, and the highest concentration of 196 pg/mL was found in Japan. The measured concentrations were similarto or less than the concentrations previously reported from Sweden, the United States, and Germany (median, 106-166 pg/mL). PFHxS was found in more than 70% of the samples analyzed from Japan, Malaysia, Philippines, and Vietnam, at mean concentrations ranging from 6.45 (Malaysia) to 15.8 (Philippines) pg/mL PFOA was found frequently only in samples from Japan; the mean concentration for that country was 77.7 pg/mL. None of the PFCs were detected in the infant-formula or dairy-milk samples from the U.S. except a few samples that contained concentrations close to the limit of detection. The estimated average daily intake of PFOS by infants from seven Asian countries, via breastfeeding, was 11.8 +/- 10.6 ng/kg bw/ day; this value is 7-12 times higher than the estimated adult dietary intakes previously reported from Germany, Canada, and Spain. The average daily intake of PFOA by Japanese infants was 9.6 +/- 4.9 ng/kg bw/day, a value 3-10 times greater than the estimated adult dietary intakes reported from

  18. State diagram of U-Al-Si as a basis for analysis of the processes in nuclear fuel compositions based on U(Al, Si)3 and U3Si compounds

    International Nuclear Information System (INIS)

    Chebotarev, N.T.; Konovalov, L.N.; Zhmak, V.A.; Chebotarev, Ya.N.

    1996-01-01

    Results of studies into the Al-UAl 3 -USi 3 -Si of the U-Al-Si ternary system are presented. It is established that phase equilibrium between the intermetallic compound U(Al, Si) 3 and the aluminium-silicon alloys may be presented in form of conodes on the isothermal cross-section of the state diagram. It is shown that the U(Al, Si) 3 intermetallic compound, containing up to 6.5 at.% silicon, interacts both with liquid and solid aluminium with the U(Al, Si) 4 phase formation [ru

  19. Compound odontoma

    Directory of Open Access Journals (Sweden)

    Monica Yadav

    2012-01-01

    Full Text Available Odontomas have been extensively reported in the dental literature, and the term refers to tumors of odontogenic origin. Though the exact etiology is still unknown, the postulated causes include: local trauma, infection, inheritance and genetic mutation. The majority of the lesions are asymptomatic; however, may be accompanied with pain and swelling as secondary complaints in some cases. Here, we report a case of a compound odontome in a 14 year old patient.

  20. State-dependent compound inhibition of Nav1.2 sodium channels using the FLIPR Vm dye: on-target and off-target effects of diverse pharmacological agents.

    Science.gov (United States)

    Benjamin, Elfrida R; Pruthi, Farhana; Olanrewaju, Shakira; Ilyin, Victor I; Crumley, Gregg; Kutlina, Elena; Valenzano, Kenneth J; Woodward, Richard M

    2006-02-01

    Voltage-gated sodium channels (NaChs) are relevant targets for pain, epilepsy, and a variety of neurological and cardiac disorders. Traditionally, it has been difficult to develop structure-activity relationships for NaCh inhibitors due to rapid channel kinetics and state-dependent compound interactions. Membrane potential (Vm) dyes in conjunction with a high-throughput fluorescence imaging plate reader (FLIPR) offer a satisfactory 1st-tier solution. Thus, the authors have developed a FLIPR Vm assay of rat Nav1.2 NaCh. Channels were opened by addition of veratridine, and Vm dye responses were measured. The IC50 values from various structural classes of compounds were compared to the resting state binding constant (Kr)and inactivated state binding constant (Ki)obtained using patch-clamp electrophysiology (EP). The FLIPR values correlated with Ki but not Kr. FLIPRIC50 values fell within 0.1-to 1.5-fold of EP Ki values, indicating that the assay generally reports use-dependent inhibition rather than resting state block. The Library of Pharmacologically Active Compounds (LOPAC, Sigma) was screened. Confirmed hits arose from diverse classes such as dopamine receptor antagonists, serotonin transport inhibitors, and kinase inhibitors. These data suggest that NaCh inhibition is inherent in a diverse set of biologically active molecules and may warrant counterscreening NaChs to avoid unwanted secondary pharmacology.

  1. Solid state structural investigations of the bis(chalcone) compound with single crystal X-ray crystallography, DFT, gamma-ray spectroscopy and chemical spectroscopy methods

    Science.gov (United States)

    Yakalı, Gül; Biçer, Abdullah; Eke, Canel; Cin, Günseli Turgut

    2018-04-01

    A bis(chalcone), (2E,6E)-2,6-bis((E)-3phenylallidene)cyclohexanone, was characterized by 1H NMR, 13C NMR, FTIR, UV-Vis spectroscopy, gamma-ray spectroscopy and single crystal X- ray structural analysis. The optimized molecular structure of the compound is calculated using DFT/B3LYP with 6-31G (d,p) level. The calculated geometrical parameters are in good agreement with the experimental data obtained from our reported X-ray structure. The powder and single crystal compounds were gama-irradiated using clinical electron linear accelerator and 60Co gamma-ray source, respectively. Spectral studies (1H NMR, 13C NMR, FTIR and UV-Vis) of powder chalcone compound were also investigated before and after irradiation. Depending on the irradiation notable changes were observed in spectral features powder sample. Single crystal X-ray diffraction investigation shows that both unirradiated and irradiated single crystal samples crystallizes in a orthorhombic crystal system in the centrosymmetric space group Pbcn and exhibits an C-H..O intramolecular and intermolecular hydrogen bonds. The crystal packing is stabilised by strong intermolecular bifurcate C-H..O hydrogen bonds and π…π stacking interactions. The asymmetric unit of the title compound contains one-half of a molecule. The other half of the molecule is generated with (1-x,y,-3/2-z) symmetry operator. The molecule is almost planar due to having π conjugated system of chalcones. However, irradiated single crystal compound showed significant changes lattice parameters, crystal volume and density. According to results of gamma-ray spectroscopy, radioactive elements of powder compound which are 123Sb(n,g),124Sb,57Fe(g,p),56Mn, 55Mn(g,n), and 54Mn were determined using photoactivation analysis. However, the most intensive gamma-ray energy signals are 124Sb.

  2. Tripolar Mesoionic Compounds

    OpenAIRE

    Shuki, Araki; Jiro, Mizuya; Naomitsu, Aoyama; Yasuo, Butsugan

    1995-01-01

    Tripolar mesoionic compounds have been synthesized by the reaction of (1,3-diphenyltetrazol-5-ylio)cyclopentadienide (or -indenide) with the dicationic ether salts derived from mesoionic olates and trifluoromethanesulfonic anhydride. The structures of the newly prepared mesoionic systems are discussed on the basis of spectroscopic analysis; it is shown that the tripolar [tetrazolium-cyclopentadienide (or indenide)-tetrazolium] canonical structure contributes significantly to the ground state ...

  3. Compound odontoma

    Directory of Open Access Journals (Sweden)

    José Marcelo Vargas Pinto

    2008-01-01

    Full Text Available Odontomas are the most common types of odontogenic tumors, as they are considered more as a developmental anomaly (hamartoma than as a true neoplasia. The aim of the present study is to describe a clinical case of compound odontoma, analyzing its most commonsigns, its region of location, the decade of life and patient’s gender, disorders that may occur as well as the treatment proposed. In order to attain this objective, the method was description of the present clinical case and bibliographic revision, arriving at the result that the treatment for this type of lesion invariably is surgical removal (enucleation and curettage and the prognosis is excellent. The surgical result was followed up in the post-operative period by radiographic exam, and it was possible to conclude that there was complete cicatrization and tissue repair.

  4. Ten years with the CPA (Cubic-Plus-Association) equation of state. Part 1. Pure compounds and self-associating systems

    DEFF Research Database (Denmark)

    Kontogeorgis, Georgios; Michelsen, Michael Locht; Folas, Georgios

    2006-01-01

    , glycols), glycol regeneration and gas dehydration units, oxygenate additives in gasoline, alcohol separation, etc. This manuscript, which is the first of a series of two papers, offers a review of previous applications and illustrates current focus areas related to the estimation of pure compound...

  5. The current state of knowledge on the neuroactive compounds that affect the development, mating and reproduction of spiders (Araneae) compared to insects.

    Science.gov (United States)

    Sawadro, Marta; Bednarek, Agata; Babczyńska, Agnieszka

    2017-06-01

    The neuroendocrine system of insects, including the presence of the main neuroactive compounds, and their role in ontogenesis are probably best understood of all the arthropods. Development, metamorphosis, the maturation of the gonads, vitellogenesis and egg production are regulated by hormones (juvenile hormones, ecdysteroids) and neuropeptides. However, knowledge about their presence and functions in spiders is fragmentary. In this paper, we present a summary of the current data about the juvenile hormones, ecdysteroids and neuropeptides in selected groups of arthropods, with particular emphasis on spiders. This is the first article that takes into account the occurrence, action and role of hormones and neuropeptides in spiders. In addition, the suggestions for possible ways to study these compounds in Araneomorphae spiders are unique and cannot be found in the arachnological literature.

  6. Compound Wiretap Channels

    Directory of Open Access Journals (Sweden)

    Shlomo Shamai (Shitz

    2009-01-01

    Full Text Available This paper considers the compound wiretap channel, which generalizes Wyner's wiretap model to allow the channels to the (legitimate receiver and to the eavesdropper to take a number of possible states. No matter which states occur, the transmitter guarantees that the receiver decodes its message and that the eavesdropper is kept in full ignorance about the message. The compound wiretap channel can also be viewed as a multicast channel with multiple eavesdroppers, in which the transmitter sends information to all receivers and keeps the information secret from all eavesdroppers. For the discrete memoryless channel, lower and upper bounds on the secrecy capacity are derived. The secrecy capacity is established for the degraded channel and the semideterministic channel with one receiver. The parallel Gaussian channel is further studied. The secrecy capacity and the secrecy degree of freedom (s.d.o.f. are derived for the degraded case with one receiver. Schemes to achieve the s.d.o.f. for the case with two receivers and two eavesdroppers are constructed to demonstrate the necessity of a prefix channel in encoder design. Finally, the multi-antenna (i.e., MIMO compound wiretap channel is studied. The secrecy capacity is established for the degraded case and an achievable s.d.o.f. is given for the general case.

  7. Compound Wiretap Channels

    Directory of Open Access Journals (Sweden)

    Kramer Gerhard

    2009-01-01

    Full Text Available Abstract This paper considers the compound wiretap channel, which generalizes Wyner's wiretap model to allow the channels to the (legitimate receiver and to the eavesdropper to take a number of possible states. No matter which states occur, the transmitter guarantees that the receiver decodes its message and that the eavesdropper is kept in full ignorance about the message. The compound wiretap channel can also be viewed as a multicast channel with multiple eavesdroppers, in which the transmitter sends information to all receivers and keeps the information secret from all eavesdroppers. For the discrete memoryless channel, lower and upper bounds on the secrecy capacity are derived. The secrecy capacity is established for the degraded channel and the semideterministic channel with one receiver. The parallel Gaussian channel is further studied. The secrecy capacity and the secrecy degree of freedom ( are derived for the degraded case with one receiver. Schemes to achieve the for the case with two receivers and two eavesdroppers are constructed to demonstrate the necessity of a prefix channel in encoder design. Finally, the multi-antenna (i.e., MIMO compound wiretap channel is studied. The secrecy capacity is established for the degraded case and an achievable is given for the general case.

  8. Isotopically modified compounds

    International Nuclear Information System (INIS)

    Kuruc, J.

    2009-01-01

    In this chapter the nomenclature of isotopically modified compounds in Slovak language is described. This chapter consists of following parts: (1) Isotopically substituted compounds; (2) Specifically isotopically labelled compounds; (3) Selectively isotopically labelled compounds; (4) Non-selectively isotopically labelled compounds; (5) Isotopically deficient compounds.

  9. Compound semiconductor device modelling

    CERN Document Server

    Miles, Robert

    1993-01-01

    Compound semiconductor devices form the foundation of solid-state microwave and optoelectronic technologies used in many modern communication systems. In common with their low frequency counterparts, these devices are often represented using equivalent circuit models, but it is often necessary to resort to physical models in order to gain insight into the detailed operation of compound semiconductor devices. Many of the earliest physical models were indeed developed to understand the 'unusual' phenomena which occur at high frequencies. Such was the case with the Gunn and IMPATI diodes, which led to an increased interest in using numerical simulation methods. Contemporary devices often have feature sizes so small that they no longer operate within the familiar traditional framework, and hot electron or even quantum­ mechanical models are required. The need for accurate and efficient models suitable for computer aided design has increased with the demand for a wider range of integrated devices for operation at...

  10. Assigning Oxidation States to Organic Compounds via Predictions from X-Ray Photoelectron Spectroscopy: A Discussion of Approaches and Recommended Improvements

    Science.gov (United States)

    Gupta, Vipul; Ganegoda, Hasitha; Engelhard, Mark H.; Terry, Jeff; Linford, Matthew R.

    2014-01-01

    The traditional assignment of oxidation states to organic molecules is problematic. Accordingly, in 1999, Calzaferri proposed a simple and elegant solution that is based on the similar electronegativities of carbon and hydrogen: hydrogen would be assigned an oxidation state of zero when bonded to carbon. Here, we show that X-ray photoelectron…

  11. EPR investigations on technetium compounds

    International Nuclear Information System (INIS)

    Abram, U.; Munze, R.; Kirmse, R.; Stach, J.

    1986-01-01

    Stimulated by the widespread use of the isotope /sup 99m/Tc in the field of nuclear medicine, there has been a substantial growth of interest in the chemistry of this man-made element. A particular need emerges for analytical methods allowing solution investigations of coordination compounds of technetium with low substance use. Considering these facts, Electron Paramagnetic Resonance Spectroscopy (EPR) appears to be a very suitable method because only very small amounts of the compounds are needed (lower than 1 mg). The resulting spectra give information regarding the valence state, symmetry and bonding properties of the compounds under study

  12. Structure and oxidation states of giant unit cell compound Dy{sub 117+x}Fe{sub 57-y}Sn{sub 112-z}

    Energy Technology Data Exchange (ETDEWEB)

    Brown, Alexander T.; Barron, Keaton G.; Salazar, Bryan G.; Kirby, Parker; McCandless, Gregory T. [Department of Chemistry and Biochemistry, University of Texas, Dallas, Richardson, TX (United States); Walker, Amy V.; Chan, Julia Y. [Department of Chemistry and Biochemistry, University of Texas, Dallas, Richardson, TX (United States); Department of Materials Science and Engineering, University of Texas, Dallas, Richardson, TX (United States)

    2017-12-13

    Motivated by the complex structure and properties of giant unit cell intermetallic compounds, a new isostructural Fe analogue of the Dy{sub 117}Co{sub 57}Sn{sub 112} structure type was synthesized. Single crystals of Dy{sub 122}Fe{sub 55}Sn{sub 101} were grown at 1260 C via a Dy-Fe eutectoid flux. The Fe analogue also adopts the space group Fm anti 3m with lattice parameters a = 29.914(9) Aa, V = 26769(23) Aa{sup 3}, and Z = 4. Dy{sub 122}Fe{sub 55}Sn{sub 101} has a large cell volume, structural complexity, and consists of seven Dy, eight Fe, and ten Sn unique crystallographic sites. There are fifteen fully occupied atomic positions, three unique pairs of alternating atomic positions with positional disorder, and seven partially occupied atomic sites. Within this complex unit cell, only approximately half the unique atomic positions are fully occupied with the remainder of the atoms either positionally or occupationally disordered. X-ray photoelectron spectroscopy indicates that the compound contains Dy{sup 3+}, Fe{sup 0}, Fe{sup 2+}, Sn{sup 0}, and Sn{sup 4+}. (copyright 2017 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

  13. Synthesis, characterization, and thermochemistry of the solid state coordination compound Zn(Nic){sub 2} . H{sub 2}O(s) (Nic = nicotinic acid)

    Energy Technology Data Exchange (ETDEWEB)

    Di Youying [College of Chemistry and Chemical Engineering, Liaocheng University, Liaocheng 252059, Shandong (China)], E-mail: yydi@lcu.edu.cn; Hong Yuanping; Kong Yuxia; Yang Weiwei [College of Chemistry and Chemical Engineering, Liaocheng University, Liaocheng 252059, Shandong (China); Tan Zhicheng [Thermochemistry Laboratory, Dalian Institute of Chemical Physics, Chinese Academy of Sciences, Dalian 116023 (China)

    2009-01-15

    A novel compound, viz. zinc nicotinate monohydrate, was synthesized by the method of room temperature solid phase synthesis. The techniques of FT-IR chemical and elemental analyses and X-ray powder diffraction were applied to characterise the structure and composition of the complex. In accordance with Hess' law, a thermochemical cycle was designed and the enthalpy change of the solid phase reaction of nicotinic acid with hydrated zinc acetate was determined to be {delta}{sub r}H{sub m}{sup 0}=(46.71{+-}0.21)kJ.mol{sup -1} by use of an isoperibol solution-reaction calorimeter. The standard molar enthalpy of formation of the title complex Zn(Nic){sub 2} . H{sub 2}O(s) was calculated as -(1062.3 {+-} 2.0) kJ . mol{sup -1} by use of the enthalpies of dissolution and other auxiliary thermodynamic data.

  14. Crystal structure and magnetic state of pseudo-binary intermetallic compounds Ho(Cosub(1-x)Nisub(x))sub(5)

    International Nuclear Information System (INIS)

    Chuev, V.V.; Kelarev, V.V.; Pirogov, A.N.; Sidorov, S.K.; Koryakova, V.S.

    1983-01-01

    In the range of 1.8-1000 K intermetallic compounds Ho(Cosub(1-x)Nisub(x))sub(5) have been investigated neutronographically and roentgenographically. Crystal structure of two series of samples: HoCosub(5.5-5.5x)Nisub(5x) and HoCosub(5-5x)Nisub(5x) is studied. It is shown that Ni atoms mainly occupy positions 2c, Co atoms - positions 3g; coordinates of atoms and position occupation of TbCu 7 type structure are specified. Analysis of magnetic structure is made, angles of magnetic momenta orientation as to crystallographic axes are determined. Magnetic phase diagram is built. Concentrational dependences of sublattice magnetization: Msub(Ho)(x), Mdsub(2c)(x), Mdsub(3g)(x) are determined

  15. Influence of interstitial solutions (H, N) on cerium electronic state in Ce-Fe intermetallic compounds: X-ray Absorption Spectroscopy (XAS) study

    International Nuclear Information System (INIS)

    Chaboy, J.; Marcelli, A.; Bozukov, L.

    1995-03-01

    It is presented an x-ray absorption spectroscopy (XAS) investigation performed at the L-edges of the rare-earth and at the K-edge of iron in the R-Fe intermetallic compounds (La, Ce) 2 Fe 14 BH χ and Ce 2 Fe 17 (H,N) χ , to elucidate the role of the interstitial doping into the electronic and magnetic properties of these systems. Comparison with x-ray circular magnetic dichroism (XCMD) experiments has been carried out to clarify the localization of 4f magnetic moment at the Ce sites upon hydriding. Both XAS and XCMD results evidence the interplay between the structural and magnetic changes, that are associated to the modification of the hybridization between the Fe(3d) and Ce(5d) bands

  16. Comparative analysis of technical efficiencies between compound ...

    African Journals Online (AJOL)

    This study was designed to compare the level of technical efficiency in the compound and non compound farms in Imo state. A multi-stage random sampling technique was used to select 120 food crop farmers from two out of the three agricultural zones in Imo state. Using the Chow (1960) analysis of covariance technique ...

  17. Occurrence and potential human-health relevance of volatile organic compounds in drinking water from domestic wells in the United States

    Science.gov (United States)

    Rowe, B.L.; Toccalino, P.L.; Moran, M.J.; Zogorski, J.S.; Price, C.V.

    2011-01-01

    BACKGROUND: As the population and demand for safe drinking water from domestic wells increase, it is important to examine water quality and contaminant occurrence. A national assessment in 2006 by the U.S. Geological Survey reported findings for 55 volatile organic compounds (VOCs) based on 2,401 domestic wells sampled during 1985-2002. OBJECTIVES: We examined the occurrence of individual and multiple VOCs and assessed the potential human-health relevance of VOC concentrations. We also identified hydrogeologic and anthropogenic variables that influence the probability of VOC occurrence. METHODS: The domestic well samples were collected at the wellhead before treatment of water and analyzed for 55 VOCs. Results were used to examine VOC occurrence and identify associations of multiple explanatory variables using logistic regression analyses. We used a screening-level assessment to compare VOC concentrations to U.S. Environmental Protection Agency maximum contaminant levels (MCLs) and health-based screening levels. RESULTS: We detected VOCs in 65% of the samples; about one-half of these samples contained VOC mixtures. Frequently detected VOCs included chloroform, toluene, 1,2,4-trimethylbenzene, and perchloroethene. VOC concentrations generally were < 1 ??g/L. One or more VOC concentrations were greater than MCLs in 1.2% of samples, including dibromochloropropane, 1,2-dichloropropane, and ethylene dibromide (fumigants); perchloroethene and trichloroethene (solvents); and 1,1-dichloroethene (organic synthesis compound). CONCLUSIONS: Drinking water supplied by domestic wells is vulnerable to low-level VOC contamination. About 1% of samples had concentrations of potential human-health concern. Identifying factors associated with VOC occurrence may aid in understanding the sources, transport, and fate of VOCs in groundwater.

  18. Compostos Secundários em Cachaças Produzidas no Estado de Minas Gerais Secundary Compounds in Brazilian Sugar-Cane Spirits (“Cachaça” Manufactured in Minas Gerais State

    Directory of Open Access Journals (Sweden)

    Norma Eliane Pereira

    2003-10-01

    Full Text Available Os componentes da cachaça classificados como secundários constituem um grupo de produtos minoritários oriundos do processo de fermentação. Esses, especialmente os ésteres e aldeídos, são responsáveis pelo aroma e sabor dos destilados em geral, porém, quando se encontram acima dos limites estabelecidos pelo Ministério da Agricultura, Pecuária e Abastecimento (MAPA, podem comprometer a qualidade da cachaça e ser prejudicial à saúde. Com o intuito de avaliar os compostos secundários de aguardentes provenientes de várias localidades do Estado de Minas Gerais, foram coletadas 45 amostras aleatoriamente e conduzidas ao Laboratório de Análise Físico-Química de Aguardente (LAFQA da UFLA, no período de agosto de 2000 a julho de 2001. Pelos resultados, verificou-se que há diferenças altamente significativas entre as amostras analisadas para acidez volátil, ésteres, aldeídos e álcoois superiores. De todas as amostras analisadas, sete apresentaram excesso de álcoois superiores, duas de aldeídos e três de acidez volátil; portanto, 24,44% das aguardentes encontravam-se fora dos padrões de qualidade estabelecidos pelo MAPA (1997.The Brazilian sugar-cane spirit chemical compounds classified like secondary compounds are one group of Brazilian sugar-cane spirit minor compounds formed during the fermentation process. That compounds are important for the taste and flavor of spirits in general, mainly esters and aldehydes. However, that compounds are above the standard quality established by Agriculture Ministry (MAPA, they can affect the Brazilian sugar-cane spirit quality and be harmful to the health. Aiming to evaluate the sugar-cane spirit secondary compounds from diverse sites at Minas Gerais State, 45 samples were randomized sampled and taken to the Brazilian Sugar-Cane Spirit Analysis Laboratory of UFLA during the period of August of 2000 to July of 2001. The results showed that there were high and significant statistical

  19. EPR spectroscopy of a family of Cr(III) 7M(II) (M = Cd, Zn, Mn, Ni) "wheels": studies of isostructural compounds with different spin ground states

    DEFF Research Database (Denmark)

    Piligkos, Stergios; Weihe, Høgni; Bill, Eckhard

    2009-01-01

    examples of high nuclearity polymetallic systems where detailed information on the spin-Hamiltonian parameters of the ground and excited spin states is observed. We interpret the EPR spectra by use of restricted size effective subspaces obtained by the rigorous solution of spin-Hamiltonians of dimension up...

  20. Rubber compounding and processing

    CSIR Research Space (South Africa)

    John, MJ

    2014-06-01

    Full Text Available This chapter presents an overview on the compounding and processing techniques of natural rubber compounds. The introductory portion deals with different types of rubbers and principles of rubber compounding. The primary and secondary fillers used...

  1. Asymmetrical Precipitation of Ag3Sn Intermetallic Compounds Induced by Thermomigration of Ag in Pb-Free Microbumps During Solid-State Aging

    Science.gov (United States)

    Su, Yu-Ping; Wu, Chun-Sen; Ouyang, Fan-Yi

    2016-01-01

    Three-dimensional integrated circuit technology has become a major trend in electronics packaging in the microelectronics industry. To effectively remove heat from stacked integrated circuitry, a temperature gradient must be established across the chips. Furthermore, because of the trend toward higher device current density, Joule heating is more serious and temperature gradients across soldered joints are expected to increase. In this study we used heat-sink and heat-source devices to establish a temperature gradient across SnAg microbumps to investigate the thermomigration behavior of Ag in SnAg solder. Compared with isothermal conditions, small Ag3Sn particles near the hot end were dissolved and redistributed toward the cold end under a temperature gradient. The results indicated that temperature gradient-induced movement of Ag atoms occurred from the hot side toward the cold side, and asymmetrical precipitation of Ag3Sn resulted. The mechanism of growth of the intermetallic compound (IMC) Ag3Sn, caused by thermomigration of Ag, is discussed. The rate of growth Ag3Sn IMC at the cold side was found to increase linearly with solid-aging time under a temperature gradient. To understand the force driving Ag diffusion under the temperature gradient, the molar heat of transport ( Q*) of Ag in Sn was calculated as +13.34 kJ/mole.

  2. Adsorbed States of phosphonate derivatives of N-heterocyclic aromatic compounds, imidazole, thiazole, and pyridine on colloidal silver: comparison with a silver electrode.

    Science.gov (United States)

    Podstawka, Edyta; Olszewski, Tomasz K; Boduszek, Bogdan; Proniewicz, Leonard M

    2009-09-03

    Here, we report a systematic surface-enhanced Raman spectroscopy (SERS) study of the structures of phosphonate derivatives of the N-heterocyclic aromatic compounds imidazole (ImMeP ([hydroxy(1H-imidazol-5-yl)methyl]phosphonic acid) and (ImMe)(2)P (bis[hydroxy-(1H-imidazol-4-yl)-methyl]phosphinic acid)), thiazole (BAThMeP (butylaminothiazol-2-yl-methyl)phosphonic acid) and BzAThMeP (benzylaminothiazol-2-yl-methyl)phosphonic acid)), and pyridine ((PyMe)(2)P (bis[(hydroxypyridin-3-yl-methyl)]phosphinic acid)) adsorbed on nanometer-sized colloidal particles. We compared these structures to those on a roughened silver electrode surface to determine the relationship between the adsorption strength and the geometry. For example, we showed that all of these biomolecules interact with the colloidal surface through aromatic rings. However, for BzAThMeP, a preferential interaction between the benzene ring and the colloidal silver surface is observed more so than that between the thiazole ring and this substrate. The PC(OH)C fragment does not take part in the adsorption process, and the phosphonate moiety of ImMeP and (ImMe)(2)P, being removed from the surface, only assists in this process.

  3. Massive spalling of Cu-Zn and Cu-Al intermetallic compounds at the interface between solders and Cu substrate during liquid state reaction

    Science.gov (United States)

    Kotadia, H. R.; Panneerselvam, A.; Mokhtari, O.; Green, M. A.; Mannan, S. H.

    2012-04-01

    The interfacial intermetallic compound (IMC) formation between Cu substrate and Sn-3.8Ag-0.7Cu-X (wt.%) solder alloys has been studied, where X consists of 0-5% Zn or 0-2% Al. The study has focused on the effect of solder volume as well as the Zn or Al concentration. With low solder volume, when the Zn and Al concentrations in the solder are also low, the initial Cu-Zn and Al-Cu IMC layers, which form at the solder/substrate interface, are not stable and spall off, displaced by a Cu6Sn5 IMC layer. As the total Zn or Al content in the system increases by increasing solder volume, stable CuZn or Al2Cu IMCs form on the substrate and are not displaced. Increasing concentration of Zn has a similar effect of stabilizing the Cu-Zn IMC layer and also of forming a stable Cu5Zn8 layer, but increasing Al concentration alone does not prevent spalling of Al2Cu. These results are explained using a combination of thermodynamic- and kinetics-based arguments.

  4. Compound cueing in free recall

    Science.gov (United States)

    Lohnas, Lynn J.; Kahana, Michael J.

    2013-01-01

    According to the retrieved context theory of episodic memory, the cue for recall of an item is a weighted sum of recently activated cognitive states, including previously recalled and studied items as well as their associations. We show that this theory predicts there should be compound cueing in free recall. Specifically, the temporal contiguity effect should be greater when the two most recently recalled items were studied in contiguous list positions. A meta-analysis of published free recall experiments demonstrates evidence for compound cueing in both conditional response probabilities and inter-response times. To help rule out a rehearsal-based account of these compound cueing effects, we conducted an experiment with immediate, delayed and continual-distractor free recall conditions. Consistent with retrieved context theory but not with a rehearsal-based account, compound cueing was present in all conditions, and was not significantly influenced by the presence of interitem distractors. PMID:23957364

  5. Compound cuing in free recall.

    Science.gov (United States)

    Lohnas, Lynn J; Kahana, Michael J

    2014-01-01

    According to the retrieved context theory of episodic memory, the cue for recall of an item is a weighted sum of recently activated cognitive states, including previously recalled and studied items as well as their associations. We show that this theory predicts there should be compound cuing in free recall. Specifically, the temporal contiguity effect should be greater when the 2 most recently recalled items were studied in contiguous list positions. A meta-analysis of published free recall experiments demonstrates evidence for compound cuing in both conditional response probabilities and interresponse times. To help rule out a rehearsal-based account of these compound cuing effects, we conducted an experiment with immediate, delayed, and continual-distractor free recall conditions. Consistent with retrieved context theory but not with a rehearsal-based account, compound cuing was present in all conditions, and was not significantly influenced by the presence of interitem distractors.

  6. Liquid structure as a guide for phase stability in the solid state: Discovery of a stable compound in the Au-Si alloy system

    International Nuclear Information System (INIS)

    Tasci, Emre S.; Sluiter, Marcel H.F.; Pasturel, Alain; Villars, Pierre

    2010-01-01

    A new crystalline ground state was discovered in the Au-Si system through first-principles electronic structure calculations. The new structure was found using the experimentally and theoretically determined local atomic structure in the liquid as a guide for the solid state. Local atomic structure in the liquid was matched with that for all known crystal structures as compiled in the Pauling File structural database. The best matching crystalline structures were then explicitly calculated using first-principles methods. Most candidate crystal structures were found to be close, but above the enthalpy of a composition weighted average of the face-centered cubic Au and diamond structure Si terminal phases, but one crystal structure was more stable than the terminal phases by about 10 meV atom -1 at T = 0 K. As first-principles simulations of local structure are feasible for most liquid alloys, the present methodology is applicable to other alloys lying near a eutectic composition.

  7. Preparedness for the Evaluation and Management of Mass Casualty Incidents Involving Anticholinesterase Compounds: A Survey of Emergency Department Directors in the 12 Largest Cities in the United States

    Science.gov (United States)

    2010-11-01

    and the resulting survey was piloted among a group of 24 physicians, nurses , and governmental officials. It was submitted to an institu- tional...appropriate antidotes. ch emical attack with nerve agents could be devastat- g. As physicians, nurses , and allied health profession- , it is our professional...state and local medical countermeasure stockpile investments through the Shelf-Life Extension Program. Biosecur Bioterror. 2009; 7(1): 101-107. 86

  8. Excited states

    CERN Document Server

    Lim, Edward C

    1974-01-01

    Excited States, Volume I reviews radiationless transitions, phosphorescence microwave double resonance through optical spectra in molecular solids, dipole moments in excited states, luminescence of polar molecules, and the problem of interstate interaction in aromatic carbonyl compounds. The book discusses the molecular electronic radiationless transitions; the double resonance techniques and the relaxation mechanisms involving the lowest triplet state of aromatic compounds; as well as the optical spectra and relaxation in molecular solids. The text also describes dipole moments and polarizab

  9. Work plan for determining the occurrence of glyphosate, its transformation product AMPA, other herbicide compounds, and antibiotics in midwestern United States streams, 2002

    Science.gov (United States)

    Battaglin, W.A.; Thurman, E.M.; Kolpin, D.W.; Scribner, E.A.; Sandstrom, M.W.; Kuivila, K.M.

    2003-01-01

    Changes in herbicide use in the Midwestern United States have been substantial over the last 5 years. Most significant is a tripling in the use of glyphosate (N-[phosphonomethyl]glycin). Over this same time period (1997­2001), atrazine use increased by 20 percent and acetochlor use increased by 10 percent, while cyanazine use decreased by 99 percent, alachlor use decreased by 70 percent, and metolachlor use decreased by 55 percent. Previous studies have documented that herbicide flushes occur in midwestern streams during runoff events for several weeks to several months following application, and that herbicide concentrations in midwestern streams during flushing events are related to rates of herbicide use.

  10. Compound Cuing in Free Recall

    Science.gov (United States)

    Lohnas, Lynn J.; Kahana, Michael J.

    2014-01-01

    According to the retrieved context theory of episodic memory, the cue for recall of an item is a weighted sum of recently activated cognitive states, including previously recalled and studied items as well as their associations. We show that this theory predicts there should be compound cuing in free recall. Specifically, the temporal contiguity…

  11. The role of MgCl2 compounds in preparation of Tin oxide micro particles by one-step solid - state chemical reaction method and characterization of microstructure

    International Nuclear Information System (INIS)

    Hojabry, A.; Rezainik, Y.; Abdoljavad, N.; Moghimi, N.; Shakib, M.

    2007-01-01

    In this paper, Tin oxide (SnO 2 ) nano crystals have been synthesized by one-step solid-state chemical reactions method. In the first step, the powder of SnCl 4 . 5H 2 O was mixed with MgCl 2 and Mg(OH) 2 with a weight ratio of Sn to Mg (2:1) in the air atmosphere at room, and then annealed at 200 d egree C , 400 d egree C and 600 d egree C in air for 4 h to give different size of nanoparticles. This method is a simple, efficient and economic preparation for SnO 2 nanoparticles with adjustable grain sizes in the range of 7-32 nm in high yield. The microstructure and morphology of SnO 2 nanoparticles have been studied by X-ray diffraction (XRD), scanning electron microscopy and thermal analysis (thermogravimetric analysis -differential thermal analysis).

  12. Determination of the torsion angles of alanine and glycine residues of model compounds of spider silk (AGG){sub 10} using solid-state NMR methods

    Energy Technology Data Exchange (ETDEWEB)

    Ashida, Jun; Ohgo, Kosuke; Komatsu, Kohei; Kubota, Ayumi; Asakura, Tetsuo [Tokyo University of Agriculture and Technology, Department of Biotechnology (Japan)], E-mail: asakura@cc.tuat.ac.jp

    2003-02-15

    Spiders synthesize several kinds of silk fibers. In the primary structure of spider silk, one of the major ampullate (dragline, frame) silks, spidroin 1, and flagelliform silk (core fibers of adhesive spiral), there are common repeated X-Gly-Gly (X = Ala, Leu, Pro, Tyr, Glu, and Arg) sequences, which are considered to be related to the elastic character of these fibers. In this paper, two dimensional spin diffusion solid-state NMR under off magic angle spinning (OMAS), {sup 13}C chemical shift contour plots, and Rotational Echo DOuble Resonance (REDOR) were applied to determine the torsion angles of one Ala and two kinds of Gly residues in the Ala-Gly-Gly sequence of {sup 13}C=O isotope-labeled (Ala-Gly-Gly){sub 10}. The torsion angles were determined to be ({phi}, {psi}) = (-90 deg., 150 deg.) within an experimental error of {+-}10 deg. for each residue. This conformation is characterized as 3{sub 1} helix which is in agreement with the structure proposed from the X-ray powder diffraction pattern of poly(Ala-Gly-Gly). The 3{sub 1} helix of (Ala-Gly-Gly){sub 10} does not change by formic acid treatment although (Ala-Gly){sub 15} easily changes from the silk I conformation (the structure of Bombyx mori silk fibroin before spinning in the solid state) to silk II conformation (the structure of the silk fiber after spinning) by such treatment. Thus, the 3{sub 1} helix conformation of (Ala-Gly-Gly){sub 10} is considered very stable. Furthermore, the torsion angles of the 16th Leu residue of (Leu-Gly-Gly){sub 10} were also determined as ({phi}, {psi}) = (-90 deg., 150 deg.) and this peptide is also considered to take 3{sub 1} helix conformation.

  13. Sanskrit Compound Processor

    Science.gov (United States)

    Kumar, Anil; Mittal, Vipul; Kulkarni, Amba

    Sanskrit is very rich in compound formation. Typically a compound does not code the relation between its components explicitly. To understand the meaning of a compound, it is necessary to identify its components, discover the relations between them and finally generate a paraphrase of the compound. In this paper, we discuss the automatic segmentation and type identification of a compound using simple statistics that results from the manually annotated data.

  14. Formation of doubly and triply bonded unsaturated compounds HCN, HNC, and CH2NH via N + CH4 low-temperature solid state reaction: from molecular clouds to solar system objects

    Science.gov (United States)

    Mencos, Alejandro; Krim, Lahouari

    2018-06-01

    We show in the current study carried out in solid phase at cryogenic temperatures that methane (CH4) ice exposed to nitrogen atoms is a source of two acids HCN, HNC, and their corresponding hydrogenated unsaturated species CH2NH, in addition to CH3, C2H6, CN-, and three nitrogen hydrides NH, NH2, and NH3. The solid state N + CH4 reaction taken in the ground state seems to be strongly temperature dependent. While at temperatures lower than 10 K only CH3, NH, NH2, and NH3 species formation is promoted due to CH bond dissociation and NH bond formation, stable compounds with CN bonds are formed at temperatures ranged between 10 and 40 K. Many of these reaction products, resulting from CH4 + N reaction, have already been observed in N2-rich regions such as the atmospheres of Titan, Kuiper belt objects, and molecular clouds of the interstellar medium. Our results show the power of the solid state N-atom chemistry in the transformation of simple astrochemical relevant species, such as CH4 molecules and N atoms into complex organic molecules which are also potentially prebiotic species.

  15. First-principles calculation of the elastic constants, the electronic density of states and the ductility mechanism of the intermetallic compounds: YAg, YCu and YRh

    Energy Technology Data Exchange (ETDEWEB)

    Wu Yurong [College of Electromechanical Engineering, Hunan University of Science and Technology, Xiantang 411201 (China); Hu Wangyu [Department of Applied Physics, Hunan University, Changsha 410082 (China)], E-mail: wangyuhu2001cn@yahoo.com.cn; Han Shaochang [Department of Applied Physics, Hunan University, Changsha 410082 (China)

    2008-10-01

    First-principles calculations have been used to study the elastic and electronic properties of ductility rare-earth alloy YM (M=Ag, Cu, Rh) systems. The ductility mechanism for these alloys is studied from microscopic aspect, via electronic density of states (DOS). The Fermi energy lies near a local minimum, and the hybridization is stronger than that of the common NiAl alloy, demonstrating that the ductility of these alloys is much better than that of NiAl alloy. Elastic modulus, namely, shear modulus C'=(C{sub 11}-C{sub 12})/2, bulk modulus B and C{sub 44} are calculated by volume-conserving orthorhombic, hydrostatic pressure and tri-axial shear strain, respectively. Moreover, lattice parameters, antiphase boundary (APB) energies and unstable stacking fault energies of these alloys are also studied. The APB energies are greater than the unstable stacking fault energies for these alloy systems, and this is a characteristic of the ductility rare-earth alloy. The APB energies of YRh are the highest ones in these three YM alloys, which make dislocation dissociation difficult. The DOS and APB energy results show that the ductility of YRh may be worst in these three YM systems.

  16. Assigning Oxidation States to Organic Compounds via Predictions from X-ray Photoelectron Spectroscopy: A Discussion of Approaches and Recommended Improvements

    Energy Technology Data Exchange (ETDEWEB)

    Gupta, Vipul; Ganegoda, Hasitha; Engelhard, Mark H.; Terry, Jeff H.; Linford, Matthew R.

    2014-02-11

    The traditional assignment of oxidation numbers to organic molecules is problematic. Accordingly, in 1999, Calzaferri proposed a simple and elegant solution that is based on the similar electronegativities of carbon and hydrogen: hydrogen would be assigned an oxidation number of zero when bonded to carbon. Here we show that X-ray photoelectron spectroscopy (XPS), a core electron spectroscopy that is sensitive to oxidation states of elements, confirms his suggestion. In particular, in this work we: (i) list the typical rules for assigning oxidation numbers, (ii) discuss the traditional assignment of oxidation numbers to organic molecules, (iii) review Calzaferri’s solution, (iv) introduce X-ray photoelectron spectroscopy (XPS), (v) show the consistency of Calzaferri’s suggestion with XPS results, (vi) provide supporting examples from the literature, (vii) provide examples from our own research, and (viii) further confirm the Calzaferri suggestion/photoelectron spectroscopy results by discussing two organic well-known reactions. We end by reechoing Calzaferri’s suggestion that the traditional rules for assigning oxidation numbers to organic molecules be modified.

  17. First-principles calculation of the elastic constants, the electronic density of states and the ductility mechanism of the intermetallic compounds: YAg, YCu and YRh

    International Nuclear Information System (INIS)

    Wu Yurong; Hu Wangyu; Han Shaochang

    2008-01-01

    First-principles calculations have been used to study the elastic and electronic properties of ductility rare-earth alloy YM (M=Ag, Cu, Rh) systems. The ductility mechanism for these alloys is studied from microscopic aspect, via electronic density of states (DOS). The Fermi energy lies near a local minimum, and the hybridization is stronger than that of the common NiAl alloy, demonstrating that the ductility of these alloys is much better than that of NiAl alloy. Elastic modulus, namely, shear modulus C'=(C 11 -C 12 )/2, bulk modulus B and C 44 are calculated by volume-conserving orthorhombic, hydrostatic pressure and tri-axial shear strain, respectively. Moreover, lattice parameters, antiphase boundary (APB) energies and unstable stacking fault energies of these alloys are also studied. The APB energies are greater than the unstable stacking fault energies for these alloy systems, and this is a characteristic of the ductility rare-earth alloy. The APB energies of YRh are the highest ones in these three YM alloys, which make dislocation dissociation difficult. The DOS and APB energy results show that the ductility of YRh may be worst in these three YM systems

  18. The structures of binary compounds

    CERN Document Server

    Hafner, J; Jensen, WB; Majewski, JA; Mathis, K; Villars, P; Vogl, P; de Boer, FR

    1990-01-01

    - Up-to-date compilation of the experimental data on the structures of binary compounds by Villars and colleagues. - Coloured structure maps which order the compounds into their respective structural domains and present for the first time the local co-ordination polyhedra for the 150 most frequently occurring structure types, pedagogically very helpful and useful in the search for new materials with a required crystal structure. - Crystal co-ordination formulas: a flexible notation for the interpretation of solid-state structures by chemist Bill Jensen. - Recent important advances in unders

  19. Effects of crystalline state and self-nanoemulsifying drug delivery system (SNEDDS) on oral bioavailability of the novel anti-HIV compound 6-benzyl-1-benzyloxymethyl-5-iodouracil in rats.

    Science.gov (United States)

    Lu, Ying-Yuan; Dai, Wen-Bing; Wang, Xin; Wang, Xiao-Wei; Liu, Jun-Yi; Li, Pu; Lou, Ya-Qing; Lu, Chuang; Zhang, Qiang; Zhang, Guo-Liang

    2018-02-01

    The objective of this study was to investigate the effect of crystalline state and a formulation of self-nanoemulsifying drug delivery system (SNEDDS) on oral bioavailability of 6-benzyl-1-benzyloxymethyl-5-iodouracil (W-1), a novel non-nucleoside reverse transcriptase inhibitor, in rats. The crystalline states of W-1 were characterized by scanning electron microscope (SEM), differential scanning calorimetry (DSC) and X-ray powder diffraction (XRPD). The SNEDDS was formulated by medium-chain lipids, characterized by droplet particle size. The plasma concentrations of W-1 were measured by high performance liquid chromatography (HPLC). The results indicated that W-1 compound were presented as crystalline forms, A and B, the degree of crystallization in form B was higher than that in form A. The SNEDDS of W-1 displayed a significant increase in the dissolution rate than W-1 powder. Furthermore, after oral administration of W-1 (100 mg/kg), the pharmacokinetic parameters of form A, form B, and W-1 SNEDDS were as follows: AUC 0-t 526.4 ± 123.5, 305.1 ± 58.5 and 2297 ± 451 ng h/mL (p < .05, when W-1 SNEDDS were compared with either form A or form B), respectively. With SNEDDS formulation, the relative bioavailabilities were enhanced by 4.36-fold and 7.53-fold over the form A and form B of W-1, respectively. In conclusion, the present results suggested that the crystalline states of W-1 might lead to the lower oral bioavailability, and SNEDDS formulation is a promising strategy of improving bioavailability, in spite of that crystalline states usually carry small lot-to-lot variability.

  20. An efficient 2D 11B–11B solid-state NMR spectroscopy strategy for monitoring covalent self-assembly of boronic acid-derived compounds: the transformation and unique architecture of bortezomib molecules in the solid state

    Czech Academy of Sciences Publication Activity Database

    Brus, Jiří; Czernek, Jiří; Urbanová, Martina; Kobera, Libor; Jegorov, A.

    2017-01-01

    Roč. 19, č. 1 (2017), s. 487-495 ISSN 1463-9076 R&D Projects: GA ČR(CZ) GA14-03636S; GA ČR(CZ) GA16-04109S; GA MŠk(CZ) LO1507 Institutional support: RVO:61389013 Keywords : NMR crystalography * bortezomib * solid-state self-assembly Subject RIV: CD - Macromolecular Chemistry OBOR OECD: Polymer science Impact factor: 4.123, year: 2016

  1. Solid state diffusion in zirconium-copper and zirconium-nickel systems. Study of the intermetallic compounds formed; Diffusion a l'etat solide dans les systemes zirconium-cuivre et zirconium-nickel. Etude des composes intermetalliques formes

    Energy Technology Data Exchange (ETDEWEB)

    Meny, L; Champigny, M [Commissariat a l' Energie Atomique, Saclay (France). Centre d' Etudes Nucleaires

    1968-07-01

    Solid state diffusion has been provoked in pure Zr-Cu and Zr-Ni metal couples. The tests were carried out in the following experimental conditions : the samples were maintained at a mechanical pressure of 30 kg/cm{sup 2}; annealing was carried out in a secondary vacuum during 100 and 500 hours, at temperatures of between 650 C and 900 C. In all cases, a diffusion zone made up of several parallel layers was formed. The various intermetallic compounds have been studied by metallography (optical microscopy and micro-hardness) X-ray diffraction and micro-analysis with an electronic probe. In the Zr-Cu system, six compounds have been determined, Zr{sub 2}Cu, ZrCu, Zr{sub 2}Cu{sub 3}, ZrCu{sub 4} and ZrCu{sub 5}. These results confirm a recent publication mentioning for the first time the existence of ZrCu{sub 5} and demonstrating the formulae ZrCu{sub 3} and ZrCu{sub 4}. In a similar manner, we have found six compounds, stable at room temperature, in the Zr-Ni system: these are Zr{sub 2}Ni, ZrNi, Zr{sub 7}Ni{sub 10}, ZrNi{sub 3}, ZrNi{sub 4} and ZrNi{sub 5}; the results of American workers are confirmed for four of these compounds; however we identify as ZrNi{sub 3} and ZrNi{sub 4} the compounds for which they proposed the formulae Zr{sub 2}Ni{sub 5} and Zr{sub 2}Ni{sub 7}. A comparison of these results suggests that the two systems ZrCu and ZrNi have the same type of equilibrium diagrams. (authors) [French] Des diffusions a l'etat solide ont ete effectuees entre les couples de metaux purs Zr-Cu et Zr-Ni. Les essais ont eu lieu dans les conditions experimentales suivantes: les echantillons ont ete maintenus par une pression mecanique de 3O kg/cm{sup 2}; les recuits ont ete effectues sous vide secondaire pendant des temps de 100 et 500 heures, a des temperatures comprises entre 650 C et 900 C. Dans tous les cas, il y a eu formation d'une zone de diffusion formee de plusieurs couches paralleles. Les differents composes intermetalliques ont ete etudies par metallographie

  2. Vanadium Compounds as PTP Inhibitors

    Directory of Open Access Journals (Sweden)

    Elsa Irving

    2017-12-01

    Full Text Available Phosphotyrosine signaling is regulated by the opposing actions of protein tyrosine kinases (PTKs and protein tyrosine phosphatases (PTPs. Here we discuss the potential of vanadium derivatives as PTP enzyme inhibitors and metallotherapeutics. We describe how vanadate in the V oxidized state is thought to inhibit PTPs, thus acting as a pan-inhibitor of this enzyme superfamily. We discuss recent developments in the biological and biochemical actions of more complex vanadium derivatives, including decavanadate and in particular the growing number of oxidovanadium compounds with organic ligands. Pre-clinical studies involving these compounds are discussed in the anti-diabetic and anti-cancer contexts. Although in many cases PTP inhibition has been implicated, it is also clear that many such compounds have further biochemical effects in cells. There also remain concerns surrounding off-target toxicities and long-term use of vanadium compounds in vivo in humans, hindering their progress through clinical trials. Despite these current misgivings, interest in these chemicals continues and many believe they could still have therapeutic potential. If so, we argue that this field would benefit from greater focus on improving the delivery and tissue targeting of vanadium compounds in order to minimize off-target toxicities. This may then harness their full therapeutic potential.

  3. pH-specific hydrothermal assembly of binary and ternary Pb(II)-(O,N-carboxylic acid) metal organic framework compounds: correlation of aqueous solution speciation with variable dimensionality solid-state lattice architecture and spectroscopic signatures.

    Science.gov (United States)

    Gabriel, C; Perikli, M; Raptopoulou, C P; Terzis, A; Psycharis, V; Mateescu, C; Jakusch, T; Kiss, T; Bertmer, M; Salifoglou, A

    2012-09-03

    Hydrothermal pH-specific reactivity in the binary/ternary systems of Pb(II) with the carboxylic acids N-hydroxyethyl-iminodiacetic acid (Heida), 1,3-diamino-2-hydroxypropane-N,N,N',N'-tetraacetic acid (Dpot), and 1,10-phenanthroline (Phen) afforded the new well-defined crystalline compounds [Pb(Heida)](n)·nH(2)O(1), [Pb(Phen)(Heida)]·4H(2)O(2), and [Pb(3)(NO(3))(Dpot)](n)(3). All compounds were characterized by elemental analysis, FT-IR, solution or/and solid-state NMR, and single-crystal X-ray diffraction. The structures in 1-2 reveal the presence of a Pb(II) center coordinated to one Heida ligand, with 1 exhibiting a two-dimensional (2D) lattice extending to a three-dimensional (3D) one through H-bonding interactions. The concurrent aqueous speciation study of the binary Pb(II)-Heida system projects species complementing the synthetic efforts, thereby lending credence to a global structural speciation strategy in investigating binary/ternary Pb(II)-Heida/Phen systems. The involvement of Phen in 2 projects the significance of nature and reactivity potential of N-aromatic chelators, disrupting the binary lattice in 1 and influencing the nature of the ultimately arising ternary 3D lattice. 3 is a ternary coordination polymer, where Pb(II)-Dpot coordination leads to a 2D metal-organic-framework material with unique architecture. The collective physicochemical properties of 1-3 formulate the salient features of variable dimensionality metal-organic-framework lattices in binary/ternary Pb(II)-(hydroxy-carboxylate) structures, based on which new Pb(II) materials with distinct architecture and spectroscopic signature can be rationally designed and pursued synthetically.

  4. Applying Quality by Design Concepts to Pharmacy Compounding.

    Science.gov (United States)

    Timko, Robert J

    2015-01-01

    Compounding of medications is an important part of the practice of the pharmacy profession. Because compounded medications do not have U.S. Food and Drug Administration approval, a pharmacist has the responsibility to ensure that compounded medications are of suitable quality, safety, and efficacy. The Federal Government and numerous states have updated their laws and regulations regarding pharmacy compounding as a result of recent quality issues. Compounding pharmacists are expected to follow good preparation prodecures in their compounding practices in much the same way pharmaceutical manufacturers are required to follow Current Good Manufacturing Procedures as detailed in the United States Code of Federal Regulations. Application of Quality by Design concepts to the preparation process for a compounded medication can help in understanding the potential pitfalls and the means to mitigate their impact. The goal is to build quality into the compounding process to ensure that the resultant compounded prescription meets the human or animal patients' requirements.

  5. Synthesis of nanostructured solid-state phases of V{sub 7}O{sub 16} and V{sub 2}O{sub 5} compounds for ppb-level detection of ammonia

    Energy Technology Data Exchange (ETDEWEB)

    Huotari, J., E-mail: joni.huotari@ee.oulu.fi [Faculty of Information Technology and Electrical Engineering, P.O. Box 4500, FIN-90014, University of Oulu (Finland); Lappalainen, J. [Faculty of Information Technology and Electrical Engineering, P.O. Box 4500, FIN-90014, University of Oulu (Finland); Eriksson, J.; Bjorklund, R. [Department of Physics, Chemistry and Biology, Linköping University, SE-581 83, Linköping (Sweden); Heinonen, E. [Center of Microscopy and Nanotechnology, Erkki Koiso-Kanttilankatu 3, Tietotalo 1, Linnanmaa, FIN-90570, Oulu (Finland); Miinalainen, I. [Biocenter Oulu, P.O. Box 5000, FI-90014, University of Oulu (Finland); Puustinen, J. [Faculty of Information Technology and Electrical Engineering, P.O. Box 4500, FIN-90014, University of Oulu (Finland); Lloyd Spetz, A. [Faculty of Information Technology and Electrical Engineering, P.O. Box 4500, FIN-90014, University of Oulu (Finland); Department of Physics, Chemistry and Biology, Linköping University, SE-581 83, Linköping (Sweden)

    2016-08-05

    Solid state phase of V{sub 7}O{sub 16} with separate V{sub 2}O{sub 5} phase were fabricated by pulsed laser deposition. The crystal structure and symmetry of the deposited films were studied with X-ray diffraction and Raman spectroscopy, respectively. Rietveld analysis was performed to the X-ray diffraction measurement results. The surface potentials and morphologies of the films were studied with atomic force microscopy, and microstructure of the thin films was analysed by transmission electron microscopy. Raman spectroscopy and Rietveld refinement results confirmed that the thin-film crystal structures varied between orthorombic V{sub 2}O{sub 5} phase and another phase, triclinic V{sub 7}O{sub 16}, previously found only in the walls of vanadium oxide nanotubes (VO{sub x}-NT), bound together with organic amine. We have earlier presented the first results of stable and pure metal-oxide solid-state phase of V{sub 7}O{sub 16} manufactured from ceramic V{sub 2}O{sub 5} target. Here we show more detailed study of these structures. The microstructure studies showed a variation on the porosity of the films according to crystal structures and also some fibre-like nanostructures were found in the films. The surface morphology depended strongly on the crystal structure and the surface potential studies showed ∼50 meV difference in the work function values between the phases. Compounds were found to be extremely sensitive towards ammonia, NH{sub 3}, down to ∼40 ppb concentrations, and have shown to have the stability and selectivity to control the Selective Catalytic Reduction process, where nitrogen oxides are reduced by ammonia in, e.g. diesel exhausts. - Highlights: • The triclinic V{sub 7}O{sub 16} phase is proven to exist in solid state thin-film form. • The existence of V{sub 7}O{sub 16} in thin-film form is proven by several methods. • The structure of mixed V{sub 7}O{sub 16} and V{sub 2}O{sub 5} is proven to be sensitive to NH{sub 3} at ppb-level.

  6. Stable isotopes labelled compounds

    International Nuclear Information System (INIS)

    1982-09-01

    The catalogue on stable isotopes labelled compounds offers deuterium, nitrogen-15, and multiply labelled compounds. It includes: (1) conditions of sale and delivery, (2) the application of stable isotopes, (3) technical information, (4) product specifications, and (5) the complete delivery programme

  7. Compound Semiconductor Radiation Detectors

    CERN Document Server

    Owens, Alan

    2012-01-01

    Although elemental semiconductors such as silicon and germanium are standard for energy dispersive spectroscopy in the laboratory, their use for an increasing range of applications is becoming marginalized by their physical limitations, namely the need for ancillary cooling, their modest stopping powers, and radiation intolerance. Compound semiconductors, on the other hand, encompass such a wide range of physical and electronic properties that they have become viable competitors in a number of applications. Compound Semiconductor Radiation Detectors is a consolidated source of information on all aspects of the use of compound semiconductors for radiation detection and measurement. Serious Competitors to Germanium and Silicon Radiation Detectors Wide-gap compound semiconductors offer the ability to operate in a range of hostile thermal and radiation environments while still maintaining sub-keV spectral resolution at X-ray wavelengths. Narrow-gap materials offer the potential of exceeding the spectral resolutio...

  8. Hexavalent Chromium Compounds

    Science.gov (United States)

    Learn about chromium, exposure to which can increase your risk of lung cancer and cancer of the paranasal sinuses and nasal cavity. Hexavalent chromium compounds have been used as corrosion inhibitors in a wide variety of products and processes.

  9. MEA 86 Compound data

    Data.gov (United States)

    U.S. Environmental Protection Agency — This data file contains the full raw parameter data for the 86 compounds tested in the developmental MEA assay, as well as Area Under the Curve (AUC) calculations...

  10. Unlock your Compound Management

    OpenAIRE

    Steffen Eller

    2016-01-01

    Pharmaceutical industry faces the increased demand for innovative medicines against various diseases. In this regard, the compound library in pharmaceutical industry is the most valuable asset. However, the compound distribution from the library into the screening plates is often still done manually and binds highly qualified resources to very time-consuming, tedious and error-prone tasks. To overcome these challenges, Chemspeed launched the first automated true one-to-one gravimetric "pi...

  11. Phenolic Molding Compounds

    Science.gov (United States)

    Koizumi, Koji; Charles, Ted; de Keyser, Hendrik

    Phenolic Molding Compounds continue to exhibit well balanced properties such as heat resistance, chemical resistance, dimensional stability, and creep resistance. They are widely applied in electrical, appliance, small engine, commutator, and automotive applications. As the focus of the automotive industry is weight reduction for greater fuel efficiency, phenolic molding compounds become appealing alternatives to metals. Current market volumes and trends, formulation components and its impact on properties, and a review of common manufacturing methods are presented. Molding processes as well as unique advanced techniques such as high temperature molding, live sprue, and injection/compression technique provide additional benefits in improving the performance characterisitics of phenolic molding compounds. Of special interest are descriptions of some of the latest innovations in automotive components, such as the phenolic intake manifold and valve block for dual clutch transmissions. The chapter also characterizes the most recent developments in new materials, including long glass phenolic molding compounds and carbon fiber reinforced phenolic molding compounds exhibiting a 10-20-fold increase in Charpy impact strength when compared to short fiber filled materials. The role of fatigue testing and fatigue fracture behavior presents some insight into long-term reliability and durability of glass-filled phenolic molding compounds. A section on new technology outlines the important factors to consider in modeling phenolic parts by finite element analysis and flow simulation.

  12. Superconductivity in graphite intercalation compounds

    Energy Technology Data Exchange (ETDEWEB)

    Smith, Robert P. [Cavendish Laboratory, University of Cambridge, Madingley Road, Cambridge CB3 0HE (United Kingdom); Weller, Thomas E.; Howard, Christopher A. [Department of Physics & Astronomy, University College of London, Gower Street, London WCIE 6BT (United Kingdom); Dean, Mark P.M. [Department of Condensed Matter Physics and Materials Science, Brookhaven National Laboratory, Upton, NY 11973 (United States); Rahnejat, Kaveh C. [Department of Physics & Astronomy, University College of London, Gower Street, London WCIE 6BT (United Kingdom); Saxena, Siddharth S. [Cavendish Laboratory, University of Cambridge, Madingley Road, Cambridge CB3 0HE (United Kingdom); Ellerby, Mark, E-mail: mark.ellerby@ucl.ac.uk [Department of Physics & Astronomy, University College of London, Gower Street, London WCIE 6BT (United Kingdom)

    2015-07-15

    Highlights: • Historical background of graphite intercalates. • Superconductivity in graphite intercalates and its place in the field of superconductivity. • Recent developments. • Relevant modeling of superconductivity in graphite intercalates. • Interpretations that pertain and questions that remain. - Abstract: The field of superconductivity in the class of materials known as graphite intercalation compounds has a history dating back to the 1960s (Dresselhaus and Dresselhaus, 1981; Enoki et al., 2003). This paper recontextualizes the field in light of the discovery of superconductivity in CaC{sub 6} and YbC{sub 6} in 2005. In what follows, we outline the crystal structure and electronic structure of these and related compounds. We go on to experiments addressing the superconducting energy gap, lattice dynamics, pressure dependence, and how these relate to theoretical studies. The bulk of the evidence strongly supports a BCS superconducting state. However, important questions remain regarding which electronic states and phonon modes are most important for superconductivity, and whether current theoretical techniques can fully describe the dependence of the superconducting transition temperature on pressure and chemical composition.

  13. Superconductivity in graphite intercalation compounds

    International Nuclear Information System (INIS)

    Smith, Robert P.; Weller, Thomas E.; Howard, Christopher A.; Dean, Mark P.M.; Rahnejat, Kaveh C.; Saxena, Siddharth S.; Ellerby, Mark

    2015-01-01

    Highlights: • Historical background of graphite intercalates. • Superconductivity in graphite intercalates and its place in the field of superconductivity. • Recent developments. • Relevant modeling of superconductivity in graphite intercalates. • Interpretations that pertain and questions that remain. - Abstract: The field of superconductivity in the class of materials known as graphite intercalation compounds has a history dating back to the 1960s (Dresselhaus and Dresselhaus, 1981; Enoki et al., 2003). This paper recontextualizes the field in light of the discovery of superconductivity in CaC 6 and YbC 6 in 2005. In what follows, we outline the crystal structure and electronic structure of these and related compounds. We go on to experiments addressing the superconducting energy gap, lattice dynamics, pressure dependence, and how these relate to theoretical studies. The bulk of the evidence strongly supports a BCS superconducting state. However, important questions remain regarding which electronic states and phonon modes are most important for superconductivity, and whether current theoretical techniques can fully describe the dependence of the superconducting transition temperature on pressure and chemical composition

  14. Fluorine-18 labelled compounds

    International Nuclear Information System (INIS)

    Kleijn, J.P. de

    1978-01-01

    The work presented in this thesis deals with the problems involved in the adaption of reactor-produced fluorine-18 to the synthesis of 18 F-labelled organic fluorine compounds. Several 18 F-labelling reagents were prepared and successfully applied. The limitations to the synthetic possibilities of reactor-produced fluoride- 18 become manifest in the last part of the thesis. An application to the synthesis of labelled aliphatic fluoro amino acids has appeared to be unsuccessful as yet, although some other synthetic approaches can be indicated. Seven journal articles (for which see the availability note) are used to compose the four chapters and three appendices. The connecting text gives a survey of known 18 F-compounds and methods for preparing such compounds. (Auth.)

  15. Chloric organic compound

    International Nuclear Information System (INIS)

    Moalem, F.

    2000-01-01

    Since many years ago, hazardous and toxic refuses which are results of human activities has been carelessly without any Biological and Engineering facts and knowledge discharged into our land and water. The effects of discharging those materials in environment are different. Some of refuse materials shows short and other has long-time adverse effects in our environment, Among hazardous organic chemical materials, chlorine, consider, to be the main element. Organic materials with chlorine is called chlorine hydrocarbon as a hazardous compound. This paper discuss the hazardous materials especially chloric organic compound and their misuse effects in environment and human being

  16. Medicinal gold compounds

    International Nuclear Information System (INIS)

    Parish, R.V.; Cottrill, S.M.

    1987-01-01

    A major use of gold compounds in the pharmaceutical industry is for anti-arthritic agents. The disease itself is not understood and little is known about the way in which the drugs act, but detailed pictures of the distribution of gold in the body are available, and some of the relevant biochemistry is beginning to emerge. The purpose of this article is to give a survey of the types of compounds presently employed in medicine, of the distribution of gold in the body which results from their use, and of some relevant chemistry. Emphasis is placed on results obtained in the last few years

  17. Compound semiconductor device physics

    CERN Document Server

    Tiwari, Sandip

    2013-01-01

    This book provides one of the most rigorous treatments of compound semiconductor device physics yet published. A complete understanding of modern devices requires a working knowledge of low-dimensional physics, the use of statistical methods, and the use of one-, two-, and three-dimensional analytical and numerical analysis techniques. With its systematic and detailed**discussion of these topics, this book is ideal for both the researcher and the student. Although the emphasis of this text is on compound semiconductor devices, many of the principles discussed will also be useful to those inter

  18. Prediction of intermetallic compounds

    International Nuclear Information System (INIS)

    Burkhanov, Gennady S; Kiselyova, N N

    2009-01-01

    The problems of predicting not yet synthesized intermetallic compounds are discussed. It is noted that the use of classical physicochemical analysis in the study of multicomponent metallic systems is faced with the complexity of presenting multidimensional phase diagrams. One way of predicting new intermetallics with specified properties is the use of modern processing technology with application of teaching of image recognition by the computer. The algorithms used most often in these methods are briefly considered and the efficiency of their use for predicting new compounds is demonstrated.

  19. Nuclear alignment following compound nucleus reactions

    International Nuclear Information System (INIS)

    Butler, P.A.; Nolan, P.J.

    1981-01-01

    A procedure for calculating the alignment of a nuclear state populated by a compound nucleus reaction is given and used to investigate how alignment varies for different types of population mechanisms. The calculations are compared to both predictions of Gaussian models for the state population distribution and to experimental data, for a variety of types of nuclear reactions. The treatment of alignment in the analysis of γ-ray angular distribution is discussed. (orig.)

  20. Compound floating pivot micromechanisms

    Science.gov (United States)

    Garcia, Ernest J.

    2001-04-24

    A new class of tilting micromechanical mechanisms have been developed. These new mechanisms use compound floating pivot structures to attain far greater tilt angles than are practical using other micromechanical techniques. The new mechanisms are also capable of bi-directional tilt about multiple axes.

  1. The Onium Compounds

    Science.gov (United States)

    Tsarevsky, Nicolay V.; Slaveykova, Vera; Manev, Stefan; Lazarov, Dobri

    1997-06-01

    The onium salts are of a big interest for theoretical and structural chemistry, and for organic synthesis. Some representatives of the group (e.g. ammonium salts) were known from the oldest times. Many onium salts are met the nature: ammonium salts (either as inorganic salts, and organic derivatives, e.g. aminoacids, salts of biogenic amines and alkaloids, etc.); oxonium salts (plant pigments as anthocyans are organic oxonium compounds), etc. In 1894 C. Hartmann and V. Meyer prepared the first iodonium salts - 4-iododiphenyliodonium hydrogensulfate and diphenyliodonium salts, and suggested the ending -onium for all compounds with properties similar to those of ammonium salts. Nowadays onium compounds of almost all nonmetals are synthesised and studied. A great variety of physical methods: diffraction (e.g. XRD) and spectral methods (IR-, NMR-, and UV-spectra), as well as the chemical properties and methods of preparation of onium salts have been used in determination of the structure of these compounds. The application of different onium salts is immense. Ammonium, phosphonium and sulfonium salts are used as phase-transfer catalysts; diazonium salts - for the preparation of dyes, metalochromic and pH-indicators. All the onium salts and especially diazonium and iodonium salts are very useful reagents in organic synthesis.

  2. Forecasting of superconducting compounds

    International Nuclear Information System (INIS)

    Savitskii, E.M.; Gribulya, V.G.; Kiseleva, N.N.

    1981-01-01

    In forecasting new superconducting intermetallic compounds of the A15 and Mo 3 Se types most promising from the viewpoint of high critical temperature Tsub(c), high critical magnetic fields Hsub(c), and high critical currents and in estimating their transition temperature it is proposed to apply cybernetic methods of computer learning

  3. NATURAL POLYACETYLENE COMPOUNDS

    Directory of Open Access Journals (Sweden)

    A. M. Nasukhova

    2014-01-01

    Full Text Available In article the review of the initial stage of researches of natural polyacetylene compounds is resulted. The high reactionary ability leading to fast oxidation and degradation of these compounds, especially at influence of Uf-light, oxygen of air, pH and other factors, has caused the serious difficulties connected with an establishment of structure and studying of their physical and chemical properties. Therefore the greatest quantity of works of this stage is connected with studying of essential oils of plants from families Apiaceae, Araliaceae, Asteraceae, Campanulaceae, Olacaceae, Pittosporaceae and Santalaceae where have been found out, basically, diacetylene compounds. About development of physical and chemical methods of the analysis of possibility of similar researches have considerably extended. More than 2000 polyacetylenes are known today, from them more than 1100 are found out in plants fam. Asteraceae. Revolution in the field of molecular biology has allowed to study processes of biosynthesis of these compounds intensively.

  4. Aminopropyl thiophene compounds

    International Nuclear Information System (INIS)

    Goodman, M.M.; Knapp, F.F.

    1990-01-01

    This patent describes radiopharmaceuticals useful in brain imaging comprising radiohalogenated thienylethylamine derivatives. The compounds are 5-halo-thiophene-2-isopropyl amines able to cross the blood-brain barrier and be retained for a sufficient length of time to allow the evaluation of regional blood flow by radioimaging of the brain

  5. Aminopropyl thiophene compounds

    Science.gov (United States)

    Goodman, Mark M.; Knapp, Jr., Furn F.

    1990-01-01

    Radiopharmaceuticals useful in brain imaging comprising radiohalogenated thienylethylamine derivatives. The compounds are 5-halo-thiophene-2-isopropyl amines able to cross the blood-brain barrier and be retained for a sufficient length of time to allow the evaluation of regional blood flow by radioimaging of the brain.

  6. Hyperon compound nucleus

    International Nuclear Information System (INIS)

    Yamazaki, Toshimitsu.

    1987-11-01

    The formation of various hypernuclei from K - absorption at rest is discussed from the viewpoints of compound decay of highly excited hypernuclei in contrast to the direct reaction mechanism. Recent (stopped K - , π) experiments at KEK as well as old data of emulsion and bubble chamber experiments are discussed. Some future direction of hypernuclear spectroscopy is suggested. (author)

  7. Toxicology of perfluorinated compounds

    Energy Technology Data Exchange (ETDEWEB)

    Stahl, Thorsten [Hessian State Laboratory, Wiesbaden (Germany); Mattern, Daniela; Brunn, Hubertus [Hessian State Laboratory, Giessen (Germany)

    2011-12-15

    Perfluorinated compounds [PFCs] have found a wide use in industrial products and processes and in a vast array of consumer products. PFCs are molecules made up of carbon chains to which fluorine atoms are bound. Due to the strength of the carbon/fluorine bond, the molecules are chemically very stable and are highly resistant to biological degradation; therefore, they belong to a class of compounds that tend to persist in the environment. These compounds can bioaccumulate and also undergo biomagnification. Within the class of PFC chemicals, perfluorooctanoic acid and perfluorosulphonic acid are generally considered reference substances. Meanwhile, PFCs can be detected almost ubiquitously, e.g., in water, plants, different kinds of foodstuffs, in animals such as fish, birds, in mammals, as well as in human breast milk and blood. PFCs are proposed as a new class of 'persistent organic pollutants'. Numerous publications allude to the negative effects of PFCs on human health. The following review describes both external and internal exposures to PFCs, the toxicokinetics (uptake, distribution, metabolism, excretion), and the toxicodynamics (acute toxicity, subacute and subchronic toxicities, chronic toxicity including carcinogenesis, genotoxicity and epigenetic effects, reproductive and developmental toxicities, neurotoxicity, effects on the endocrine system, immunotoxicity and potential modes of action, combinational effects, and epidemiological studies on perfluorinated compounds). (orig.)

  8. Chemical compounds in teak

    Directory of Open Access Journals (Sweden)

    Fernanda Viana da Silva Leonardo

    2015-09-01

    Full Text Available Quinone compounds are largely generated at extractive fraction of the woods in a complex and variable biological system. The literature has indications for many segments from food industry to pharmaceutical industry. Within the field of industrial use of wood, they are less desirable since they are treated only as incidental substances in production strings of pulp, paper, charcoal, and sawmill. In spite of its small amount, compared to other chemical compounds called essential, these substances have received special attention from researchers revealing a diverse range of offerings to market products textiles, pharmaceuticals, colorants, and other polymers, for which are being tested and employed. Quinones are found in fungi, lichens, and mostly in higher plants. Tectona grandis, usually called teak, is able to biosynthesize anthraquinones, which is a quinone compound, byproduct of secondary metabolism. This species provides wood that is much prized in the furniture sector and can also be exploited for metabolites to supply the market in quinone compounds and commercial development of new technologies, adding value to the plantations of this species within our country.

  9. Selenium-75-labelled foliate compounds

    International Nuclear Information System (INIS)

    1974-01-01

    A saturation method to analyze a foliate is presented; it uses competitive reaction of the compound to be measured and of a radioactive-labelled version of this compound with a reagent specific to this compound present in insufficient quantity to combine with the whole of the compound and its labelled version, separation of the bound compound from its non-bound homologue and measurement of the radioactivity concentration in the bound compound, the non-bound compound or both. The radioactive isotope used in the labelled foliate is selenium 75 [fr

  10. Evolutionary Structure Prediction of Stoichiometric Compounds

    Science.gov (United States)

    Zhu, Qiang; Oganov, Artem

    2014-03-01

    In general, for a given ionic compound AmBn\\ at ambient pressure condition, its stoichiometry reflects the valence state ratio between per chemical specie (i.e., the charges for each anion and cation). However, compounds under high pressure exhibit significantly behavior, compared to those analogs at ambient condition. Here we developed a method to solve the crystal structure prediction problem based on the evolutionary algorithms, which can predict both the stable compounds and their crystal structures at arbitrary P,T-conditions, given just the set of chemical elements. By applying this method to a wide range of binary ionic systems (Na-Cl, Mg-O, Xe-O, Cs-F, etc), we discovered a lot of compounds with brand new stoichimetries which can become thermodynamically stable. Further electronic structure analysis on these novel compounds indicates that several factors can contribute to this extraordinary phenomenon: (1) polyatomic anions; (2) free electron localization; (3) emergence of new valence states; (4) metallization. In particular, part of the results have been confirmed by experiment, which warrants that this approach can play a crucial role in new materials design under extreme pressure conditions. This work is funded by DARPA (Grants No. W31P4Q1210008 and W31P4Q1310005), NSF (EAR-1114313 and DMR-1231586).

  11. Phosphorus-containing macrocyclic compounds: synthesis and properties

    International Nuclear Information System (INIS)

    Knyazeva, I R; Burilov, Alexander R; Pudovik, Michael A; Habicher, Wolf D

    2013-01-01

    Main trends in the development of methods for the synthesis of phosphorus-containing macrocyclic compounds in the past 15 years are considered. Emphasis is given to reactions producing macrocyclic structures with the participation of a phosphorus atom and other functional groups involved in organophosphorus molecules and to modifications of macrocycles by phosphorus compounds in different valence states. Possibilities of the practical application of phosphorus-containing macrocyclic compounds in difference areas of science and engineering are discussed. The bibliography includes 205 references.

  12. Oligosilanylated Antimony Compounds

    OpenAIRE

    Zitz, Rainer; Gatterer, Karl; Reinhold, Crispin R. W.; M?ller, Thomas; Baumgartner, Judith; Marschner, Christoph

    2015-01-01

    By reactions of magnesium oligosilanides with SbCl3, a number of oligosilanylated antimony compounds were obtained. When oligosilanyl dianions were used, either the expected cyclic disilylated halostibine was obtained or alternatively the formation of a distibine was observed. Deliberate formation of the distibine from the disilylated halostibine was achieved by reductive coupling with C8K. Computational studies of Sb?Sb bond energies, barriers of pyramidal inversion at Sb, and the conformati...

  13. Labelled compounds. (Pt. B)

    International Nuclear Information System (INIS)

    Buncel, E.; Jones, J.R.

    1991-01-01

    Since the end of World War II there has been a tremendous increase in the number of compounds that have been synthesized with radioactive or stable isotopes. They have found application in many diverse fields, so much so, that hardly a single area in pure and applied science has not benefited. Not surprisingly it has been reflected in appearance of related publications. The early proceedings of the Symposia on Advances in Trace Methodology were soon followed by various Euratom sponsored meetings in which methods of preparing and storing labelled compounds featured prominently. In due course a resurgence of interest in stable isotopes, brought about by their greater availability (also lower cost) and partly by development of new techniques such as gas chromatography - mass spectrometry (gc-ms), led to the publication of proceedings of several successful conferences. More recently conferences dealing with the synthesis and applications of isotopes and isotopically labelled compounds have been established on a regular basis. In addition to the proceedings of conferences and journal publications individuals left their mark by producing definitive texts, usually on specific nuclides. Only the classic two volume publication of Murray and Williams (Organic syntheses with isotopes, New York 1985), now over 30 years old and out of print, attempted to do justice to several nuclides. With the large amount of work that has been undertaken since then it seems unlikely that an updated edition could be produced. The alternative strategy was to ask scientists currently active to review specific areas and this is the approach adopted in the present series of monographs. In this way it is intended to cover the broad advances that have been made in the synthesis and applications of isotopes and isotopically labelled compounds in the physical and biomedical sciences. (author). refs.; figs.; tabs

  14. Process for compound transformation

    KAUST Repository

    Basset, Jean-Marie

    2016-12-29

    Embodiments of the present disclosure provide for methods of using a catalytic system to chemically transform a compound (e.g., a hydrocarbon). In an embodiment, the method does not employ grafting the catalyst prior to catalysis. In particular, embodiments of the present disclosure provide for a process of hydrocarbon (e.g., C1 to C20 hydrocarbon) metathesis (e.g., alkane, olefin, or alkyne metathesis) transformation, where the process can be conducted without employing grafting prior to catalysis.

  15. Compound Semiconductor Radiation Detector

    International Nuclear Information System (INIS)

    Kim, Y. K.; Park, S. H.; Lee, W. G.; Ha, J. H.

    2005-01-01

    In 1945, Van Heerden measured α, β and γ radiations with the cooled AgCl crystal. It was the first radiation measurement using the compound semiconductor detector. Since then the compound semiconductor has been extensively studied as radiation detector. Generally the radiation detector can be divided into the gas detector, the scintillator and the semiconductor detector. The semiconductor detector has good points comparing to other radiation detectors. Since the density of the semiconductor detector is higher than that of the gas detector, the semiconductor detector can be made with the compact size to measure the high energy radiation. In the scintillator, the radiation is measured with the two-step process. That is, the radiation is converted into the photons, which are changed into electrons by a photo-detector, inside the scintillator. However in the semiconductor radiation detector, the radiation is measured only with the one-step process. The electron-hole pairs are generated from the radiation interaction inside the semiconductor detector, and these electrons and charged ions are directly collected to get the signal. The energy resolution of the semiconductor detector is generally better than that of the scintillator. At present, the commonly used semiconductors as the radiation detector are Si and Ge. However, these semiconductor detectors have weak points. That is, one needs thick material to measure the high energy radiation because of the relatively low atomic number of the composite material. In Ge case, the dark current of the detector is large at room temperature because of the small band-gap energy. Recently the compound semiconductor detectors have been extensively studied to overcome these problems. In this paper, we will briefly summarize the recent research topics about the compound semiconductor detector. We will introduce the research activities of our group, too

  16. Bronzes and relative compounds

    International Nuclear Information System (INIS)

    Uehlls, A.

    1987-01-01

    Preparation and the crystal structure of bronzes based on complex oxides of transition (Ti, V, Nb, Ta, Mo, W, Re, Ru and etc.) and alkali metals, as well as oxides of some other elements (Sr, In, La and etc.) are described. Peculiarities of formation of the structure of tetragonal, tungsten, molybdenum, vanadium bronzes and their analogs depending on the chemical composition of these compounds are considered

  17. Unconventional superconductivity in heavy-fermion compounds

    Energy Technology Data Exchange (ETDEWEB)

    White, B.D. [Department of Physics, University of California, San Diego, La Jolla, CA 92093 (United States); Center for Advanced Nanoscience, University of California, San Diego, La Jolla, CA 92093 (United States); Thompson, J.D. [Los Alamos National Laboratory, Los Alamos, NM 87545 (United States); Maple, M.B., E-mail: mbmaple@ucsd.edu [Department of Physics, University of California, San Diego, La Jolla, CA 92093 (United States); Center for Advanced Nanoscience, University of California, San Diego, La Jolla, CA 92093 (United States)

    2015-07-15

    Highlights: • Quasiparticles in heavy-fermion compounds are much heavier than free electrons. • Superconductivity involves pairing of these massive quasiparticles. • Quasiparticle pairing mediated by magnetic or quadrupolar fluctuations. • We review the properties of superconductivity in heavy-fermion compounds. - Abstract: Over the past 35 years, research on unconventional superconductivity in heavy-fermion systems has evolved from the surprising observations of unprecedented superconducting properties in compounds that convention dictated should not superconduct at all to performing explorations of rich phase spaces in which the delicate interplay between competing ground states appears to support emergent superconducting states. In this article, we review the current understanding of superconductivity in heavy-fermion compounds and identify a set of characteristics that is common to their unconventional superconducting states. These core properties are compared with those of other classes of unconventional superconductors such as the cuprates and iron-based superconductors. We conclude by speculating on the prospects for future research in this field and how new advances might contribute towards resolving the long-standing mystery of how unconventional superconductivity works.

  18. Antifungal compounds from cyanobacteria.

    Science.gov (United States)

    Shishido, Tânia K; Humisto, Anu; Jokela, Jouni; Liu, Liwei; Wahlsten, Matti; Tamrakar, Anisha; Fewer, David P; Permi, Perttu; Andreote, Ana P D; Fiore, Marli F; Sivonen, Kaarina

    2015-04-13

    Cyanobacteria are photosynthetic prokaryotes found in a range of environments. They are infamous for the production of toxins, as well as bioactive compounds, which exhibit anticancer, antimicrobial and protease inhibition activities. Cyanobacteria produce a broad range of antifungals belonging to structural classes, such as peptides, polyketides and alkaloids. Here, we tested cyanobacteria from a wide variety of environments for antifungal activity. The potent antifungal macrolide scytophycin was detected in Anabaena sp. HAN21/1, Anabaena cf. cylindrica PH133, Nostoc sp. HAN11/1 and Scytonema sp. HAN3/2. To our knowledge, this is the first description of Anabaena strains that produce scytophycins. We detected antifungal glycolipopeptide hassallidin production in Anabaena spp. BIR JV1 and HAN7/1 and in Nostoc spp. 6sf Calc and CENA 219. These strains were isolated from brackish and freshwater samples collected in Brazil, the Czech Republic and Finland. In addition, three cyanobacterial strains, Fischerella sp. CENA 298, Scytonema hofmanni PCC 7110 and Nostoc sp. N107.3, produced unidentified antifungal compounds that warrant further characterization. Interestingly, all of the strains shown to produce antifungal compounds in this study belong to Nostocales or Stigonematales cyanobacterial orders.

  19. Toxic compounds in honey.

    Science.gov (United States)

    Islam, Md Nazmul; Khalil, Md Ibrahim; Islam, Md Asiful; Gan, Siew Hua

    2014-07-01

    There is a wealth of information about the nutritional and medicinal properties of honey. However, honey may contain compounds that may lead to toxicity. A compound not naturally present in honey, named 5-hydroxymethylfurfural (HMF), may be formed during the heating or preservation processes of honey. HMF has gained much interest, as it is commonly detected in honey samples, especially samples that have been stored for a long time. HMF is a compound that may be mutagenic, carcinogenic and cytotoxic. It has also been reported that honey can be contaminated with heavy metals such as lead, arsenic, mercury and cadmium. Honey produced from the nectar of Rhododendron ponticum contains alkaloids that can be poisonous to humans, while honey collected from Andromeda flowers contains grayanotoxins, which can cause paralysis of limbs in humans and eventually leads to death. In addition, Melicope ternata and Coriaria arborea from New Zealand produce toxic honey that can be fatal. There are reports that honey is not safe to be consumed when it is collected from Datura plants (from Mexico and Hungary), belladonna flowers and Hyoscamus niger plants (from Hungary), Serjania lethalis (from Brazil), Gelsemium sempervirens (from the American Southwest), Kalmia latifolia, Tripetalia paniculata and Ledum palustre. Although the symptoms of poisoning due to honey consumption may differ depending on the source of toxins, most common symptoms generally include dizziness, nausea, vomiting, convulsions, headache, palpitations or even death. It has been suggested that honey should not be considered a completely safe food. Copyright © 2013 John Wiley & Sons, Ltd.

  20. Antifungal Compounds from Cyanobacteria

    Directory of Open Access Journals (Sweden)

    Tânia K. Shishido

    2015-04-01

    Full Text Available Cyanobacteria are photosynthetic prokaryotes found in a range of environments. They are infamous for the production of toxins, as well as bioactive compounds, which exhibit anticancer, antimicrobial and protease inhibition activities. Cyanobacteria produce a broad range of antifungals belonging to structural classes, such as peptides, polyketides and alkaloids. Here, we tested cyanobacteria from a wide variety of environments for antifungal activity. The potent antifungal macrolide scytophycin was detected in Anabaena sp. HAN21/1, Anabaena cf. cylindrica PH133, Nostoc sp. HAN11/1 and Scytonema sp. HAN3/2. To our knowledge, this is the first description of Anabaena strains that produce scytophycins. We detected antifungal glycolipopeptide hassallidin production in Anabaena spp. BIR JV1 and HAN7/1 and in Nostoc spp. 6sf Calc and CENA 219. These strains were isolated from brackish and freshwater samples collected in Brazil, the Czech Republic and Finland. In addition, three cyanobacterial strains, Fischerella sp. CENA 298, Scytonema hofmanni PCC 7110 and Nostoc sp. N107.3, produced unidentified antifungal compounds that warrant further characterization. Interestingly, all of the strains shown to produce antifungal compounds in this study belong to Nostocales or Stigonematales cyanobacterial orders.

  1. Nomenclature on an inorganic compound

    International Nuclear Information System (INIS)

    1998-10-01

    This book contains eleven chapters : which mention nomenclature of an inorganic compound with introduction and general principle on nomenclature of compound. It gives the description of grammar for nomenclature such as brackets, diagonal line, asterisk, and affix, element, atom and groups of atom, chemical formula, naming by stoichiometry, solid, neutral molecule compound, ion, a substituent, radical and name of salt, oxo acid and anion on introduction and definition of oxo acid, coordination compound like symbol of stereochemistry , boron and hydrogen compound and related compound.

  2. Radiation synthesis of materials and compounds

    CERN Document Server

    Kharisov, Boris Ildusovich; Ortiz Méndez, Ubaldo

    2013-01-01

    Researchers and engineers working in nuclear laboratories, nuclear electric plants, and elsewhere in the radiochemical industries need a comprehensive handbook describing all possible radiation-chemistry interactions between irradiation and materials, the preparation of materials under distinct radiation types, the possibility of damage of materials under irradiation, and more. Radiation nanotechnology is still practically an undeveloped field, except for some achievements in the fabrication of metallic nanoparticles under ionizing flows. Radiation Synthesis of Materials and Compounds presents the state of the art of the synthesis of materials, composites, and chemical compounds, and describes methods based on the use of ionizing radiation. It is devoted to the preparation of various types of materials (including nanomaterials) and chemical compounds using ionizing radiation (alpha particles, beta particles, gamma rays, x-rays, and neutron, proton, and ion beams). The book presents contributions from leaders ...

  3. Environmentally acceptable thread compounds: Requirements defined

    International Nuclear Information System (INIS)

    Stringfellow, W.D.; Hendriks, R.V.; Jacobs, N.L.

    1993-01-01

    New environmental regulations on thread compounds are now being enforced in several areas with strong maritime tradition and a sensitive environment. These areas include Indonesia, Alaska and portions of Norway. The industry generally recognizes the environmental concerns but, with wider enforcement of regulations imminent, has not been able to define clearly the requirements for environmental compliance. This paper, written in collaboration with The Netherlands State Supervision of Mines, is based on the National Policy on Thread Compounds of The Netherlands. This national policy is representative of policies being followed by other North Sea governments. Similar policies might well be adopted by other governments worldwide. These policies will affect the operator, drilling contractor, and supplier. This paper provides a specific and detailed definition of thread compound requirements by addressing four relevant categories. The categories of interest are regulatory approval, environmental, health, and performance

  4. Teores de compostos orgânicos em cachaças produzidas na região norte fluminense - Rio de Janeiro Organic compounds contents in cachaças produced in the northern Rio de Janeiro State - RJ

    Directory of Open Access Journals (Sweden)

    Leandro Marelli de Souza

    2009-01-01

    Full Text Available This work aimed to quantify some organic compounds in "cachaças" (sugar cane spirit. The ethyl alcohol was quantified by densimetry, after distillation. The acetic acid, methyl alcohol, n-propyl alcohol, n-butyl alcohol, isobutyl alcohol, isoamyl alcohol (mixture of 2-methyl-butyl and 3-methyl-butyl, ethyl acetate and acetaldehyde were determined by gas chromatography; and the furfural, 5-hydroxy-methylfurfural and acrolein by high efficiency liquid chromatography. From the 30 samples analyzed, 63.3% showed non-conformity with national legislation regarding at least one of the analyzed components.

  5. Raman scattering in transition metal compounds: Titanium and compounds of titanium

    Energy Technology Data Exchange (ETDEWEB)

    Jimenez, J.; Ederer, D.L.; Shu, T. [Tulane Univ., New Orleans, LA (United States)] [and others

    1997-04-01

    The transition metal compounds form a very interesting and important set of materials. The diversity arises from the many states of ionization the transition elements may take when forming compounds. This variety provides ample opportunity for a large class of materials to have a vast range of electronic and magnetic properties. The x-ray spectroscopy of the transition elements is especially interesting because they have unfilled d bands that are at the bottom of the conduction band with atomic like structure. This group embarked on the systematic study of transition metal sulfides and oxides. As an example of the type of spectra observed in some of these compounds they have chosen to showcase the L{sub II, III} emission and Raman scattering in some titanium compounds obtained by photon excitation.

  6. Offset Compound Gear Drive

    Science.gov (United States)

    Stevens, Mark A.; Handschuh, Robert F.; Lewicki, David G.

    2010-01-01

    The Offset Compound Gear Drive is an in-line, discrete, two-speed device utilizing a special offset compound gear that has both an internal tooth configuration on the input end and external tooth configuration on the output end, thus allowing it to mesh in series, simultaneously, with both a smaller external tooth input gear and a larger internal tooth output gear. This unique geometry and offset axis permits the compound gear to mesh with the smaller diameter input gear and the larger diameter output gear, both of which are on the same central, or primary, centerline. This configuration results in a compact in-line reduction gear set consisting of fewer gears and bearings than a conventional planetary gear train. Switching between the two output ratios is accomplished through a main control clutch and sprag. Power flow to the above is transmitted through concentric power paths. Low-speed operation is accomplished in two meshes. For the purpose of illustrating the low-speed output operation, the following example pitch diameters are given. A 5.0 pitch diameter (PD) input gear to 7.50 PD (internal tooth) intermediate gear (0.667 reduction mesh), and a 7.50 PD (external tooth) intermediate gear to a 10.00 PD output gear (0.750 reduction mesh). Note that it is not required that the intermediate gears on the offset axis be of the same diameter. For this example, the resultant low-speed ratio is 2:1 (output speed = 0.500; product of stage one 0.667 reduction and stage two 0.750 stage reduction). The design is not restricted to the example pitch diameters, or output ratio. From the output gear, power is transmitted through a hollow drive shaft, which, in turn, drives a sprag during which time the main clutch is disengaged.

  7. Electronic configurations and energies in some thermodynamically correlated laves compounds

    International Nuclear Information System (INIS)

    Campbell, G.M.

    1979-04-01

    The known electronic configurations of simple elements in Laves compounds are correlated with those of the more complex systems to determine their electronic configurations and gaseous state promotion energies

  8. Toxicology of alkylmercury compounds.

    Science.gov (United States)

    Aschner, Michael; Onishchenko, Natalia; Ceccatelli, Sandra

    2010-01-01

    Methylmercury is a global pollutant and potent neurotoxin whose abundance in the food chain mandates additional studies on the consequences and mechanisms of its toxicity to the central nervous system. Formulation of our new hypotheses was predicated on our appreciation for (a) the remarkable affinity of mercurials for the anionic form of sulfhydryl (-SH) groups, and (b) the essential role of thiols in protein biochemistry. The present chapter addresses pathways to human exposure of various mercury compounds, highlighting their neurotoxicity and potential involvement in neurotoxic injury and neurodegenerative changes, both in the developing and senescent brain. Mechanisms that trigger these effects are discussed in detail.

  9. Compound composite odontoma

    Directory of Open Access Journals (Sweden)

    S Kailasam

    2012-01-01

    Full Text Available Odontomas are the most common type of odontogenic tumors and generally they are asymptomatic. Frequently, it may interfere with the eruption of the teeth. This is a case report of a compound composite odontoma in a 10-year-old girl, which results in failure of eruption of the permanent upper right central incisor while the contralateral tooth had erupted. A calcified mass was seen in the radiograph and was provisionally diagnosed as odontoma following which the odontoma was enucleated. Routine follow-up was done for more than a year and no recurrence was seen. This case report indicates that early diagnosis and management ensures better prognosis.

  10. Flavour Compounds in Fungi

    DEFF Research Database (Denmark)

    Ravasio, Davide Antonio

    . This selection of strains was used in fermentations with the aim of identifying new interesting flavour producers. Fermentation profiles, volatile analyses, off-flavour identification and resistance to osmotic/oxidative stress have been addressed to highlight new candidates to use for industrial applications....... This resulted in the identification of Wickerhamomyces anomalus and Pichia kluyveri as high producers of esters fruity compounds, which contribute to enhance the complexity of wine and beer product. In addition the strain Debaromyces subglobosus showed high yields of aldehydes and fruity ketones, which...

  11. Antifouling Compounds from Marine Invertebrates.

    Science.gov (United States)

    Qi, Shu-Hua; Ma, Xuan

    2017-08-28

    In this review, a comprehensive overview about the antifouling compounds from marine invertebrates is described. In total, more than 198 antifouling compounds have been obtained from marine invertebrates, specifically, sponges, gorgonian and soft corals.

  12. Antifouling Compounds from Marine Invertebrates

    OpenAIRE

    Qi, Shu-Hua; Ma, Xuan

    2017-01-01

    In this review, a comprehensive overview about the antifouling compounds from marine invertebrates is described. In total, more than 198 antifouling compounds have been obtained from marine invertebrates, specifically, sponges, gorgonian and soft corals.

  13. Thermal decomposition of zirconium compounds with some aromatic hydroxycarboxylic acids

    Energy Technology Data Exchange (ETDEWEB)

    Koshel, A V; Malinko, L A; Karlysheva, K F; Sheka, I A; Shchepak, N I [AN Ukrainskoj SSR, Kiev. Inst. Obshchej i Neorganicheskoj Khimii

    1980-02-01

    By the thermogravimetry method investigated are processes of thermal decomposition of different zirconium compounds with mandelic, parabromomandelic, salicylic and sulphosalicylic acids. For identification of decomposition products the specimens have been kept at the temperature of effects up to the constant weight. Taken are IR-spectra, rentgenoarams, carried out is elementary analysis of decomposition products. It is stated that thermal decomposition of the investigated compounds passes in stages; the final product of thermolysis is ZrO/sub 2/. Nonhydrolized compounds are stable at heating in the air up to 200-265 deg. Hydroxy compounds begin to decompose at lower temperature (80-100 deg).

  14. Preparation, composition, and solid state investigations of TiN, ZrN, NbN, and compounds from the pseudobinary systems NbN-NbC, NbN-TiC, and NbN-TiN

    International Nuclear Information System (INIS)

    Christensen, A.N.; Fregerslev, S.

    1977-01-01

    Single crystals of the cubic phases TiN, ZrN, delta-NbN and of compounds from the pseudobinary systems NbN-NbC, NbN-TiC, and NbN-TiN were obtained by zone melting, zone annealing and annealing of the metal carbides in nitrogen gas of 2 MPa. Single crystals of the tetragonal phase gamma-NbN were obtained in a similar way by annealing of niobium. The nitrides are non-stochiometric. TiN was obtained in the composition range TiNsub(0.99) to TiNsub(0.50), ZrN in the range ZrNsub(1.00) to ZrNsub(0.63), and in niobium nitrides were obtained in the composition range NbNsub(0.90) to NbNsub(0.69). The compounds from the pseudobinary systems have up to 35% vacant sites in the nitrogen-carbon sublattice. TiN and ZrN have only vacant sites in the nitrogen sublattice. A correlation is found between the unit cell parameters for titanium nitride and zirconium nitride and the nitrogen-metal ratios. (orig.) [de

  15. Electronic structure of A15 compounds

    International Nuclear Information System (INIS)

    Pickett, W.E.

    1980-01-01

    For the past twenty-five years compounds with the A15 crystal structure have dominated the class of high temperature superconductors. The crystal structure of an A15 compound A 3 B is cubic (space group O/sub h/ 3 ). However, the site symmetry (D/sub 2d/) of the A atoms is much lower than cubic, an unusual occurrence in cubic binary compounds. Variations on this theme have supplied the basis of many theoretical models of the anomalous temperature (T) dependence of normal state properties and the low temperature cubic reversible tetragonal structural transformations which accompany high values of T/sub c/ in A15 compounds. In this paper results of self-consistent pseudopotential band structure calculations are used to assess some important aspects of the unique and unusual behavior in A15 compounds: (1) the role of the B atom in determining the overall electronic structure will be shown to be important; (2) the effect of the low site symmetry of the A atom on the charge density and potential will be assessed; and (3) the bonding will be shown to be metallic-covalent with no significant A-B charge transfer

  16. Catalytic properties of niobium compounds

    International Nuclear Information System (INIS)

    Tanabe, K.; Iizuka, T.

    1983-04-01

    The catalytic activity and selectivity of niobium compounds including oxides, salts, organometallic compounds and others are outlined. The application of these compounds as catalysts to diversified reactions is reported. The nature and action of niobium catalysts are characteristic and sometimes anomalous, suggesting the necessity of basic research and the potential use as catalysts for important processes in the chemical industry. (Author) [pt

  17. Molecular modeling of inorganic compounds

    National Research Council Canada - National Science Library

    Comba, Peter; Hambley, Trevor W; Martin, Bodo

    2009-01-01

    ... mechanics to inorganic and coordination compounds. Initially, simple metal complexes were modeled, but recently the field has been extended to include organometallic compounds, catalysis and the interaction of metal ions with biological macromolecules. The application of molecular mechanics to coordination compounds is complicated by the numbe...

  18. Organometallic compounds in the environment

    National Research Council Canada - National Science Library

    Craig, P. J

    2003-01-01

    ... of Organometallic Species in the Environment 20 1.10 Stability of Organometallic Compounds in Biological Systems 1.11 G eneral Comments on the Toxicities of Organometallic Compounds 22 1.12 General Considerations on Environmental R eactivity of Organometallic Compounds 24 1.13 Microbial Biotransformation of Metals and M etalloids 25 1.13.1 Introduction 25 1...

  19. Goldenphilicity: Luminescent gold compounds

    International Nuclear Information System (INIS)

    Sansores, L.E.

    2002-01-01

    In the solids and molecules different types of bonds are presented depending on the involved atoms, covalent bonds are common among elements of open shell, where more bond orbitals are filled than anti bond orbitals. It is expected that ionic bonds among closed shell atoms which have charges of opposite sign. Bonds type Van der Waals are presented among molecules which have a bipolar moment. It would not be expected bonds among zero charge species, or more generally with the same nominal charge and in any case the attractive forces would be very small. In fact it is expected that two metallic cations to be repelled each other. There recently is evidence that in organic or organometallic compounds could exist attractive interactions between two cations of the d 8 -d 10 -s 2 families. These bonds are weak but stronger than those of Van der Waals. They are compared with the hydrogen bonds. In this work it was reviewed some examples in which the goldenphilicity plays an important role in the luminescence that the gold complexes present. Examples of mono, bi and trinuclear and the structures that these organometallic compounds could take are examined. (Author)

  20. Antimicrobial compounds from Alpinia conchigera.

    Science.gov (United States)

    Aziz, Ahmad Nazif; Ibrahim, Halijah; Rosmy Syamsir, Devi; Mohtar, Mastura; Vejayan, Jaya; Awang, Khalijah

    2013-02-13

    The rhizome of Alpinia conchigerahas been used as a condiment in the northern states of Peninsular Malaysia and occasionally in folk medicine in the east coast to treat fungal infections. In some states of Peninsular Malaysia, the rhizomes are consumed as a post-partum medicine and the young shoots are prepared into a vegetable dish. This study aimed to investigate the chemical constituents of the pseudostems and rhizomes of Malaysian Alpinia conchigera and to evaluate the antimicrobial activity of the dichloromethane (DCM) extracts of the pseudostems, rhizomes and the isolated compounds against three selected fungi and five strains of Staphylococcus aureus. The dried and ground pseudostems (0.8kg) and rhizomes (1.0kg) were successively extracted in Soxhlet extractor using n-hexane, dichloromethane (DCM) and methanol. The n-hexane and DCM extracts of the pseudostem and rhizome were subjected to isolation and purification using column chromatography on silica gel using a stepwise gradient system (n-hexane to methanol). Briefly, a serial two fold dilutions of the test materials dissolved in DMSO were prepared prior to addition of 100μl overnight microbial suspension (108 cfu/ml) followed by incubation at 37°C (bacteria) or 26°C (dermatophytes and candida) for 24h. The highest concentration of DMSO remaining after dilution (5%, v/v) caused no inhibition to bacterial/candida/dermatophytes' growth. Antibiotic cycloheximide was used as reference for anticandidal and antidermatophyte comparison while oxacilin was used as reference for antibacterial testing. DMSO served as negative control. Turbidity was taken as indication of growth, thus the lowest concentration which remains clear after macroscopic evaluation was taken as the minimum inhibitory concentration (MIC). The isolation of n-hexane and DCM extracts of the rhizomes and pseudostems of Alpinia conchigera via column chromatography yielded two triterpenes isolated as a mixture of stigmasterol and

  1. Multi-Phase Equilibrium and Solubilities of Aromatic Compounds and Inorganic Compounds in Sub- and Supercritical Water: A Review.

    Science.gov (United States)

    Liu, Qinli; Ding, Xin; Du, Bowen; Fang, Tao

    2017-11-02

    Supercritical water oxidation (SCWO), as a novel and efficient technology, has been applied to wastewater treatment processes. The use of phase equilibrium data to optimize process parameters can offer a theoretical guidance for designing SCWO processes and reducing the equipment and operating costs. In this work, high-pressure phase equilibrium data for aromatic compounds+water systems and inorganic compounds+water systems are given. Moreover, thermodynamic models, equations of state (EOS) and empirical and semi-empirical approaches are summarized and evaluated. This paper also lists the existing problems of multi-phase equilibria and solubility studies on aromatic compounds and inorganic compounds in sub- and supercritical water.

  2. Compound process fuel cycle concept

    International Nuclear Information System (INIS)

    Ikegami, Tetsuo

    2005-01-01

    Mass flow of light water reactor spent fuel for a newly proposed nuclear fuel cycle concept 'Compound Process Fuel Cycle' has been studied in order to assess the capacity of the concept for accepting light water reactor spent fuels, taking an example for boiling water reactor mixed oxide spent fuel of 60 GWd/t burn-up and for a fast reactor core of 3 GW thermal output. The acceptable heavy metal of boiling water reactor mixed oxide spent fuel is about 3.7 t/y/reactor while the burn-up of the recycled fuel is about 160 GWd/t and about 1.6 t/y reactor with the recycled fuel burn-up of about 300 GWd/t, in the case of 2 times recycle and 4 times recycle respectively. The compound process fuel cycle concept has such flexibility that it can accept so much light water reactor spent fuels as to suppress the light water reactor spent fuel pile-up if not so high fuel burn-up is expected, and can aim at high fuel burn-up if the light water reactor spent fuel pile-up is not so much. Following distinctive features of the concept have also been revealed. A sort of ideal utilization of boiling water reactor mixed oxide spent fuel might be achieved through this concept, since both plutonium and minor actinide reach equilibrium state beyond 2 times recycle. Changes of the reactivity coefficients during recycles are mild, giving roughly same level of reactivity coefficients as the conventional large scale fast breeder core. Both the radio-activity and the heat generation after 4 year cooling and after 4 times recycle are less than 2.5 times of those of the pre recycle fuel. (author)

  3. Gel chromatography of sup(99m)Tc-labelled compounds

    International Nuclear Information System (INIS)

    Vilcek, S.; Machan, V.; Kalincak, M.

    1976-01-01

    The present state of gel chromatography of sup(99m)Tc-labelled compounds is reviewed. Examples are given of gel chromatography for preparing labelled compounds and for quality control analysis and the development of new types of sup(99m)Tc-labelled compounds. The factors which influence the gel chromatography of these compounds are discussed, i.e., the nature of the elution agent, the duration of the contact of the gel and the preparation the gel type, the nature of the labelled compound. The GCS method (gel chromatography scanning) is briefly described. The advantages of gel chromatography as compared with other chromatographic techniques for sup(99m)Tc-labelled compounds are summarized. (author)

  4. Semiconducting III-V compounds

    CERN Document Server

    Hilsum, C; Henisch, Heinz R

    1961-01-01

    Semiconducting III-V Compounds deals with the properties of III-V compounds as a family of semiconducting crystals and relates these compounds to the monatomic semiconductors silicon and germanium. Emphasis is placed on physical processes that are peculiar to III-V compounds, particularly those that combine boron, aluminum, gallium, and indium with phosphorus, arsenic, and antimony (for example, indium antimonide, indium arsenide, gallium antimonide, and gallium arsenide).Comprised of eight chapters, this book begins with an assessment of the crystal structure and binding of III-V compounds, f

  5. Optical spectroscopy of f-element compounds

    International Nuclear Information System (INIS)

    Carnall, W.T.

    1978-01-01

    It is noted that the energies and intensities of transitions observed in the optical spectra of lanthanide (Ln) and actinide (An) compounds can typically be measured with a high degree of accuracy. The observed transitions can then be directly represented as upper state energy levels where the structure is induced by the environment. A discussion is presented of the systematic theoretical interpretation of these transitions both in terms of energy level structure and transition probability. Particularly for the trivalent lanthanides and actinides, the detail to which the interpretation can be carried is unique in the periodic table. The electronic structure of organometallic lanthanides and actinides is emphasized in the discussion. It is made clear that this type of ligand does not present any unique interpretive problems. The basic framework of the interpretation is not dependent upon the specific ionic environment. On the other hand, organometallic compounds represent a particularly interesting group in which to study excited state relaxation

  6. Oxyfluoride Chemistry of Layered Perovskite Compounds

    Directory of Open Access Journals (Sweden)

    Yoshihiro Tsujimoto

    2012-03-01

    Full Text Available In this paper, we review recent progress and new challenges in the area of oxyfluoride perovskite, especially layered systems including Ruddlesden-Popper (RP, Dion-Jacobson (DJ and Aurivillius (AV type perovskite families. It is difficult to synthesize oxyfluoride perovskite using a conventional solid-state reaction because of the high chemical stability of the simple fluoride starting materials. Nevertheless, persistent efforts made by solid-state chemists have led to a major breakthrough in stabilizing such a mixed anion system. In particular, it is known that layered perovskite compounds exhibit a rich variety of O/F site occupation according to the synthesis used. We also present the synthetic strategies to further extend RP type perovskite compounds, with particular reference to newly synthesized oxyfluorides, Sr2CoO3F and Sr3Fe2O5+xF2−x (x ~ 0.44.

  7. The use of radon (Rn-222) and volatile organic compounds in monitoring soil gas to localize NAPL contamination at a gas station in Rio Claro, São Paulo State, Brazil

    International Nuclear Information System (INIS)

    Barbosa, E.Q.; Galhardi, J.A.; Bonotto, D.M.

    2014-01-01

    This study focuses on the presence of radon ( 222 Rn) and volatile organic compounds (VOCs) in soil gases at a gas station located in the city of Rio Claro, São Paulo, Brazil, where a fossil fuel leak occurred. The spatial distribution results show a correlation between 222 Rn and VOCs, consistent with the fact that radon gas has a greater chemical affinity with organic phases than with water. This finding demonstrates that the presence of a residual hydrocarbon phase in an aquifer can retain radon, leading to a reduced radon content in the soil gas. The data in this study confirm the results of previous investigations, in which the method used in this study provided a preliminary fingerprint of a contaminated area. Furthermore, the data analysis time is brief, and only simple equipment is required. - Highlights: • 222 Rn in soil gases. • Correlation between 222 Rn and VOCs. • Useful method as a preliminary fingerprint of a contaminated area

  8. Nd2(SeO3)2(SeO4) . 2H2O - a mixed-valence compound containing selenium in the oxidation states +IV and +VI

    International Nuclear Information System (INIS)

    Berdonosov, P.S.; Dityat'yev, O.A.; Dolgikh, V.A.; Schmidt, P.; Ruck, Michael; Lightfoot, P.

    2004-01-01

    Pale pink crystals of Nd 2 (SeO 3 ) 2 (SeO 4 ) . 2H 2 O were synthesized under hydrothermal conditions from H 2 SeO 3 and Nd 2 O 3 at about 200 C. X-ray diffraction on powder and single-crystals revealed that the compound crystallizes with the monoclinic space group C 2/c (a = 12.276(1) A, b = 7.0783(5) A, c = 13.329(1) A, β = 104.276(7) ). The crystal structure of Nd 2 (SeO 3 ) 2 (SeO 4 ) . 2H 2 O is an ordered variant of the corresponding erbium compound. Eight oxygen atoms coordinate the Nd III atom in the shape of a bi-capped trigonal prism. The oxygen atoms are part of pyramidal (Se IV O 3 ) 2- groups, (Se VI O 4 ) 2- tetrahedra and water molecules. The [NdO 8 ] polyhedra share edges to form chains oriented along [010]. The selenate ions link these chains into layers parallel to (001). The layers are interconnected by the selenite ions into a three-dimensional framework. The dehydration of Nd 2 (SeO 3 ) 2 (SeO 4 ) . 2H 2 O starts at 260 C. The thermal decomposition into Nd 2 SeO 5 , SeO 2 and O 2 at 680 C is followed by further loss of SeO 2 leaving cubic Nd 2 O 3 . (Abstract Copyright [2004], Wiley Periodicals, Inc.) [de

  9. Aromatic compounds from three Brazilian Lauraceae species

    Energy Technology Data Exchange (ETDEWEB)

    Batista, Andrea Nastri de Luca; Batista Junior, Joao Marcos; Lopez, Silvia Noeli; Furlan, Maysa; Cavalheiro, Alberto Jose; Silva, Dulce Helena Siqueira; Bolzani, Vanderlan da Silva [UNESP, Araraquara, SP (Brazil). Inst. de Quimica. Dept. de Quimica Organica; Nunomura, Sergio Massayoshi [Instituto Nacional de Pesquisa da Amazonia (INPA), Manaus, AM (Brazil). Dept. de Produtos Naturais; Yoshida, Massayoshi [Centro de Biotecnologia da Amazonia, Manaus, AM (Brazil)

    2010-07-01

    Phytochemical investigations on three Brazilian Lauraceae species from the Cerrado region of Sao Paulo State, Ocotea corymbosa (Meins) Mez., O. elegans Mez. and Persea pyrifolia Nees and Mart. ex Nees resulted in the isolation of flavonoids, an ester of the 4-O-E-caffeoylquinic acid, an aromatic sesquiterpene besides furofuran lignans. This is the first chemical study on the leaves of Ocotea elegans and O. corymbosa as well as the first report of non-volatile compounds from Persea pyrifolia. (author)

  10. Aromatic compounds from three Brazilian Lauraceae species

    International Nuclear Information System (INIS)

    Batista, Andrea Nastri de Luca; Batista Junior, Joao Marcos; Lopez, Silvia Noeli; Furlan, Maysa; Cavalheiro, Alberto Jose; Silva, Dulce Helena Siqueira; Bolzani, Vanderlan da Silva

    2010-01-01

    Phytochemical investigations on three Brazilian Lauraceae species from the Cerrado region of Sao Paulo State, Ocotea corymbosa (Meins) Mez., O. elegans Mez. and Persea pyrifolia Nees and Mart. ex Nees resulted in the isolation of flavonoids, an ester of the 4-O-E-caffeoylquinic acid, an aromatic sesquiterpene besides furofuran lignans. This is the first chemical study on the leaves of Ocotea elegans and O. corymbosa as well as the first report of non-volatile compounds from Persea pyrifolia. (author)

  11. Parity violation in the compound nucleus

    International Nuclear Information System (INIS)

    Mitchell, G. E.; Crawford, B. E.; Grossmann, C. A.; Lowie, L. Y.; Bowman, J. D.; Knudson, J.; Penttilae, S.; Seestrom, S. J.; Smith, D. A.; Yen, Yi-Fen; Yuan, V. W.; Delheij, P. P. J.; Haseyama, T.; Masaike, A.; Matsuda, Y.; Postma, H.; Roberson, N. R.; Sharapov, E. I.; Stephenson, S. L.

    1999-01-01

    Measurements have been performed on the helicity dependence of the neutron resonance cross section for many nuclei by our TRIPLE Collaboration. A large number of parity violations are observed. Generic enhancements amplify the signal for symmetry breaking and the stochastic properties of the compound nucleus permit the strength of the symmetry-breaking interaction to be determined without knowledge of the wave functions of individual states. A total of 15 nuclei have been analyzed with this statistical approach. The results are summarized

  12. Volatile organic compounds

    International Nuclear Information System (INIS)

    Silseth, May Liss

    1998-01-01

    The goal is: Not more emission of volatile organic compounds (VOCs) than necessary. The items discussed in this presentation are the VOCs, how to calculate emission of VOCs, how to reduce or avoid them, and different recovery processes. The largest source of Norwegian emissions of non methane VOCs (NMVOCs) is offshore loading of raw petroleum. Emissions of VOCs should be reduced mainly for two reasons: (1) on sunny days NMVOCs may react with NOx to form ozon and smog close to the surface, (2) ozone and smog close to the surface may be harmful to plants and animals, and they are hazardous to human health. As for the calculation of VOC emissions, the VOCON project will release the calculation program HCGASS in 1999. This project is a cooperative project headed by SINTEF/Marintek

  13. Synthesis of labeled compounds

    International Nuclear Information System (INIS)

    Whaley, T.W.

    1977-01-01

    Intermediate compounds labeled with 13 C included methane, sodium cyanide, methanol, ethanol, and acetonitrile. A new method for synthesizing 15 N-labeled 4-ethylsulfonyl-1-naphthalene-sulfonamide was developed. Studies were conducted on pathways to oleic-1- 13 C acid and a second pathway investigated was based on carbonation of 8-heptadecynylmagnesium bromide with CO 2 to prepare sterolic acid. Biosynthetic preparations included glucose- 13 C from starch isolated from tobacco leaves following photosynthetic incubation with 13 CO 2 and galactose- 13 C from galactosylglycerol- 13 C from kelp. Research on growth of organisms emphasized photosynthetic growth of algae in which all cellular carbon is labeled. Preliminary experiments were performed to optimize the growth of Escherichia coli on sodium acetate- 13 C

  14. Deposition of acidifying compounds

    International Nuclear Information System (INIS)

    Fowler, D.; Cape, J.N.; Sutton, M.A.; Mourne, R.; Hargreaves, K.J.; Duyzer, J.H.; Gallagher, M.W.

    1992-01-01

    Inputs of acidifying compounds to terrestrial ecosystems include deposition of the gases NO 2 , NO, HNO 2 , HNO 3 , NH 3 and SO 2 and the ions NO 3- , NH 4+ , SO 4 2- and H + in precipitation, cloud droplets and particles. Recent research has identified particular ecosystems and regions in which terrestrial effects are closely linked with specific deposition processes. This review paper identifies areas in which important developments have occurred during the last five years and attempts to show which aspects of the subject are most important for policy makers. Amongst the conclusions drawn, the authors advise that current uncertainties in estimates of S and N inputs by dry deposition should be incorporated in critical load calculations, and that, in regions dominated by wet deposition, spatial resolution of total inputs should be improved to match the current scales of information on landscape sensitivity to acidic inputs. 44 refs., 9 figs

  15. Technetium complexation by macrocyclic compounds

    International Nuclear Information System (INIS)

    Li Fan Yu.

    1983-01-01

    Research in nuclear medicine are directed towards the labelling of biological molecules, however, sup(99m)Tc does not show sufficient affinity for these molecules. The aim of this study was to evaluate the ability of macrocyclic compounds to bind strongly technetium in order to be used as complexation intermediate. The reducing agents used were a stannous complex and sodium dithionite. Cryptates and polyesters are not good complexing agents. They form two complexes: a 2:1 sandwich complex or 3:2 and a 1:1 complex. Cyclams are good complexing agents for technetium their complexations strength was determined by competition with pyrophosphate, gluconate and DTPA. Using the method of ligand exchange, the oxidation state of technetium in the Tc-cyclam complex was IV or V. They are 1:1 cationic complexes, the complex charge is +1. The biodistribution in rats of labelling solutions containing (cyclam 14 ane N 4 ) C 12 H 25 shows a good urinary excretion without intoxication risks [fr

  16. Mutagenesis of metal compounds in bacteria

    Energy Technology Data Exchange (ETDEWEB)

    Nishioka, H

    1974-01-01

    The mutagenic activity of 41 metal compounds was examined by applying the Rec-assay method with Bacillus subtilis H17 (rec/sup +/) and M45 (rec/sup -/) strains. Among these compounds, Na/sub 2/HAsO/sub 4/, CdCl/sub 2/, K/sub 2/CrO/sub 4/, K/sub 2/Cr/sub 2/O/sub 7/, CH/sub 3/HgCl, C/sub 2/H/sub 5/HgCl, CH/sub 3/COOHgC/sub 6/H/sub 5/, MnCl/sub 2/, MnNO/sub 3/, MnSO/sub 4/, Mn(CH/sub 3/COO)/sub 2/, (NH/sub 4/)/sub 2/MoO/sub 4/ and KMoO/sub 4/ showed positive results. The reactions of K/sub 2/Cr/sub 2/O/sub 7/ and (NH/sub 4/)/sub 2/MoO/sub 4/ were especially strong in the assay. Therefore, mutation induction to reversion (try/sup +/) and streptomycin resistance (SM/sup r/) of E. coli B/r WP2 try/sup -/ (hcl/sup +/ and hcr/sup -/) by the two compounds were examined by the following two experimental procedures. Stationary phase bacteria were exposed to the compounds at high concentrations (6.9 x 10/sup -3/ approx. 3.44 x 10/sup -2/M) in M9 buffer for 15 min at 37/sup -/ with shaking. After incubation at 37/sup 0/ for 48 h visible colonies on the plates were scored. Bacteria in M9 buffer were plated in media supplemented with low concentrations (1.7 x 10/sup -5/ approx. 3.4 x 10/sup -5/M) of the compounds. K/sub 2/Cr/sub 2/O/sub 7/ and (NH/sub 4/)/sub 2/MoO/sub 4/ increased the mutation rate of SM/sup r/ and try/sup +/ in both strains treated with either procedure. No marked differences in mutation rate were found between hcr/sup +/ and hcr/sup -/. After treatment with high concentrations of compounds one can imagine that a peroxidation state produced by these peroxides in the media might affect the killing and mutation induction. These results suggest the possibility that the mutagenesis of the metals relate to their atomic values, rather than the peroxidation state as far as these two compounds are concerned.

  17. TSTA compound cryopump

    International Nuclear Information System (INIS)

    Batzer, T.H.; Patrick, R.E.; Call, W.R.

    1980-01-01

    The Tritium System Test Assembly (TSTA), at the Los Alamos Scientific Laboratory, is intended to demonstrate realistic fuel supply and cleanup scenarios for future fusion reactors. The vacuum pumps must be capable of handling large quantities of reactor exhaust gases consisting largely of mixtures of hydrogen and helium isotopes. Cryocondensing pumps will not pump helium at 4.2 K; while cryosorption pumps using molecular sieves or charcoal have good helium pumping speed, the adsorbent clogs with condensed hydrogen while pumping mixtures of both. A solution to this problem is a compound design whereby the first stage condenses the hydrogen and the second, or sorption, stage pumps the helium. The TSTA pump designed at Lawrence Livermore National Laboratory uses argon gas to cryotrap the helium in the helium-hydrogen mixture. The argon is sprayed directly onto the 4.2 K surface at a rate proportional to the helium flow rate, permitting continuous pumping of the helium-hydrogen mixtures in a single-stage pump. However, the possibility of differential desorption as a first stage in the TSTA gas separation cycle required the inclusion of a first-stage hydrogen isotope condenser. The design, performance, and operating characteristics are discussed

  18. Pluto's Nonvolatile Chemical Compounds

    Science.gov (United States)

    Grundy, William M.; Binzel, Richard; Cook, Jason C.; Cruikshank, Dale P.; Dalle Ore, Cristina M.; Earle, Alissa M.; Ennico, Kimberly; Jennings, Donald; Howett, Carly; Kaiser, Ralf-Ingo; Linscott, Ivan; Lunsford, A. W.; Olkin, Catherine B.; Parker, Alex Harrison; Parker, Joel Wm.; Philippe, Sylvain; Protopapa, Silvia; Quirico, Eric; Reuter, D. C.; Schmitt, Bernard; Singer, Kelsi N.; Spencer, John R.; Stansberry, John A.; Stern, S. Alan; Tsang, Constantine; Verbiscer, Anne J.; Weaver, Harold A.; Weigle, G. E.; Young, Leslie

    2016-10-01

    Despite the migration of Pluto's volatile ices (N2, CO, and CH4) around the surface on seasonal timescales, the planet's non-volatile materials are not completely hidden from view. They occur in a variety of provinces formed over a wide range of timescales, including rugged mountains and chasms, the floors of mid-latitude craters, and an equatorial belt of especially dark and reddish material typified by the informally named Cthulhu Regio. NASA's New Horizons probe observed several of these regions at spatial resolutions as fine as 3 km/pixel with its LEISA imaging spectrometer, covering wavelengths from 1.25 to 2.5 microns. Various compounds that are much lighter than the tholin-like macromolecules responsible for the reddish coloration, but that are not volatile at Pluto surface temperatures such as methanol (CH3OH) and ethane (C2H6) have characteristic absorption bands within LEISA's wavelength range. This presentation will describe their geographic distributions and attempt to constrain their origins. Possibilities include an inheritance from Pluto's primordial composition (the likely source of H2O ice seen on Pluto's surface) or ongoing production from volatile precursors through photochemistry in Pluto's atmosphere or through radiolysis on Pluto's surface. New laboratory data inform the analysis.This work was supported by NASA's New Horizons project.

  19. Affixation and compounding in Hakka

    OpenAIRE

    Ungsitipoonporn, Siriopen

    2014-01-01

    This paper aims to present the internal structures of words in the Hakka language. Similar to other languages, affixation and compounding are outstanding in Hakka. In general, prefixes and suffixes are bound morphemes which do not occur independently, but in Hakka they sometimes appear as independent forms. Apart from single words, identifying compound words is of particular interest. Compound nouns can be made up of two or three words (characters) which ...

  20. Synthesis and characterization of volatile technetium compound

    International Nuclear Information System (INIS)

    Childs, Bradley C.; Poineau, Frederic; Czerwinski, Ken R.

    2013-01-01

    Technetium-99 is an important fission (T 1/2 = 2.13.105 y) product of the nuclear industry. Technetium in its highest oxidation state (VII) is highly mobile and can represent a threat to the environment. There are over 55 million gallons of high level mixed waste located at the Hanford site. Waste tanks at the Hanford site contain Tc that could potentially leak, and in the context of management of technetium, a glass waste form was proposed to counteract the issue. In the process of synthesizing melt glass between the temperatures of 600°C and 1100°C, volatile technetium compounds were observed in the reaction tube. These compounds displayed characteristic colors based upon the reaction environments of either breathing air or nitrogen gas. A breathing air atmosphere produces a red compound that adheres to the walls of the reaction tube. An atmosphere of nitrogen gas produces a white compound that was observed on the walls of the reaction tube. (author)

  1. Natural compounds with herbicidal activity

    Directory of Open Access Journals (Sweden)

    Mariano Fracchiolla

    2007-12-01

    Full Text Available Research about phytotoxic activity of natural compounds could lead both to find new herbicidal active ingredients and to plan environmental friendly weed control strategies. Particularly, living organisms could be a source of compounds that are impossible, for their complexity, to synthesize artificially. More over, they could have alternative sites of action respect to the known chemical herbicides and, due to their origin, they should be more environmental safe. Many living organism, such as bacteria, fungi, insects, lichens and plants, are able to produce bioactive compounds. They generally are secondary metabolites or simply waste molecules. In this paper we make a review about these compounds, highlighting potential and constraints.

  2. Natural compounds with herbicidal activity

    Directory of Open Access Journals (Sweden)

    Pasquale Montemurro

    2011-02-01

    Full Text Available Research about phytotoxic activity of natural compounds could lead both to find new herbicidal active ingredients and to plan environmental friendly weed control strategies. Particularly, living organisms could be a source of compounds that are impossible, for their complexity, to synthesize artificially. More over, they could have alternative sites of action respect to the known chemical herbicides and, due to their origin, they should be more environmental safe. Many living organism, such as bacteria, fungi, insects, lichens and plants, are able to produce bioactive compounds. They generally are secondary metabolites or simply waste molecules. In this paper we make a review about these compounds, highlighting potential and constraints.

  3. Antimicrobial compounds in tears.

    Science.gov (United States)

    McDermott, Alison M

    2013-12-01

    The tear film coats the cornea and conjunctiva and serves several important functions. It provides lubrication, prevents drying of the ocular surface epithelia, helps provide a smooth surface for refracting light, supplies oxygen and is an important component of the innate defense system of the eye providing protection against a range of potential pathogens. This review describes both classic antimicrobial compounds found in tears such as lysozyme and some more recently identified such as members of the cationic antimicrobial peptide family and surfactant protein-D as well as potential new candidate molecules that may contribute to antimicrobial protection. As is readily evident from the literature review herein, tears, like all mucosal fluids, contain a plethora of molecules with known antimicrobial effects. That all of these are active in vivo is debatable as many are present in low concentrations, may be influenced by other tear components such as the ionic environment, and antimicrobial action may be only one of several activities ascribed to the molecule. However, there are many studies showing synergistic/additive interactions between several of the tear antimicrobials and it is highly likely that cooperativity between molecules is the primary way tears are able to afford significant antimicrobial protection to the ocular surface in vivo. In addition to effects on pathogen growth and survival some tear components prevent epithelial cell invasion and promote the epithelial expression of innate defense molecules. Given the protective role of tears a number of scenarios can be envisaged that may affect the amount and/or activity of tear antimicrobials and hence compromise tear immunity. Two such situations, dry eye disease and contact lens wear, are discussed here. Copyright © 2013 Elsevier Ltd. All rights reserved.

  4. Unstable magnetic moments in Ce compounds

    International Nuclear Information System (INIS)

    Aarts, J.

    1984-01-01

    The problems which are connected with the appearance or disappearance of local moments in metals are well reflected in the magnetic behaviour of Ce intermetallic compounds. This work describes experiments on two Ce compounds which are typical examples of unstable moment systems. The first of these is CeAl 2 which at low temperatures, shows coexistence of antiferromagnetic order and the Kondo effect. Measurements are presented of the magnetization and the susceptibility in different magnetic field and temperature regions. An analysis of these measurements, using a model for the crystal field effects, shows the agreement between the measurements and the calculations to be reasonably good for CeAl 2 , but this agreement becomes worse upon decreasing Ce concentration. A phenomenological description of the observations is given. The second compound reported on is CeCu 2 Si 2 , the first 'heavy-fermion' superconductor to be investigated. The superconducting state is possibly formed by the quasi-particles of a non-magnetic many body singlet state, and not simply by the (sd) conduction electrons. This being a novel phenomenon, a number of experiments were performed to test this picture and to obtain a detailed description of the behaviour of CeCu 2 Si 2 . Measurements of the Meissner volume, confirmed the superconductivity to be intrinsic. (Auth.)

  5. cyclo-addition reaction of triplet carbonyl compounds to substituted ...

    Indian Academy of Sciences (India)

    Unknown

    cited state energy of the olefin must be higher than that of the ketone so that ... the first singlet and triplet1,3 (n, π*) excited state of the carbonyl compounds.3,4 ... of the oxetane via carbon–carbon and carbon–oxygen attacks. They found the ...

  6. II-VI semiconductor compounds

    CERN Document Server

    1993-01-01

    For condensed matter physicists and electronic engineers, this volume deals with aspects of II-VI semiconductor compounds. Areas covered include devices and applications of II-VI compounds; Co-based II-IV semi-magnetic semiconductors; and electronic structure of strained II-VI superlattices.

  7. Compound-heterozygous Marfan syndrome

    NARCIS (Netherlands)

    van Dijk, F. S.; Hamel, B. C.; Hilhorst-Hofstee, Y.; Mulder, B. J. M.; Timmermans, J.; Pals, G.; Cobben, J. M.

    2009-01-01

    We report two families in which the probands have compound-heterozygous Marfan syndrome (MFS). The proband of family I has the R2726W FBN1 mutation associated with isolated skeletal features on one allele and a pathogenic FBN1 mutation on the other allele. The phenotype of the compound-heterozygous

  8. Radioactive decay and labeled compounds

    International Nuclear Information System (INIS)

    Anon.

    1991-01-01

    This chapter on radioactive decay and labeled compounds has numerous intext equations and worked, sample problems. Topics covered include the following: terms and mathematics of radioactive decay; examples of calculations; graphs of decay equations; radioactivity or activity; activity measurements; activity decay; half-life determinations; labeled compounds. A 20 problem set is also included. 1 ref., 4 figs., 1 tab

  9. Radiolysis of other organic compounds

    International Nuclear Information System (INIS)

    Pikaev, A.K.

    1986-01-01

    Peculiarities of radiolysis of organic halogen, phosphorus, sulfur and nitrogen (including amines, amides, nitriles et al.) compounds in liquid phase are discussed. Intermediate and stable finish products of radiolysis of the given compounds, properties and radiochemical yields of these products are considered

  10. 2. Intermetallic compounds with lanthanides

    International Nuclear Information System (INIS)

    Elemans, J.B.A.A.

    1975-01-01

    Theoretical considerations are given concerning the structures of intermetallic compounds of the lanthanides and thorium (R) on the one hand, and with Fe, Co or Ni (M) on the other. They all derive from the parent composition RM 5 with the CaCu 5 hexagonal structure. This consists of alternate layers in which the M atoms are distinguished as M 1 and M 2 . The other compounds whose structures are studied are obtained by systematic replacement of R by M, or vice versa. In the first type, every third R is replaced by two M's yielding R 2 M 17 compounds. The substitution may be truly random or structured in two ways: so that either the hexagonal structure is maintained or that it is converted into a rhombihedral one. In the second type, one M (in a M 1 position) out of every five is replaced by one R, giving rise to RM 2 compounds which form Laves phases. In the third type, the M 1 's are replaced by R's, resulting in compounds RM 3 . In the fourth type, every third M is replaced by R, yielding R 2 M 7 compounds. With M = Co and R a light lanthanide, the compounds are ferromagnets; with R yttrium, thorium, or a heavy lanthanide, they are ferrimagnets. The preparation of the compounds in an arc-melting apparatus under an Ar-atmosphere followed by annealing is described

  11. Xenobiotic organic compounds in wastewater

    DEFF Research Database (Denmark)

    Eriksson, Eva; Baun, Anders; Henze, Mogens

    2002-01-01

    hundred of XOCs, among them mainly originating from hygiene products: chlorophenols, detergents and phthalates. Several compounds not deriving from hygiene products were also identified e.g. flame-retardants and drugs. A environmental hazard identification showed that a large number of compounds with high...

  12. EFFECT OF A LIPOSOMAL PREPARATION OF VITAMINS A, E AND ORGANIC COMPOUNDS OF TRACE ELEMENTS OF Zn, Se, I ON THE PHYSIOLOGICAL STATE OF BROOD CARP (CYPRINUS CARPIO DURING PRESPAWNING PERIOD

    Directory of Open Access Journals (Sweden)

    Yu. Zabytivskyi

    2014-12-01

    Full Text Available Purpose. Evaluation of the physiological and biochemical status of the organism of brood carps, which during spawning period were fed with a liposomal preparation with a vitamins A, E and organic compounds of microelements of Zn, Se, І. Methodology. During a 30-day prespawning period, the experimental group of brood carp received a complex liposomal preparation, which included: vitamin A – 5000 IU/kg, vitamin E – 10 mg/kg, Zn – 15 mg/kg (zinc glutamate, Se – 0.3 mg/kg (commercial preparation «Sel-Plex», І – 5 mg/kg (experimental preparation «Lipoiodine» and sunflower phospholipid – 100 mg/kg. The liposomal emulsion prepared in an ultrasonic disperser at a frequency 35 Hz. Determinations of activity of ALT, AST, ALP, Chol, Ck, and to content of cholesterol, urea, creatinine, uric acid, total protein, albumin and glucose in serum were carried out in the biochemical analyzer Cobas Mira with the use of test-systems. Findings. We found a positive effect of the supplement on the integrity of cellular membranes of hepatopancreas and kidney that was evident as a reduction in serum ALT activity. A possible increase in ALP activity by 1.9 time indicates on an increase in phosphoric acid metabolism intensity that was related to the processes of phosphorus accumulation in fish eggs. The liposomal supplement has an effect on the reduction of uric acid content in blood by 16 times compared to the control group that indicated on the intensification of protein metabolism. An accumulation of the necessary quantity of amino acids is one of the drivers of the preparation of egg for embryogenesis. Originality. First demonstration of the effect of the liposomal preparation with vitamins A, E and organic forms of microelements of Zn, Se, І, which was fed to brood carp during prespawning period on the physiological and biochemical characteristics of serum. Practical value. The results of the work can be used for the development of prespawning brood

  13. Degradation of air polluted by organic compounds

    International Nuclear Information System (INIS)

    Santoyo O, E.L.; Lizama S, B.E.; Vazquez A, O.; Luna C, P.C.; Arredondo H, S.

    1999-01-01

    According to the Mexican standard NOM-010-STPS-1994 it has been established concentrations of maximum permissible levels in workable air for styrene in the range 420-1710 mg/m 3 and for xylene between 218-870 mg/m 3 . In this work it is studied a biological treatment (bio filtration) for air polluted by xylene and styrene where the microorganisms are adhered at synthetic fiber, these degrade to the organic compounds that across in gaseous state and they are mineralized toward CO 2 and H 2 O. The characteristics of temperature, p H, concentration of organic compound and mineral parameters, as well as, the biomass quantity have been optimized for that bio filters efficiency were greater than those reported in other works. (Author)

  14. Devices for collecting chemical compounds

    Science.gov (United States)

    Scott, Jill R; Groenewold, Gary S

    2013-12-24

    A device for sampling chemical compounds from fixed surfaces and related methods are disclosed. The device may include a vacuum source, a chamber and a sorbent material. The device may utilize vacuum extraction to volatilize the chemical compounds from a fixed surface so that they may be sorbed by the sorbent material. The sorbent material may then be analyzed using conventional thermal desorption/gas chromatography/mass spectrometry (TD/GC/MS) instrumentation to determine presence of the chemical compounds. The methods may include detecting release and presence of one or more chemical compounds and determining the efficacy of decontamination. The device may be useful in collection and analysis of a variety of chemical compounds, such as residual chemical warfare agents, chemical attribution signatures and toxic industrial chemicals.

  15. Processing and Properties of PCL/Cotton Linter Compounds

    OpenAIRE

    Bezerra,Elieber Barros; França,Danyelle Campos; Morais,Dayanne Diniz de Souza; Rosa,Morsyleide de Freitas; Morais,João Paulo Saraiva; Araújo,Edcleide Maria; Wellen,Renate Maria Ramos

    2017-01-01

    Biodegradable compounds of poly(ε-caprolactone) (PCL)/ cotton linter were melting mixed with filling content ranging from 1% to 5% w/w. Cotton linter is an important byproduct of textile industry; in this work it was used in raw state and after acid hydrolysis. According to the results of torque rheometry no decaying of viscosity took place during compounding, evidencing absence of breaking down in molecular weight. The thermal stability increased by 20% as observed in HDT for PCL/cotton...

  16. High-temperature thermopower of some REIn3 compounds

    International Nuclear Information System (INIS)

    Kletowski, Z.; Resel, R.

    1995-01-01

    The temperature dependences of the thermopower of six REIn 3 compounds (RE=La, Pr, Gd, Dy, Er and Lu) were measured in the temperature range up to 1000 K. The observed changes in the slopes of the temperature versus thermopower curves for all the investigated compounds are interpreted as originating from a special shape of the density of states (DOS) near the Fermi energy, E F . ((orig.))

  17. End-preparation assessments and tests for compounded sterile preparations.

    Science.gov (United States)

    McElhiney, Linda F

    2013-01-01

    Outsourcing has become a necessity to obtain sterile products that are currently on backorder. Because of the expense of outsourcing sterile compounding, pharmacy leadership in health systems are now considering the option of insourcing and batch preparing compounded sterile preparations, which can be a viable option for a health system. It can significantly decrease drug-spending costs, and the pharmacy has a complete record of the compounding process. The key to preparing high-quality, safe, sterile preparations and meeting United States Pharmacopeia standards is end-preparation assessments and tests.

  18. Extended linear chain compounds

    CERN Document Server

    Linear chain substances span a large cross section of contemporary chemistry ranging from covalent polymers, to organic charge transfer com­ plexes to nonstoichiometric transition metal coordination complexes. Their commonality, which coalesced intense interest in the theoretical and exper­ imental solid state physics/chemistry communities, was based on the obser­ vation that these inorganic and organic polymeric substrates exhibit striking metal-like electrical and optical properties. Exploitation and extension of these systems has led to the systematic study of both the chemistry and physics of highly and poorly conducting linear chain substances. To gain a salient understanding of these complex materials rich in anomalous aniso­ tropic electrical, optical, magnetic, and mechanical properties, the conver­ gence of diverse skills and talents was required. The constructive blending of traditionally segregated disciplines such as synthetic and physical organic, inorganic, and polymer chemistry, crystallog...

  19. Multi-angle compound imaging

    DEFF Research Database (Denmark)

    Jespersen, Søren Kragh; Wilhjelm, Jens Erik; Sillesen, Henrik

    1998-01-01

    This paper reports on a scanning technique, denoted multi-angle compound imaging (MACI), using spatial compounding. The MACI method also contains elements of frequency compounding, as the transmit frequency is lowered for the highest beam angles in order to reduce grating lobes. Compared to conve......This paper reports on a scanning technique, denoted multi-angle compound imaging (MACI), using spatial compounding. The MACI method also contains elements of frequency compounding, as the transmit frequency is lowered for the highest beam angles in order to reduce grating lobes. Compared...... to conventional B-mode imaging MACI offers better defined tissue boundaries and lower variance of the speckle pattern, resulting in an image with reduced random variations. Design and implementation of a compound imaging system is described, images of rubber tubes and porcine aorta are shown and effects...... on visualization are discussed. The speckle reduction is analyzed numerically and the results are found to be in excellent agreement with existing theory. An investigation of detectability of low-contrast lesions shows significant improvements compared to conventional imaging. Finally, possibilities for improving...

  20. Disorder effects in strongly correlated uranium compounds

    International Nuclear Information System (INIS)

    Suellow, S.; Maple, M.B.; Tomuta, D.; Nieuwenhuys, G.J.; Menovsky, A.A.; Mydosh, J.A.; Chau, R.

    2001-01-01

    Moderate levels of crystallographic disorder can dramatically affect the ground-state properties of heavy fermion compounds. In particular, the role of disorder close to a quantum critical point has been investigated in detail. However, crystallographic disorder is equally effective in altering the properties of magnetically ordered heavy fermion compounds like URh 2 Ge 2 , where disorder-induced spin-glass behavior has been observed. In this system, moreover, the magnetic ground state can be tuned from a spin-glass to a long-range ordered antiferromagnetic one by means of an annealing treatment. The transformation of the magnetic state is accompanied by a transition in the transport properties from 'quasi-insulating' (dρ/dT 2 Ge 2 will be discussed. Of particular interest is the resistivity of as-grown URh 2 Ge 2 , which resembles the Non-Fermi-liquid system UCu 4 Pd, suggesting that a common mechanism - the crystallographic disorder - controls the transport properties of these materials

  1. LEVELS OF SYNTHETIC MUSKS COMPOUNDS IN AQUATIC ...

    Science.gov (United States)

    Synthetic musk compounds are consumer chemicals manufactured as fragrance materials Due to their high worldwide usage and release, they frequently occur in the aquatic and marine environments. The U.S. EPA (ORD, Las Vegas) developed surface-water monitoring methodology and conducted a one-year monthly monitoring of synthetic musks in water and biota from Lake Mead (Nevada) as well as from combined sewage effluent streams feeding Lake Mead. Presented are the overview of the chemistry, the monitoring methodology, and the significance of synthetic musk compounds in the aquatic environment. The research focused on in the subtasks is the development and application of state-of the-art technologies to meet the needs of the public, Office of Water, and ORD in the area of Water Quality. Located In the subtasks are the various research projects being performed in support of this Task and more in-depth coverage of each project. Briefly, each project's objective is stated below.Subtask 1: To integrate state-of-the-art technologies (polar organic chemical integrative samplers, advanced solid-phase extraction methodologies with liquid chromatography/electrospray/mass spectrometry) and apply them to studying the sources and fate of a select list of PPCPs. Application and improvement of analytical methodologies that can detect non-volatile, polar, water-soluble pharmaceuticals in source waters at levels that could be environmentally significant (at concentrations less than p

  2. Structural and electronic properties of thallium compounds

    International Nuclear Information System (INIS)

    Paliwal, Neetu; Srivastava, Vipul

    2016-01-01

    The tight binding linear muffin-tin-orbital (TB-LMTO) method within the local density approximation (LDA has been used to calculate structural and electronic properties of thallium pnictides TlX (X=Sb, Bi) at high pressure. As a function of volume, the total energy is evaluated. Apart from this, the lattice parameter (a_0), bulk modulus (B_0), band structure (BS) and density of states (DOS) are calculated. From energy band diagram we observed metallic behaviour in TlSb and TlBi compounds. The values of equilibrium lattice constants and bulk modulus are agreed well with the available data.

  3. Structural and electronic properties of thallium compounds

    Energy Technology Data Exchange (ETDEWEB)

    Paliwal, Neetu, E-mail: neetumanish@gmail.com [Department of Physics, AISECT University Bhopal, 464993 (India); Srivastava, Vipul [Department of Engineering Physics, NRI Institute of Research & Technology, Raisen Road, Bhopal, 462021 (India)

    2016-05-06

    The tight binding linear muffin-tin-orbital (TB-LMTO) method within the local density approximation (LDA has been used to calculate structural and electronic properties of thallium pnictides TlX (X=Sb, Bi) at high pressure. As a function of volume, the total energy is evaluated. Apart from this, the lattice parameter (a{sub 0}), bulk modulus (B{sub 0}), band structure (BS) and density of states (DOS) are calculated. From energy band diagram we observed metallic behaviour in TlSb and TlBi compounds. The values of equilibrium lattice constants and bulk modulus are agreed well with the available data.

  4. Spin and orbital moments in actinide compounds

    DEFF Research Database (Denmark)

    Lebech, B.; Wulff, M.; Lander, G.H.

    1991-01-01

    The extended spatial distribution of both the transition-metal 3d electrons and the actinide 5f electrons results in a strong interaction between these electron states when the relevant elements are alloyed. A particular interesting feature of this hybridization, which is predicted by single...... experiments designed to determine the magnetic moments at the actinide and transition-metal sublattice sites in compounds such as UFe2, NpCo2, and PuFe2 and to separate the spin and orbital components at the actinide sites. The results show, indeed, that the ratio of the orbital to spin moment is reduced...

  5. Industrial uses of boron compounds

    Energy Technology Data Exchange (ETDEWEB)

    Pastor, H [Eurotungstene; Thevenot, F

    1978-06-01

    A review includes a section on the use in the chemical industry of some transition-metal borides as heterogeneous catalysts in the hydrogenation and dehydrogenation of organic compounds and in fuel cells.

  6. The demise of compound houses

    DEFF Research Database (Denmark)

    Andreasen, Jørgen; Eskemose Andersen, Jørgen

    2006-01-01

    of compound housing and analyses the advantages and disadvantages of life within such housing in Kumasi. Issues of privacy, image and communal life are usually cited by occupants dissatiesfied with life in compound houses, and the difficulty of extending them without spoiling the open spaces...... perceptions of what is acceptable urban life to the growing cohort of young African households. In addition, there is a need to explore innovative forms of tenure in order to secure the majority of Kumasi's population access to land for housing.......The compound house has long provided the accomodation required by low income households in West African cities. In Kumasi, Ghana, evidence suggests that no new compounds are being built. Instead, the city is being ringed by relatively affluent villa-style development while neighbourhoods dominated...

  7. Detection of chlorinated aromatic compounds

    Science.gov (United States)

    Ekechukwu, A.A.

    1996-02-06

    A method for making a composition for measuring the concentration of chlorinated aromatic compounds in aqueous fluids, and an optical probe for use with the method are disclosed. The composition comprises a hydrophobic polymer matrix, preferably polyamide, with a fluorescent indicator uniformly dispersed therein. The indicator fluoresces in the presence of the chlorinated aromatic compounds with an intensity dependent on the concentration of these compounds in the fluid of interest, such as 8-amino-2-naphthalene sulfonate. The probe includes a hollow cylindrical housing that contains the composition in its distal end. The probe admits an aqueous fluid to the probe interior for exposure to the composition. An optical fiber transmits excitation light from a remote source to the composition while the indicator reacts with chlorinated aromatic compounds present in the fluid. The resulting fluorescence light signal is reflected to a second optical fiber that transmits the light to a spectrophotometer for analysis. 5 figs.

  8. Third Symposium on Macrocyclic Compounds

    International Nuclear Information System (INIS)

    1979-01-01

    At the Third Symposium on Macrocyclic Compounds there were sessions on facilitated transport, analytical applications, organic synthesis and reactions, phase transfer catalysis, and metal complexation. Abstracts of the individual presentations are included

  9. Quality control of labelled compounds

    International Nuclear Information System (INIS)

    Matucha, M.

    1979-01-01

    Some advantages and disadvantages of methods used for quality control of organic labelled compounds (1 31 I, 14 C) are shortly discussed. The methods used are electrophoresis, ultraviolet and infrared spectrometry, radiogas and thin-layer chromatography. (author)

  10. Crystallographic properties of fertilizer compounds

    Energy Technology Data Exchange (ETDEWEB)

    Frazier, A.W.; Dillard, E.F.; Thrasher, R.D.; Waerstad, K.R.; Hunter, S.R.; Kohler, J.J.; Scheib, R.M.

    1991-02-01

    This bulletin is a compilation of crystallographic data collected at NFERC on 450 fertilizer-related compounds. In TVA's fertilizer R and D program, petrographic examination, XRD, and infrared spectroscopy are combined with conventional chemical analysis methods in identifying the individual compounds that occur in fertilizer materials. This handbook brings together the results of these characterization studies and supplemental crystallographic data from the literature. It is in one-compound-per-page, loose-leaf format, ordered alphabetically by IUPAC name. Indexes provided include IUPAC name, formula, group, alternate formula, synonyms, x-ray data, optical data. Tables are given for solids, compounds in commercial MAP and DAP, and matrix materials in phosphate rock.

  11. Polishing compound for plastic surfaces

    Science.gov (United States)

    Stowell, M.S.

    1991-01-01

    This invention is comprised of a polishing compound for plastic materials. The compound includes approximately by approximately by weight 25 to 80 parts at least one petroleum distillate lubricant, 1 to 12 parts mineral spirits, 50 to 155 parts abrasive paste, and 15 to 60 parts water. Preferably, the compound includes approximately 37 to 42 parts at least one petroleum distillate lubricant, up to 8 parts mineral spirits, 95 to 110 parts abrasive paste, and 50 to 55 parts water. The proportions of the ingredients are varied in accordance with the particular application. The compound is used on PLEXIGLAS{trademark}, LEXAN{trademark}, LUCITE{trademark}, polyvinyl chloride (PVC), and similar plastic materials whenever a smooth, clear polished surface is desired.

  12. Phenolic Compounds in Brassica Vegetables

    Directory of Open Access Journals (Sweden)

    Pablo Velasco

    2010-12-01

    Full Text Available Phenolic compounds are a large group of phytochemicals widespread in the plant kingdom. Depending on their structure they can be classified into simple phenols, phenolic acids, hydroxycinnamic acid derivatives and flavonoids. Phenolic compounds have received considerable attention for being potentially protective factors against cancer and heart diseases, in part because of their potent antioxidative properties and their ubiquity in a wide range of commonly consumed foods of plant origin. The Brassicaceae family includes a wide range of horticultural crops, some of them with economic significance and extensively used in the diet throughout the world. The phenolic composition of Brassica vegetables has been recently investigated and, nowadays, the profile of different Brassica species is well established. Here, we review the significance of phenolic compounds as a source of beneficial compounds for human health and the influence of environmental conditions and processing mechanisms on the phenolic composition of Brassica vegetables.

  13. Fourth symposium on macrocyclic compounds

    International Nuclear Information System (INIS)

    Christensen, J.J.; Izatt, R.M.

    1980-01-01

    Both theoretical and experimental aspects of the properties and behavior of synthetic and naturally occurring macrocyclic compounds are covered in this symposium. This document contains abstracts of the papers

  14. Radiation curable hydantoin diacrylate compounds

    International Nuclear Information System (INIS)

    Seltzer, R.; DiPrima, J.F.

    1979-01-01

    The diacrylate compounds are liquid at room temperature, easily processable as adhesives, casting and laminating resins and when cured possess excellent resistance to water. These compositions are easily cured exposure to ionizing radiations

  15. Inorganic, coordination and organometallic compounds

    International Nuclear Information System (INIS)

    Jursik, F.

    1978-01-01

    Separation of cations and anions of inorganic, coordination and metalloorganic compounds by the method of liquid column chromatography is considered. Common scheme of multicomponent cation mixture is suggesteed. Separation conditions, adsrbents, eluents, pH value solution concenstration, elution rate are also suggested. Separation of rare earth elements Cs, Be, Cd, Te, Th, U, Mo, Re, V, Ru, Zr, In compounds is considered as an example of liquid column chromatography application. Data on column chromatography application are summarized in a table

  16. Lattice anisotropy in uranium ternary compounds: UTX

    International Nuclear Information System (INIS)

    Mašková, S.; Adamska, A.M.; Havela, L.; Kim-Ngan, N.-T.H.; Przewoźnik, J.; Daniš, S.; Kothapalli, K.; Kolomiets, A.V.; Heathman, S.; Nakotte, H.; Bordallo, H.

    2012-01-01

    Highlights: ► Compressibility and thermal expansion of several U-based compounds were established. ► The direction of the U–U bonds is the “soft” crystallographic direction. ► Highest coefficient of linear thermal expansion is in the direction of the U–U bonds. ► The closer the U atoms are together the better they can be compressed together. - Abstract: Several U-based intermetallic compounds (UCoGe, UNiGe with the TiNiSi structure type and UNiAl with the ZrNiAl structure type) and their hydrides were studied from the point of view of compressibility and thermal expansion. Confronted with existing data for the compounds with the ZrNiAl structure type a common pattern emerges. The direction of the U–U bonds with participation of the 5f states is distinctly the “soft” crystallographic direction, exhibiting also the highest coefficient of linear thermal expansion. The finding leads to an apparent paradox: the closer the U atoms are together in a particular direction the better they can be additionally compressed together by applied hydrostatic pressure.

  17. Evidences for the Formation of Chromium in the Unusual Oxidation State Cr(IV). I. Chemical Reactivity, Microhomogeneity, and Crystal Structures of the Nonstoichiometric Channel Compounds Tl xCr 5Se 8(0 ≤ x≤ 1)

    Science.gov (United States)

    Bensch, W.; Helmer, O.; Näther, C.

    1996-11-01

    are only slightly affected. These results suggest an oxidation of the formally trivalent Cr to the unusual tetravalent state Cr(IV), rather than the formation of valence band holes.

  18. Luminescence properties of copper(I), zinc(II) and cadmium(II) coordination compounds with picoline ligands

    Energy Technology Data Exchange (ETDEWEB)

    Małecki, Jan Grzegorz, E-mail: gmalecki@us.edu.pl; Maroń, Anna

    2017-06-15

    Mononuclear coordination compounds of copper(I) – [Cu(PPh{sub 3}){sub 2}(picoline)(NO{sub 3})], zinc(II) – [ZnCl{sub 2}(picoline){sub 2}] (picoline=3– and 4–methylpyridine) and polymeric cadmium(II) – [CdCl{sub 2}(β-picoline){sub 2}]{sub n} were prepared and their luminescence properties in solid state and acetonitrile solutions were determined. Single crystal X-ray crystallography revealed distorted tetrahedral geometry around the central ions of the compounds. The compounds exhibit green photoluminescence in solid state and in acetonitrile solutions. The emission of copper(I) compounds originated from metal-to-ligand charge transfer state combined with nitrato-to-picoline charge transfer state i.e. ({sup 1}(M+X)LCT). The presence of nitrato ligand in the coordination sphere of copper(I) compounds quenches the emission. Luminescence of zinc(II) and cadmium(II) compounds results from chloride-to-picoline charge transfer state and the quantum efficiency in the case of the polymeric Cd(II) compound reaches 39%. The photoluminescence quantum yields of the mononuclear zinc(II) compounds vary from 10 to 16% depending on the conditions (solid state, solution). - Graphical abstract: Coordination compounds of copper(I), zinc(II) and polymeric cadmium(II) with picoline ligands were prepared and their luminescence properties in solid state and acetonitrile solutions were determined. The compounds exhibit green photoluminescence in solid state and in acetonitrile solutions. Emission of copper(I) compounds originated from {sup 1}(M+X)LCT state. Luminescence of zinc(II) and cadmium(II) compounds results from chloride-to-picoline charge transfer state and the quantum efficiency in the case of the polymeric Cd(II) compound reaches 39%. The photoluminescence quantum yields of the mononuclear zinc(II) compounds vary from 10 to 16% depending on the conditions (solid state, solution).

  19. Compound Odontoma in young girl

    Directory of Open Access Journals (Sweden)

    Nurwahida Nurwahida

    2017-08-01

    Full Text Available Introduction. Odontomas are the most common type of odontogenic tumors and generally they are asymptomatic. These tumors are formed from enamel and dentin, and can have variable amounts of cement and pulp tissues. According to radiographic, microscopic, and clinical features, two types of odontomas are recognized: Complex and compound odontomas. Complex odontomas occur mostly in the posterior part of the mandible and compound odontomas in the anterior maxilla. Case Report. A young girl patient, 9 years old came to Department of Oral and Maxillofacial Surgery with a slow growing and asymptomatic swelling in her left posterior mandible for 5 years in his history taking. The panoramic radiograph show  a radioopacity and radiolucent lesion at the lower second molar region, with well-corticated limits. An insisional biopsi   confirmed  as compound odontoma. The surgery  performed with simple enucleation and curettage under general anaesthesia. Discussion. Compound odontomas are usually located in the anterior maxilla, over the crowns of unerupted teeth, or between the roots of erupted teeth. In this case report, Compound odontomas are found in the posterior mandible. Conclusion. Compound odontomas in the posterior mandible is a rare. The treatment of odontomas depends on the size of the lesion. The early diagnosis, the treatment of choice is conservative surgical enucleation and curettage and prognosis is excellent.

  20. Novel Hydrogen Compounds from a Potassium Carbonate Electrolytic Cell

    International Nuclear Information System (INIS)

    Mills, Randell L.

    2000-01-01

    Novel compounds containing hydrogen in new hydride and polymeric states that demonstrate novel hydrogen chemistry have been isolated following the electrolysis of a K 2 CO 3 electrolyte with the production of excess energy. Inorganic hydride clusters K[KH KHCO 3 ] n + and hydrogen polymer ions such as OH 23 + and H 16 - were identified by time-of-flight secondary ion mass spectroscopy. The presence of compounds containing new states of hydrogen was confirmed by X-ray photoelectron spectroscopy, X-ray diffraction, Fourier transform infrared spectroscopy, Raman spectroscopy, and proton nuclear magnetic resonance spectroscopy

  1. Calculations of hyperfine parameters in antimony compounds

    International Nuclear Information System (INIS)

    Svane, A.

    2003-01-01

    The electron contact density and electric-field gradient on the Sb nuclear position is calculated in a series of 22 Sb compounds, comprising metallic, covalent as well as ionic Sb(III) and Sb(V) systems. The full-potential linear-muffin-tin-orbitals method is used with the local-density-approximation for exchange and correlation effects. By comparison with experimental 121 Sb and 123 Sb nuclear quadrupole resonance data and 121 Sb Moessbauer data, the calibration constants relating measured quadrupole coupling constants and isomer shifts to the electric-field gradient and the electron contact density, respectively, are derived. This leads to an accurate determination of the quadrupole moment of the 121 Sb nuclear ground state as Q=-66.9 fm 2 . The difference between the mean-square radius of the 121 Sb nucleus in its excited isomeric and ground states is found to be Δ 2 >=-0.0521 fm 2

  2. Potential Antifreeze Compounds in Present-Day Martian Seepage Groundwater

    Directory of Open Access Journals (Sweden)

    Jiin-Shuh Jean

    2008-01-01

    Full Text Available Is the recently found seepage groundwater on Mars pure H2O, or mixed with salts and other antifreeze compounds? Given the surface conditions of Mars, it is unlikely that pure water could either exist in its liquid state or have shaped Mars¡¦ fluid erosional landforms (gullies, channels, and valley networks. More likely is that Mars¡¦ seepage groundwater contains antifreeze and salt compounds that resist freezing and suppress evaporation. This model better accounts for Mars¡¦ enigmatic surface erosion. This paper suggests 17 antifreeze compounds potentially present in Martian seepage groundwater. Given their liquid state and physical properties, triethylene glycol, diethylene glycol, ethylene glycol, and 1,3-propylene glycol are advanced as the most likely candidate compounds. This paper also explores how a mixing of glycol or glycerol with salts in the Martian seepage groundwater may have lowered water¡¦s freezing point and raised its boiling point, with consequences that created fluid gully and channel erosion. Ethylene glycol and related hydrocarbon compounds have been identified in Martian and other interstellar meteorites. We suggest that these compounds and their proportions to water be included for detection in future explorations.

  3. Diazo compounds in the chemistry of fullerenes

    International Nuclear Information System (INIS)

    Tuktarov, Airat R; Dzhemilev, Usein M

    2010-01-01

    Experimental and theoretical data on the reactions of different diazo compounds (diazomethane, its derivatives, cyclic diazo compounds and diazocarbonyl compounds) with fullerenes are summarized. The structures and stereochemistry of cycloadducts formed in these reactions are considered.

  4. Diazo compounds in the chemistry of fullerenes

    Science.gov (United States)

    Tuktarov, Airat R.; Dzhemilev, Usein M.

    2010-09-01

    Experimental and theoretical data on the reactions of different diazo compounds (diazomethane, its derivatives, cyclic diazo compounds and diazocarbonyl compounds) with fullerenes are summarized. The structures and stereochemistry of cycloadducts formed in these reactions are considered.

  5. Diazo compounds in the chemistry of fullerenes

    Energy Technology Data Exchange (ETDEWEB)

    Tuktarov, Airat R; Dzhemilev, Usein M [Institute of Petrochemistry and Catalysis, Russian Academy of Sciences, Ufa (Russian Federation)

    2010-09-14

    Experimental and theoretical data on the reactions of different diazo compounds (diazomethane, its derivatives, cyclic diazo compounds and diazocarbonyl compounds) with fullerenes are summarized. The structures and stereochemistry of cycloadducts formed in these reactions are considered.

  6. Method for purifying bidentate organophosphorus compounds

    International Nuclear Information System (INIS)

    Schulz, W.W.

    1977-01-01

    Bidentate organophosphorus compounds useful for extracting actinide elements from acidic nuclear waste solutions are purified of undesirable acidic impurities by contacting the compounds with ethylene glycol which preferentially extracts the impurities found in technical grade bidentate compounds

  7. Thermochemical investigation into coordination ability of zinc and cadmium alkyl compounds in solutions

    International Nuclear Information System (INIS)

    Aleksandrov, Yu.A.; Fedostseva, G.A.; Tsvetkov, V.G.; Lebedev, S.A.; Kozyrkin, B.I.

    1983-01-01

    Enthalpies of zinc alkyl compounds mixing, as well as those of dimethyl cadmium mixing with hexane, previously used as a solvent during the study of liquid-phase autooxidation of Me 2 Cd and Me 2 Zn, and with a series of organic bases at 298 K and at components ratio 1:1 or 1:2, are determined. Using calorimetric method dimethyl cadmium association in liquid state has been evaluated. Coordination ability of zinc alkyl compounds is higher than for the corresponding cadmium compounds. With the increase of alkyl radical length the electron seeking ability of zinc compounds decreases. On the basis of thermochemical data relative stability of coordination compounds of zinc and cadmium alkyl compounds with certain alkyl compounds of group 6 elements is evaluated: it has the maximum value for sulfur compounds

  8. Extraterrestrial Organic Compounds in Meteorites

    Science.gov (United States)

    Botta, Oliver; Bada, Jeffrey L.; Meyer, Michael (Technical Monitor)

    2003-01-01

    Many organic compounds or their precursors found in meteorites originated in the interstellar or circumstellar medium and were later incorporated into planetesimals during the formation of the solar system. There they either survived intact or underwent further processing to synthesize secondary products on the meteorite parent body. The most distinct feature of CI and CM carbonaceous chondrites, two types of stony meteorites, is their high carbon content (up to 3% of weight), either in the form of carbonates or of organic compounds. The bulk of the organic carbon consists of an insoluble macromolecular material with a complex structure. Also present is a soluble organic fraction, which has been analyzed by several separation and analytical procedures. Low detection limits can be achieved by derivatization of the organic molecules with reagents that allow for analysis by gas chromatography/mass spectroscopy and high performance liquid chromatography. The CM meteorite Murchison has been found to contain more than 70 extraterrestrial amino acids and several other classes of compounds including carboxylic acids, hydroxy carboxylic acids, sulphonic and phosphonic acids, aliphatic, aromatic and polar hydrocarbons, fullerenes, heterocycles as well as carbonyl compounds, alcohols, amines and amides. The organic matter was found to be enriched in deuterium, and distinct organic compounds show isotopic enrichments of carbon and nitrogen relative to terrestrial matter.

  9. Evaluation of radiolabeled ruthenium compounds as tumor-localizing agents

    International Nuclear Information System (INIS)

    Srivastava, S.C.; Richards, P.; Meinken, G.E.; Som, P.; Atkins, H.L.; Larson, S.M.; Grunbaum, Z.; Rasey, J.S.; Clarke, M.H.; Dowling, M.

    1979-01-01

    This work introduces a new class of radiopharmaceuticals based on ruthenium-97. The excellent physical properties of Ru-97, the high chemical reactivity of Ru, the potential antitumor activity of several Ru coordination compounds, and BLIP production of Ru-97, provide a unique combination for the application of this isotope in nuclear oncology. A systematic study was undertaken on the synthesis, characterization, and evaluation of a number of ruthenium-labeled compounds. In a variety of animal tumor models, several compounds show considerable promise as tumor-localizing agents when compared to gallium-67 citrate. The compounds studied (with Ru in different oxidation states) include ionic Ru, a number of hydrophilic and lipophilic chelates, and various ammine derivatives

  10. Compound Half-Backed Weave Design For Digital Jacquard Fabric

    Science.gov (United States)

    Zhang, Meng; Zhou, Jiu

    2017-12-01

    Based on layered-combination design mode and compound structure, this paper presents a design method, named compound half-backed weave in order to achieve innovating weave structure and surface effect of fabric. This design method includes primary weaves chosen, half-backed technical points set up and half-backed weave databases established. The fabric produced using compound half-backed weave designed by this method can exhibit a unique half-backed effect that only half of the threads on the fabric surface remain in a state of being covered by adjacent wefts. Compound half-backed weave can not only meets the design need of jacquard fabric with different digital images and effectively improves the efficiency of structural design, but also puts forward new theory and method for innovative design of digital jacquard fabric.

  11. An experimental study of praseodymium intermetallic compounds at low temperatures

    International Nuclear Information System (INIS)

    Greidanus, F.J.A.M.

    1982-01-01

    In this thesis the author studies the low temperature properties of praseodymium intermetallic compounds. In chapter 2 some of the techniques used for the experiments described in the subsequent chapters are discussed. A set-up to perform specific-heat experiments below 1 K and a technique for performing magnetic susceptibility measurments below 1 K, using a superconducting quantum interference device (SQUID) are described. Chapter 3 is devoted to the theory of interacting Pr 3+ ions. Both bilinear and biquadratic interactions are dealt with in a molecular-field approximation. It is shown that first as well as second-order phase transitions can occur, depending on the nature of the ground state, and on the ratio of magnetic to crystal-field interactions. In chapters 4, 5, 6 and 7 experimental results on the cubic Laves phase compounds PrRh 2 , PrIr 2 , PrPt 2 , PrRu 2 and PrNi 2 are presented. From inelastic neutron scattering experiments the crystalline electric field parameters of the above compounds are determined. In chapters 5 and 6 susceptibility, neutron-diffraction, hyperfine specific-heat, low-field magnetization, pulsed-field magnetization, specific-heat and resistivity measurements are presented. In chapter 7 the specific heat and differential susceptibility of PrNi 2 below 1 K are studied. Finally, in chapter 8 praseodymium intermetallic compounds with low-symmetry singlet ground states, and cubic compounds with magnetic doublet ground states are studied. (Auth.)

  12. Catalytic applications of niobium compounds

    International Nuclear Information System (INIS)

    Wright, C.J.; England, W.A.

    1984-01-01

    This article examines the potential uses of niobium, and its compounds, as catalysts in chemical processing. The word potential is deliberately chosen because in 1978 none of the world's twenty-five major catalysts (1) contained niobium. On the other hand, catalysts containing molybdenum and vanadium, neighbors of niobium in the periodic table, realized over 80 x 10 6 of sales in that same year. At the same time many of the patents for niobium catalysts cover applications in which niobium improves the activity of, or substitutes for, molybdenum based compounds. With favorable cost differentials and improvements in understanding, niobium may be able to replace molybdenum in some its traditional uses

  13. Cytotoxic Compounds from Aloe megalacantha

    Directory of Open Access Journals (Sweden)

    Negera Abdissa

    2017-07-01

    Full Text Available Phytochemical investigation of the ethyl acetate extract of the roots of Aloe megalacantha led to the isolation of four new natural products—1,8-dimethoxynepodinol (1, aloesaponarin III (2, 10-O-methylchrysalodin (3 and methyl-26-O-feruloyl-oxyhexacosanate (4—along with ten known compounds. All purified metabolites were characterized by NMR, mass spectrometric analyses and comparison with literature data. The isolates were evaluated for their cytotoxic activity against a human cervix carcinoma cell line KB-3-1 and some of them exhibited good activity, with aloesaponarin II (IC50 = 0.98 µM being the most active compound.

  14. Antiprotozoal compounds from Asparagus africanus

    DEFF Research Database (Denmark)

    Oketch-Rabah, H A; Dossaji, S F; Christensen, S B

    1997-01-01

    Two antiprotozoal compounds have been isolated from the roots of Asparagus africanus Lam. (Liliaceae), a new sapogenin, 2 beta, 12 alpha-dihydroxy-(25R)-spirosta-4,7-dien-3-one (1), which was named muzanzagenin, and the lignan (+)-nyasol (2), (Z)-(+)-4,4'-(3-ethenyl-1-propene-1,3-diyl)-bisphenol.......Two antiprotozoal compounds have been isolated from the roots of Asparagus africanus Lam. (Liliaceae), a new sapogenin, 2 beta, 12 alpha-dihydroxy-(25R)-spirosta-4,7-dien-3-one (1), which was named muzanzagenin, and the lignan (+)-nyasol (2), (Z)-(+)-4,4'-(3-ethenyl-1-propene-1,3-diyl...

  15. Synthesis and solid state structures of Chalcogenide compounds of ...

    Indian Academy of Sciences (India)

    -ylidene-1,1-Diphenyl-phosphinamine. KISHOR NAKTODEa, SUMAN DASa, ABHINANDA KUNDUa, HARI PADA NAYEKb and TARUN K PANDAa,∗. aDepartment of Chemistry, Indian Institute of Technology Hyderabad, Kandi 502 285, ...

  16. Compound

    Indian Academy of Sciences (India)

    Selen Bilgea,*, Zeynel Kılıça, Zeliha Hayvalıa, Tuncer Hökelekb and Serap Safranb. aDepartment of Chemistry, Faculty of Science, Ankara University, Tandoğan, Ankara 06100, Turkey. bDepartment of Physics, Hacettepe University, Beytepe, Ankara 06800, Turkey. e-mail: sbilge@science.ankara.edu.tr. Contents: Tables.

  17. Bacterial degradation of fluorinated compounds

    NARCIS (Netherlands)

    Ferreira, Maria Isabel Martins

    2007-01-01

    Fluorine was produced for the first time by Henri Moissan in 1886, for which he received the Nobel Prize in chemistry in 1906. The unique properties of fluorine have led to the development of fluorine chemistry and numerous synthetic fluorinated compounds have been prepared and tested for different

  18. Moessbauer spectroscopy in neptunium compounds

    Energy Technology Data Exchange (ETDEWEB)

    Nakamoto, Tadahiro; Nakada, Masami; Masaki, Nobuyuki; Saeki, Masakatsu [Japan Atomic Energy Research Inst., Tokyo (Japan)

    1997-03-01

    Moessbauer effects are observable in seven elements of actinides from {sup 232}Th to {sup 247}Cm and Moesbauer spectra have been investigated mainly with {sup 237}Np and {sup 238}U for the reasons of availability and cost of materials. This report describes the fundamental characteristics of Moessbauer spectra of {sup 237}Np and the correlation between the isomer shift and the coordination number of Np(V) compounds. The isomer shifts of Np(V) compounds had a tendency to increase as an increase of coordination number and the isomer shifts of Np(V) compounds showed broad distribution as well as those of Np(VI) but {delta} values of the compounds with the same coordination number were distributed in a narrow range. The {delta} values of Np(VI) complexes with O{sub x} donor set suggest that the Np atom in its hydroxide (NpO{sub 2}(OH){center_dot}4H{sub 2}O)might have pentagonal bipyramidal structure and at least, pentagonal and hexagonal bipyramidal structures might coexist in its acetate and benzoate. Really, such coexistence has been demonstrated in its nitrate, (NpO{sub 2}){sub 2}(NO{sub 3}){sub 2}{center_dot}5H{sub 2}O. (M.N.)

  19. Antifouling Compounds from Marine Macroalgae.

    Science.gov (United States)

    Dahms, Hans Uwe; Dobretsov, Sergey

    2017-08-28

    Marine macroalgae produce a wide variety of biologically-active metabolites that have been developed into commercial products, such as antibiotics, immunosuppressive, anti-inflammatory, cytotoxic agents, and cosmetic products. Many marine algae remain clean over longer periods of time, suggesting their strong antifouling potential. Isolation of biogenic compounds and the determination of their structure could provide leads for the development of environmentally-friendly antifouling paints. Isolated substances with potent antifouling activity belong to fatty acids, lipopeptides, amides, alkaloids, lactones, steroids, terpenoids, and pyrroles. It is unclear as yet to what extent symbiotic microorganisms are involved in the synthesis of these compounds. Algal secondary metabolites have the potential to be produced commercially using genetic and metabolic engineering techniques. This review provides an overview of publications from 2010 to February 2017 about antifouling activity of green, brown, and red algae. Some researchers were focusing on antifouling compounds of brown macroalgae, while metabolites of green algae received less attention. Several studies tested antifouling activity against bacteria, microalgae and invertebrates, but in only a few studies was the quorum sensing inhibitory activity of marine macroalgae tested. Rarely, antifouling compounds from macroalgae were isolated and tested in an ecologically-relevant way.

  20. Students' Categorizations of Organic Compounds

    Science.gov (United States)

    Domin, Daniel S.; Al-Masum, Mohammad; Mensah, John

    2008-01-01

    Categorization is a fundamental psychological ability necessary for problem solving and many other higher-level cognitive tasks. In organic chemistry, students must establish groupings of different chemical compounds in order not only to solve problems, but also to understand course content. Classic models of categorization emphasize similarity as…

  1. First flush of dissolved compounds

    DEFF Research Database (Denmark)

    Krebs, P.; Holzer, P.; Huisman, J.L.

    1999-01-01

    . It is known that since the wave celerity is higher than the flow velocity of the water, the increase of flow rate induced through rain runoff is recognised earlier at a certain downstream section of the combined sewer than the concentration increase of typical rain-water compounds originating from surface...

  2. Use of labeled compounds in tracer experiments

    International Nuclear Information System (INIS)

    Anon.

    1991-01-01

    The use of radiotracers in research has become common. This chapter looks at some of the underlying assumptions and advantages of labeled compounds: advantages of radiotracers; availability of suitable tracers and labeled compounds; purity of labeled compounds; autoradiolysis; storage of labeled compounds; detection systems for chromatography and electrophoretic methods. 14 refs., 2 figs

  3. Peroxide organometallic compounds and their transformations

    International Nuclear Information System (INIS)

    Razuvaev, G.A.; Brilkina, T.G.

    1976-01-01

    A survey is given experimental works on synthesis and reactions of peroxide organometallic compounds. Reactions have been considered of organometallic compounds with oxygen and organic peroxides which result in formation of both peroxide and non-peroxide products. Possible routes and mechanisms of chemical transformations of peroxide organometallic compounds have been discussed. Reactions of organometallic compounds with oxygen and peroxides have been considered

  4. 78 FR 48156 - Update to An Inventory of Sources and Environmental Releases of Dioxin-Like Compounds in the...

    Science.gov (United States)

    2013-08-07

    ... Inventory of Sources and Environmental Releases of Dioxin-Like Compounds in the United States for the Years... document entitled, Update to An Inventory of Sources and Environmental Releases of Dioxin-Like Compounds in... the report: An Inventory of Sources and Environmental Releases of Dioxin-Like Compounds in the United...

  5. Statistical theory of multi-step compound and direct reactions

    International Nuclear Information System (INIS)

    Feshbach, H.; Kerman, A.; Koonin, S.

    1980-01-01

    The theory of nuclear reactions is extended so as to include a statistical treatment of multi-step processes. Two types are distinguished, the multi-step compound and the multi-step direct. The wave functions for the system are grouped according to their complexity. The multi-step direct process involves explicitly those states which are open, while the multi-step compound involves those which are bound. In addition to the random phase assumption which is applied differently to the multi-step direct and to the multi-step compound cross-sections, it is assumed that the residual interaction will have non-vanishing matrix elements between states whose complexities differ by at most one unit. This is referred to as the chaining hypothesis. Explicit expressions for the double differential cross-section giving the angular distribution and energy spectrum are obtained for both reaction types. The statistical multi-step compound cross-sections are symmetric about 90 0 . The classical statistical theory of nuclear reactions is a special limiting case. The cross-section for the statistical multi-step direct reaction consists of a set of convolutions of single-step direct cross-sections. For the many step case it is possible to derive a diffusion equation in momentum space. Application is made to the reaction 181 Ta(p,n) 181 W using the statistical multi-step compound formalism

  6. Response of Bioluminescent Bacteria to Alkyltin Compounds.

    Science.gov (United States)

    1987-12-01

    found in the butyltiri series of compounds; tributyltin was (’Stimes more toxic than dibutyltin and (- 50 times more toxic than (mono)butyltin. When...correlations between compounds, tributyltin was -35 tine more Kicrotxit and fish bLoessays for pure toxic than dibutyltin end -750 times More compounds and...the compounds as a decrease in toxicity (5) tributyltin compounds ea -150 tines more and a method to study synergistic andtoxic than trinethyltia

  7. Bioprospecting Sponge-Associated Microbes for Antimicrobial Compounds.

    Science.gov (United States)

    Indraningrat, Anak Agung Gede; Smidt, Hauke; Sipkema, Detmer

    2016-05-02

    Sponges are the most prolific marine organisms with respect to their arsenal of bioactive compounds including antimicrobials. However, the majority of these substances are probably not produced by the sponge itself, but rather by bacteria or fungi that are associated with their host. This review for the first time provides a comprehensive overview of antimicrobial compounds that are known to be produced by sponge-associated microbes. We discuss the current state-of-the-art by grouping the bioactive compounds produced by sponge-associated microorganisms in four categories: antiviral, antibacterial, antifungal and antiprotozoal compounds. Based on in vitro activity tests, identified targets of potent antimicrobial substances derived from sponge-associated microbes include: human immunodeficiency virus 1 (HIV-1) (2-undecyl-4-quinolone, sorbicillactone A and chartarutine B); influenza A (H1N1) virus (truncateol M); nosocomial Gram positive bacteria (thiopeptide YM-266183, YM-266184, mayamycin and kocurin); Escherichia coli (sydonic acid), Chlamydia trachomatis (naphthacene glycoside SF2446A2); Plasmodium spp. (manzamine A and quinolone 1); Leishmania donovani (manzamine A and valinomycin); Trypanosoma brucei (valinomycin and staurosporine); Candida albicans and dermatophytic fungi (saadamycin, 5,7-dimethoxy-4-p-methoxylphenylcoumarin and YM-202204). Thirty-five bacterial and 12 fungal genera associated with sponges that produce antimicrobials were identified, with Streptomyces, Pseudovibrio, Bacillus, Aspergillus and Penicillium as the prominent producers of antimicrobial compounds. Furthemore culture-independent approaches to more comprehensively exploit the genetic richness of antimicrobial compound-producing pathways from sponge-associated bacteria are addressed.

  8. Processing and properties of PCL/cotton linter compounds

    Energy Technology Data Exchange (ETDEWEB)

    Bezerra, Elieber Barros; Franca, Danyelle Campos; Morais, Dayanne Diniz de Souza; Araujo, Edcleide Maria [Universidade Federal de Campina Grande (UFCG), PB (Brazil). Departamento de Engenharia de Materiais; Rosa, Morsyleide de Freitas; Morais, Joao Paulo Saraiva [Embrapa Tropical Agroindustia, Fortaleza, CE (Brazil); Wellen, Renate Maria Ramos, E-mail: wellen.renate@gmail.com [Universidade Federal da Paraiaba (UFPB), Joao Pessoa, PB (Brazil)

    2017-03-15

    Biodegradable compounds of poly(ε-caprolactone) (PCL)/ cotton linter were melting mixed with filling content ranging from 1% to 5% w/w. Cotton linter is an important byproduct of textile industry; in this work it was used in raw state and after acid hydrolysis. According to the results of torque rheometry no decaying of viscosity took place during compounding, evidencing absence of breaking down in molecular weight. The thermal stability increased by 20% as observed in HDT for PCL/cotton nanolinter compounds. Adding cotton linter to PCL did not change its crystalline character as showed by XRD; however an increase in degree of crystallinity was observed by means of DSC. From mechanical tests in tension was observed an increase in ductility of PCL, and from mechanical tests in flexion an increase in elastic modulus upon addition of cotton linter, whereas impact strength presented lower values for PCL/cotton linter and PCL/cotton nanolinter compounds. SEM images showed that PCL presents plastic fracture and cotton linter has an interlacing fibril structure with high L/D ratio, which are in agreement with matrix/fibril morphology observed for PCL/cotton linter compounds. PCL/cotton linter compounds made in this work cost less than neat PCL matrix and presented improved properties making feasible its commercial use. (author)

  9. Effect of volatile compounds on excimer laser power delivery.

    Science.gov (United States)

    Van Horn, Stewart D; Hovanesian, John A; Maloney, Robert K

    2002-01-01

    To determine whether vapors from perfume, hairspray, oil-based paint, or water-based paint affect excimer laser beam power delivery at the corneal surface. We measured the power delivery of an Apex Plus laser before, during, and after exposure to vapors from the following volatile compounds: three types of perfume, hair spray, an oil-based paint, and a water-based paint. A digital calorimeter was used to measure the steady-state beam power of the laser during laser discharge at the corneal plane. Multiple trials were run with each compound, and the change in laser energy over time was examined to determine if any of the compounds caused degradation of the laser optics. The presence of a volatile compound in the room caused no change in mean laser energy in comparison to before and after the compound was present. However, perfumes caused a progressive decline in laser beam power throughout the trials. Controlling for this progressive decline, there was no significant difference from perfume to perfume. None of the compounds tested caused a decline in laser beam power while present in the room. However, the presence of any perfume caused a deterioration in beam power over time, suggesting a degradation of the laser optics for all perfumes. Laser centers should consider advising their patients and staff to not wear perfumes in the laser suite.

  10. Time-resolved X-ray absorption spectroscopy for the study of solid state reactions: synthesis of nanocrystalline barium titanate and thermal decomposition of ammonium hexachlorometallate compounds; Zeitaufgeloeste Roentgenabsorptionspektroskopie zur Untersuchung von Festkoerperreaktionen: Synthese von nanokristallinem Bariumtitanat und thermische Zersetzung von Ammoniumhexachlorometallat-Verbindungen

    Energy Technology Data Exchange (ETDEWEB)

    Rumpf, H.

    2001-07-01

    This report presents investigations on the mechanism of two different types of solid-state reactions: At first, barium titanate nanopowders were prepared through a combined polymerization and pyrolysis of a metallo-organic precursor. The mean particle size d{sub m} could be adjusted by choosing appropriate reaction temperatures and tempering atmospheres. In the present in situ study of this particular solid-phase reaction, X-ray absorption near edge structure (XANES) spectroscopy at the Ti K and Ba L{sub 3}-edges was applied in the preparation route of BaTiO{sub 3} nanopowders. A pronounced distortion of the lattice symmetry was found to occur in very fine BaTiO{sub 3} nanopowders (d{sub m} < 20 nm). Secondly, in situ XANES investigations were carried out at the Cl K, Pd L{sub 3}, Rh L{sub 3}, and Pt L{sub 3}-edges to study the mechanism of the thermal decomposition of ammonium hexachlorometallates. The results exceed structural information obtained by in situ X-ray diffraction methods and thermal analysis. Feff8 multiple scattering simulations have been carried out to disclose new intermediate phases of unknown reference compounds. (orig.)

  11. Recent changes in anthropogenic reactive nitrogen compounds

    Science.gov (United States)

    Andronache, Constantin

    2014-05-01

    Significant anthropogenic perturbations of the nitrogen cycle are the result of rapid population growth, with mounting need for food and energy production. The increase of reactive nitrogen compounds (such as NOx, HNO3, NH3, and N2O) has a significant impact on human health, environment, and climate. NOx emissions contribute to O3 chemistry, aerosol formation and acidic precipitation. Ammonia is a notable atmospheric pollutant that may deteriorate ecosystems and contribute to respiratory problems. It reacts with acidic gases to form aerosols or is deposited back to ecosystems. The application of fertilizers accounts for most of the N2O production, adding to greenhouse gas emissions. We analyze the change of some reactive nitrogen compounds based on observations, in eastern United States. Results show that the control of NOx and SO2 emissions over the last decades caused a significant decrease of acidic deposition. The nitrate deposition is highest in eastern US, while the ammonium ion concentration is highest in central US regions. Overall, the inorganic nitrogen wet deposition from nitrate and ammonium is enhanced in central, and eastern US. Research shows that sensitive ecosystems in northeastern regions exhibit a slow recovery from the accumulated effects of acidic deposition. Given the growing demand for nitrogen in agriculture and industry, we discuss possible pathways to reduce the impact of excess reactive nitrogen on the environment.

  12. Synergy Maps: exploring compound combinations using network-based visualization.

    Science.gov (United States)

    Lewis, Richard; Guha, Rajarshi; Korcsmaros, Tamás; Bender, Andreas

    2015-01-01

    The phenomenon of super-additivity of biological response to compounds applied jointly, termed synergy, has the potential to provide many therapeutic benefits. Therefore, high throughput screening of compound combinations has recently received a great deal of attention. Large compound libraries and the feasibility of all-pairs screening can easily generate large, information-rich datasets. Previously, these datasets have been visualized using either a heat-map or a network approach-however these visualizations only partially represent the information encoded in the dataset. A new visualization technique for pairwise combination screening data, termed "Synergy Maps", is presented. In a Synergy Map, information about the synergistic interactions of compounds is integrated with information about their properties (chemical structure, physicochemical properties, bioactivity profiles) to produce a single visualization. As a result the relationships between compound and combination properties may be investigated simultaneously, and thus may afford insight into the synergy observed in the screen. An interactive web app implementation, available at http://richlewis42.github.io/synergy-maps, has been developed for public use, which may find use in navigating and filtering larger scale combination datasets. This tool is applied to a recent all-pairs dataset of anti-malarials, tested against Plasmodium falciparum, and a preliminary analysis is given as an example, illustrating the disproportionate synergism of histone deacetylase inhibitors previously described in literature, as well as suggesting new hypotheses for future investigation. Synergy Maps improve the state of the art in compound combination visualization, by simultaneously representing individual compound properties and their interactions. The web-based tool allows straightforward exploration of combination data, and easier identification of correlations between compound properties and interactions.

  13. Certification, Accreditation, and Credentialing for 503A Compounding Pharmacies.

    Science.gov (United States)

    Pritchett, Jon; McCrory, Gary; Kraemer, Cheri; Jensen, Brenda; Allen, Loyd V

    2018-01-01

    The terms certification, accreditation, and credentialing are often used interchangeably when they apply to compounding-pharmacy qualifications, but they are not synonymous. The reasons for obtaining each, the requirements for each, and the benefits of each differ. Achieving such distinctions can negatively or positively affect the status of a pharmacy among peers and prescribers as well as a pharmacy's relationships with third-party payors. Changes in the third-party payor industry evolve constantly and, we suggest, will continue to do so. Compounding pharmacists must be aware of those changes to help ensure success in a highly competitive marketplace. To our knowledge at the time of this writing, there is no certification program for compounding pharmacists, although pharmacy technicians can achieve certification and may be required to do so by the state in which they practice (a topic beyond the scope of this article). For that reason, we primarily address accreditation and credentialing for 503A compounding pharmacies. In this article, the evolution of the third-party payment system for compounds is reviewed; the definitions of certification, accreditation, and credentialing are examined; and the benefits and recognition of obtaining accredited or credentialed status are discussed. Suggestions for selecting an appropriate agency that offers accreditation or credentialing, preparing for and undergoing an onsite survey, responding to findings, and maintaining a pharmacy practice that enables a successful survey outcome are presented. The personal experience of author CK during accreditation and credentialing is discussed, as is the role of a consultant (author BJ) in helping compounders prepare for the survey process. A list of agencies that offer accreditation and credentialing for compounding pharmacies is included for easy reference. Copyright© by International Journal of Pharmaceutical Compounding, Inc.

  14. The effect of background absorption on the compound cross-section in resonance scattering

    International Nuclear Information System (INIS)

    Frenkel, A.

    1976-01-01

    The effect of channel-channel correlations in the compound cross-section is studied in a model of a resonance above a compound background characterized by equal absorption in all open channels. A general rule which cannot be derived from unitarity alone is proved for the fluctuating cross-section. It provides new understanding of level-level correlations in scattering through compound nucleus states. (author)

  15. Structure and bonding in gold compounds

    International Nuclear Information System (INIS)

    Parish, R.V.

    1988-01-01

    Recent developments in chemical applications of 197 Au Moessbauer spectroscopy are reviewed. For gold(I) and gold(III), systematic variations in isomer shift and quadrupole splitting are seen as the ligands are changed; the effects of change in coordination number of the gold atoms are also systematic. Data for gold(II) systems involving gold-gold bonds lie between those for corresponding gold(I) and gold(III) materials, showing a small increase in isomer shift and a larger increase in quadrupole splitting as the oxidation state decreases; these trends are explained in terms of the structures. Data for mixed-metal cluster compounds are much more sensitive to structural effects than in homonuclear clusters. Both sets of data show systematic changes with increase in the number of metal atoms to which the gold atom is bound. The connectivity also influences the recoil-free fraction. (orig.)

  16. Bacterial Degradation of Aromatic Compounds

    Directory of Open Access Journals (Sweden)

    Qing X. Li

    2009-01-01

    Full Text Available Aromatic compounds are among the most prevalent and persistent pollutants in the environment. Petroleum-contaminated soil and sediment commonly contain a mixture of polycyclic aromatic hydrocarbons (PAHs and heterocyclic aromatics. Aromatics derived from industrial activities often have functional groups such as alkyls, halogens and nitro groups. Biodegradation is a major mechanism of removal of organic pollutants from a contaminated site. This review focuses on bacterial degradation pathways of selected aromatic compounds. Catabolic pathways of naphthalene, fluorene, phenanthrene, fluoranthene, pyrene, and benzo[a]pyrene are described in detail. Bacterial catabolism of the heterocycles dibenzofuran, carbazole, dibenzothiophene, and dibenzodioxin is discussed. Bacterial catabolism of alkylated PAHs is summarized, followed by a brief discussion of proteomics and metabolomics as powerful tools for elucidation of biodegradation mechanisms.

  17. Alkylation of organic aromatic compounds

    Science.gov (United States)

    Smith, Jr., Lawrence A.

    1989-01-01

    Aromatic compounds are alkylated in a catalytic distillation, wherein the catalyst structure also serves as a distillation component by contacting the aromatic compound with a C.sub.2 to C.sub.10 olefin in the catalyst bed under 0.25 to 50 atmospheres of pressure and at temperatures in the range of 80.degree. C. to 500.degree. C., using as the catalyst a mole sieve characterized as acidic or an acidic cation exchange resin. For example, ethyl benzene is produced by feeding ethylene below the catalyst bed while benzene is conveniently added through the reflux in molar excess to that required to react with ethylene, thereby reacting substantially all of the ethylene and recovering benzene as the principal overhead and ethyl benzene in the bottoms.

  18. Alkylation of organic aromatic compounds

    Science.gov (United States)

    Smith, L.A. Jr.

    1989-07-18

    Aromatic compounds are alkylated in a catalytic distillation, wherein the catalyst structure also serves as a distillation component by contacting the aromatic compound with a C[sub 2] to C[sub 10] olefin in the catalyst bed under 0.25 to 50 atmospheres of pressure and at temperatures in the range of 80 C to 500 C, using as the catalyst a mole sieve characterized as acidic or an acidic cation exchange resin. For example, ethyl benzene is produced by feeding ethylene below the catalyst bed while benzene is conveniently added through the reflux in molar excess to that required to react with ethylene, thereby reacting substantially all of the ethylene and recovering benzene as the principal overhead and ethyl benzene in the bottoms. 1 fig.

  19. The Electrochemistry of Organophosphorus Compounds.

    Science.gov (United States)

    1988-01-20

    of hydrogen on the electrode surface. Mechanistkc views are further developed with the addition of water resulting in the formation of...the exclusive vlide product. Furthermore, carbonvl compounds were added to the electrolyses to react with the electrochemically-generated ylides via...the Wittig reaction. The resulting olefins were found to catalytically isomerize from the Z isomer to the E isomer upon reduction. The role of water

  20. Compound semiconductor optical waveguide switch

    Science.gov (United States)

    Spahn, Olga B.; Sullivan, Charles T.; Garcia, Ernest J.

    2003-06-10

    An optical waveguide switch is disclosed which is formed from III-V compound semiconductors and which has a moveable optical waveguide with a cantilevered portion that can be bent laterally by an integral electrostatic actuator to route an optical signal (i.e. light) between the moveable optical waveguide and one of a plurality of fixed optical waveguides. A plurality of optical waveguide switches can be formed on a common substrate and interconnected to form an optical switching network.

  1. Main regularities of radiolytic transformations of bifunctional organic compounds

    International Nuclear Information System (INIS)

    Petryaev, E.P.; Shadyro, O.I.

    1985-01-01

    General regularities of the radiolysis of bifunctional organic compounds (α-diols, ethers of α-diols, amino alcohols, hydroxy aldehydes and hydroxy asids) in aqueous solutions from the early stages of the process to formation of finite products are traced. It is pointed out that the most characteristic course of radiation-chemical, transformation of bifunctional compounds in agueous solutions in the fragmentation process with monomolecular decomposition of primary radicals of initial substrances and simultaneous scission of two vicinal in respect to radical centre bonds via five-membered cyclic transient state. The data obtained are of importance for molecular radiobiology

  2. A bitumen compound for pavements

    Energy Technology Data Exchange (ETDEWEB)

    Kanadzava, K.; Simagata, R.

    1982-08-17

    A bitumen compound is proposed which is produced through addition of finely ground coal ash to a bituminous material and subsequent homogenization of the mixture. The following may be used as the bituminous material: solid petroleum bitumen (a penetration of 10 to 150), soft petroleum bitumen (a penetration of 150 to 500), a semioxidized bitumen, a mixture of semioxidized and directly distilled bitumen, bitumen diluted by a petroleum distillate, bituminous mixtures which include rubber, tar, synthetic resins and so on. It is best to use wastes from central thermal electric power plants (TETs), which operate on coal, with a great content of oxides of aluminum, iron and calcium, as the coal ash. The ash is added to the bitumen in a volume of 10 to 40 percent. The compound may include a surfactant (PAV), dispersers, additives which increase the stability to layering and others. The compound is marked by increased resistance to softening in the summer, reduced brittleness at low temperatures and good adhesion to a filler.

  3. Polyfluoroalkyl compounds in landfill leachates

    International Nuclear Information System (INIS)

    Busch, Jan; Ahrens, Lutz; Sturm, Renate; Ebinghaus, Ralf

    2010-01-01

    Polyfluoroalkyl compounds (PFCs) are widely used in industry and consumer products. These products could end up finally in landfills where their leachates are a potential source for PFCs into the aqueous environment. In this study, samples of untreated and treated leachate from 22 landfill sites in Germany were analysed for 43 PFCs. ΣPFC concentrations ranged from 31 to 12,819 ng/L in untreated leachate and 4-8060 ng/L in treated leachate. The dominating compounds in untreated leachate were perfluorobutanoic acid (PFBA) (mean contribution 27%) and perfluorobutane sulfonate (PFBS) (24%). The discharge of PFCs into the aqueous environment depended on the cleaning treatment systems. Membrane treatments (reverse osmosis and nanofiltrations) and activated carbon released lower concentrations of PFCs into the environment than cleaning systems using wet air oxidation or only biological treatment. The mass flows of ΣPFCs into the aqueous environment ranged between 0.08 and 956 mg/day. - The first comprehensive survey of polyfluoroalkyl compounds (PFCs) in landfill leachates.

  4. Studying the propensity of compounds to supersaturate

    DEFF Research Database (Denmark)

    Palmelund, Henrik; Madsen, Cecilie Maria; Christensen, Jakob Plum

    2016-01-01

    Supersaturating drug delivery systems can enhance the oral bioavailability of poorly soluble drug compounds. Supersaturation of such compounds has been studied in many different ways; however, a more standardized method is required. The rationale of choosing suitable concentrations of supersatura......Supersaturating drug delivery systems can enhance the oral bioavailability of poorly soluble drug compounds. Supersaturation of such compounds has been studied in many different ways; however, a more standardized method is required. The rationale of choosing suitable concentrations...... of supersaturation to study has previously been very inconsistent. This makes comparisons between studies and compounds difficult, as the propensity of compounds to supersaturate varies greatly. This study presents a standardized method to study the supersaturation of drug compounds. The method allows, both......, for a ranking of compounds according to their supersaturation propensity and the effectiveness of precipitation inhibitors. The time-concentration profile of supersaturation and precipitation was studied in situ for 4 different concentrations for 6 model compounds (albendazole, aprepitant, danazol, felodipine...

  5. Singlet ground state in the spin-1/2 weakly coupled dimer compound NH4[ (V2O3)2(4,4'-b p y ) 2(H2PO4)(PO4)2] .0.5 H2O

    Science.gov (United States)

    Arjun, U.; Kumar, Vinod; Anjana, P. K.; Thirumurugan, A.; Sichelschmidt, J.; Mahajan, A. V.; Nath, R.

    2017-05-01

    We present the synthesis and a detailed investigation of structural and magnetic properties of polycrystalline NH4[(V2O3)2(4,4'-b p y ) 2(H2PO4) (PO4)2] .0.5 H2O by means of x-ray diffraction, magnetic susceptibility, electron spin resonance, and 31P nuclear magnetic resonance measurements. Temperature-dependent magnetic susceptibility could be described well using a weakly coupled spin-1/2 dimer model with an excitation gap Δ /kB≃26.1 K between the singlet ground state and triplet excited states and a weak interdimer exchange coupling J'/kB≃4.6 K. A gapped chain model also describes the data well with a gap of about 20 K. The electron spin resonance intensity as a function of temperature traces the bulk susceptibility nicely. The isotropic Landé g factor is estimated to be about g ≃1.97 , at room temperature. We are able to resolve the 31P NMR signal as coming from two inequivalent P sites in the crystal structure. The hyperfine coupling constant between 31P nucleus and V4 + spins is calculated to be Ahf(1 ) ≃2963 Oe/μB and Ahf(2 ) ≃1466 Oe/μB for the P(1) and P(2) sites, respectively. Our NMR shift and spin-lattice relaxation rate for both the 31P sites show an activated behavior at low temperatures, further confirming the singlet ground state. The estimated value of the spin gap from the NMR data measured in an applied field of H =9.394 T is consistent with the gap obtained from the magnetic susceptibility analysis using the dimer model. Because of a relatively small spin gap, NH4[(V2O3)2(4,4'-b p y ) 2(H2PO4) (PO4)2] .0.5 H2O is a promising compound for further experimental studies under high magnetic fields.

  6. X-Ray Diffraction of Intermetallic Compounds: A Physical Chemistry Laboratory Experiment

    Science.gov (United States)

    Varberg, Thomas D.; Skakuj, Kacper

    2015-01-01

    Here we describe an experiment for the undergraduate physical chemistry laboratory in which students synthesize the intermetallic compounds AlNi and AlNi3 and study them by X-ray diffractometry. The compounds are synthesized in a simple one-step reaction occurring in the solid state. Powder X-ray diffractograms are recorded for the two compounds…

  7. Luminescence of Ce doped oxygen crystalline compounds based on Hf and Ba

    CERN Document Server

    Borisevich, A E; Lecoq, P

    2003-01-01

    The luminescence properties of the Ce-doped hafnium and barium compounds have been investigated to determine their potential as heavy scintillation materials. Compounds have been prepared by solid state synthesis. All of them have shown a bright luminescence attributed to trivalent cerium. Emission bands are peaked in the 425-475nm spectral region at room temperature.

  8. Investigations on organogermanium compounds XII. Reactions of trialkylgermylalkalimetal compounds in hexamethylphosphoric triamide (HMPT) with some inorganic and organic compounds

    NARCIS (Netherlands)

    Bulten, E.J.; Noltes, J.G.

    1971-01-01

    Trialkylgermyl alkali metal compounds in HMPT have been found to be highly reactive nucleophiles. Reactions with some inorganic and organic compounds, such as oxygen, carbon dioxide, inorganic and orgaanic halides, aldehydes, ketones, epoxides and lactones are described. Several new

  9. Volatile flavor compounds in yogurt: a review.

    Science.gov (United States)

    Cheng, Hefa

    2010-11-01

    Considerable knowledge has been accumulated on the volatile compounds contributing to the aroma and flavor of yogurt. This review outlines the production of the major flavor compounds in yogurt fermentation and the analysis techniques, both instrumental and sensory, for quantifying the volatile compounds in yogurt. The volatile compounds that have been identified in plain yogurt are summarized, with the few key aroma compounds described in detail. Most flavor compounds in yogurt are produced from lipolysis of milkfat and microbiological transformations of lactose and citrate. More than 100 volatiles, including carbonyl compounds, alcohols, acids, esters, hydrocarbons, aromatic compounds, sulfur-containing compounds, and heterocyclic compounds, are found in yogurt at low to trace concentrations. Besides lactic acid, acetaldehyde, diacetyl, acetoin, acetone, and 2-butanone contribute most to the typical aroma and flavor of yogurt. Extended storage of yogurt causes off-flavor development, which is mainly attributed to the production of undesired aldehydes and fatty acids during lipid oxidation. Further work on studying the volatile flavor compounds-matrix interactions, flavor release mechanisms, and the synergistic effect of flavor compounds, and on correlating the sensory properties of yogurt with the compositions of volatile flavor compounds are needed to fully elucidate yogurt aroma and flavor.

  10. Fruit tree model for uptake of organic compounds from soil

    DEFF Research Database (Denmark)

    Trapp, Stefan; Rasmussen, D.; Samsoe-Petersen, L.

    2003-01-01

    -state, and an example calculation is given. The Fruit Tree Model is compared to the empirical equation of Travis and Arms (T&A), and to results from fruits, collected in contaminated areas. For polar compounds, both T&A and the Fruit Tree Model predict bioconcentration factors fruit to soil (BCF, wet weight based......) of > 1. No empirical data are available to support this prediction. For very lipophilic compounds (log K-OW > 5), T&A overestimates the uptake. The conclusion from the Fruit Tree Model is that the transfer of lipophilic compounds into fruits is not relevant. This was also found by an empirical study...... with PCDD/F. According to the Fruit Tree Model, polar chemicals are transferred efficiently into fruits, but empirical data to verify these predictions are lacking....

  11. Nitrogen Compounds in Radiation Chemistry

    International Nuclear Information System (INIS)

    Sims, H.E.; Dey, G.R.; Vaudey, C.E.; Peaucelle, C.; Boucher, J.L.; Toulhoat, N.; Bererd, N.; Koppenol, W.H.; Janata, E.; Dauvois, V.; Durand, D.; Legand, S.; Roujou, J.L.; Doizi, D.; Dannoux, A.; Lamouroux, C.

    2009-01-01

    Water radiolysis in presence of N 2 is probably the topic the most controversy in the field of water radiolysis. It still exists a strong discrepancy between the different reports of ammonia formation by water radiolysis in presence of N 2 and moreover in absence of oxygen there is no agreement on the formation or not of nitrogen oxide like NO 2 - and NO 3 -. These discrepancies come from multiple sources: - the complexity of the reaction mechanisms where nitrogen is involved - the experimental difficulties - and, the irradiation conditions. The aim of the workshop is to capitalize the knowledge needed to go further in simulations and understanding the problems caused (or not) by the presence of nitrogen / water in the environment of radioactive materials. Implications are evident in terms of corrosion, understanding of biological systems and atmospheric chemistry under radiation. Topics covered include experimental and theoretical approaches, application and fundamental researches: - Nitrate and Ammonia in radiation chemistry in nuclear cycle; - NOx in biological systems and atmospheric chemistry; - Formation of Nitrogen compounds in Nuclear installations; - Nitrogen in future power plant projects (Gen4, ITER...) and large particle accelerators. This document gathers the transparencies available for 7 of the presentations given at this workshop. These are: - H.E SIMS: 'Radiation Chemistry of Nitrogen Compounds in Nuclear Power Plant'; - G.R. DEY: 'Nitrogen Compounds Formation in the Radiolysis of Aqueous Solutions'; - C.E. VAUDEY et al.: 'Radiolytic corrosion of nuclear graphite studied with the dedicated gas irradiation cell of IPNL'; - J.L. BOUCHER: 'Roles and biosynthesis of NO in eukaryotes and prokaryotes'; - W.H. KOPPENOL: 'Chemistry of NOx'; - E. JANATA: 'Yield of OH in N 2 O saturated aqueous solution'; - V. DAUVOIS: 'Analytical strategy for the study of radiolysis gases'

  12. DNA modification by alkylating compounds

    Energy Technology Data Exchange (ETDEWEB)

    Kruglyakova, E.E.

    1985-09-01

    Results are given for research on the physico-chemical properties of alkylating compounds - nitroso alkyl ureas (NAU) which possess a broad spectrum of biological activity, such as mutagenic, carcinogenic, and anti-tumor action that is due to the alkylation and carbamoylation of DNA as well as other cellular components. Identified chemical products of NAU interaction with DNA and its components are cited. Structural conversions of a DNA macromolecule resulting from its chemical modification are examined. NAU are used to discuss possible biological consequences of DNA modification. 148 references.

  13. Unpacking Noun-Noun Compounds

    DEFF Research Database (Denmark)

    Smith, Viktor; Barratt, Daniel; Zlatev, Jordan

    2014-01-01

    In two complementary experiments we took an integrated approach to a set of tightly interwoven, yet rarely combined questions concerning the spontaneous interpretation of novel (unfamiliar) noun-noun compounds (NNCs) when encountered in isolation, and possible (re)interpretations of novel as well...... concerning the relations between semantics and pragmatics, as well as system and usage, and psycholinguistic issues concerning the processing of NNCs. New insights and methodological tools are also provided for supporting future best practices in the field of food naming and labelling...

  14. Raman spectra of lithium compounds

    Science.gov (United States)

    Gorelik, V. S.; Bi, Dongxue; Voinov, Y. P.; Vodchits, A. I.; Gorshunov, B. P.; Yurasov, N. I.; Yurasova, I. I.

    2017-11-01

    The paper is devoted to the results of investigating the spontaneous Raman scattering spectra in the lithium compounds crystals in a wide spectral range by the fibre-optic spectroscopy method. We also present the stimulated Raman scattering spectra in the lithium hydroxide and lithium deuteride crystals obtained with the use of powerful laser source. The symmetry properties of the lithium hydroxide, lithium hydroxide monohydrate and lithium deuteride crystals optical modes were analyzed by means of the irreducible representations of the point symmetry groups. We have established the selection rules in the Raman and infrared absorption spectra of LiOH, LiOH·H2O and LiD crystals.

  15. Selenium-containing indolyl compounds

    DEFF Research Database (Denmark)

    Casaril, Angela M; Ignasiak, Marta T; Chuang, Christine Y

    2017-01-01

    materials, including extracellular matrix (ECM) proteins, within the artery wall. Here we investigated the potential of selenium-containing indoles to afford protection against these oxidants, by determining rate constants (k) for their reaction, and quantifying the extent of damage on isolated ECM proteins......Tyr on HCAEC-ECM were also reduced. These data demonstrate that the novel selenium-containing compounds show high reactivity with oxidants and may modulate oxidative and nitrosative damage at sites of inflammation, contributing to a reduction in tissue dysfunction and atherogenesis....

  16. Benzimidazoles: A biologically active compounds

    Directory of Open Access Journals (Sweden)

    Salahuddin

    2017-02-01

    Full Text Available Synthesis of commercially available benzimidazole involves condensation of o-phenylenediamine with formic acid. The most prominent benzimidazole compound in nature is N-riosyldimethylbenzimidazole, which serves as a axial ligand for cobalt in vitamin B12. The benzimidazole and its derivatives play a very important role as a therapeutic agent e.g. antiulcer and anthelmintic drugs. Apart from this the benzimidazole derivatives exhibit pharmacological activities such as antimicrobial, antiviral, anticancer, anti-inflammatory, analgesic, etc. The substituted benzimidazoles are summarized in this review to know about the chemistry as well as pharmacological activities.

  17. Characterisation of selected volatile organic compounds in ...

    African Journals Online (AJOL)

    GCMS), was used to identify volatile compounds at three different temperatures. Fifty volatile compounds, inclusive of 14 acids, 14 alcohols, and 22 esters were identified and quantified in the two brands of indigenous banana beer samples. Only 12 ...

  18. Genetic effects of organic mercury compounds

    Energy Technology Data Exchange (ETDEWEB)

    Ramel, C

    1967-01-01

    Studies on the genetic and developmental effects of organic mercury compounds on lilies, drosophila, and ice were carried out. It was found that chromosomal and developmental abnormalities were correlated with the administration of mercury compounds.

  19. Butyl Rubber: Compound Development and Characterization

    National Research Council Canada - National Science Library

    Sloan, James

    2000-01-01

    ...), to develop the standard butyl rubber compound. The strategy of this work was to compound- and compression-mold high-quality, uniform butyl rubber experimental sheets and to evaluate their cure properties, mechanical properties...

  20. Potent antifouling compounds produced by marine Streptomyces

    KAUST Repository

    Xu, Ying; He, Hongping; Schulz, Stefan; Liu, Xin; Fusetani, Nobushino; Xiong, Hairong; Xiao, Xiang; Qian, Peiyuan

    2010-01-01

    of a marine Streptomyces strain obtained from deep-sea sediments. Antifouling activities of these five compounds and four other structurally-related compounds isolated from a North Sea Streptomyces strain against major fouling organisms were compared

  1. Aroma compounds in fresh cut pomegranate arils.

    Science.gov (United States)

    Little published information exists regarding flavor and aroma compounds in pomegranate (Punica granatum). Although arils have fruity and sweet characteristics, we found no publications describing actual compounds responsible for their typical flavor. Since most commercial usage of pomegranates in...

  2. State of the States

    Science.gov (United States)

    Journal of Education Finance, 2017

    2017-01-01

    In 2016, a group of school finance scholars and public school practitioners gathered in Jacksonville, Florida, for the National Education Finance Academy's annual conference to discuss, among an array of topics, the state of P-20 finance in all 50 states. At the roundtable discussion, 36 states were represented, and scholars representing 30 states…

  3. Two new acetylenic compounds from Asparagus officinalis.

    Science.gov (United States)

    Li, Xue-Mei; Cai, Jin-Long; Wang, Wen-Xiang; Ai, Hong-Lian; Mao, Zi-Chao

    2016-01-01

    Two new acetylenic compounds, asparoffins A (1) and B (2), together with two known compounds, nyasol (3) and 3″-methoxynyasol (4), were isolated from stems of Asparagus officinalis. The structures of two new compounds were elucidated on the basis of detailed spectroscopic analyses (UV, IR, MS, 1D, and 2D NMR). All compounds were evaluated for their cytotoxicities against three human cancer cell lines.

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

    Energy Technology Data Exchange (ETDEWEB)

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

    2014-04-15

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

  5. Boosting compound-protein interaction prediction by deep learning.

    Science.gov (United States)

    Tian, Kai; Shao, Mingyu; Wang, Yang; Guan, Jihong; Zhou, Shuigeng

    2016-11-01

    The identification of interactions between compounds and proteins plays an important role in network pharmacology and drug discovery. However, experimentally identifying compound-protein interactions (CPIs) is generally expensive and time-consuming, computational approaches are thus introduced. Among these, machine-learning based methods have achieved a considerable success. However, due to the nonlinear and imbalanced nature of biological data, many machine learning approaches have their own limitations. Recently, deep learning techniques show advantages over many state-of-the-art machine learning methods in some applications. In this study, we aim at improving the performance of CPI prediction based on deep learning, and propose a method called DL-CPI (the abbreviation of Deep Learning for Compound-Protein Interactions prediction), which employs deep neural network (DNN) to effectively learn the representations of compound-protein pairs. Extensive experiments show that DL-CPI can learn useful features of compound-protein pairs by a layerwise abstraction, and thus achieves better prediction performance than existing methods on both balanced and imbalanced datasets. Copyright © 2016 Elsevier Inc. All rights reserved.

  6. Statistical molecular design of balanced compound libraries for QSAR modeling.

    Science.gov (United States)

    Linusson, A; Elofsson, M; Andersson, I E; Dahlgren, M K

    2010-01-01

    A fundamental step in preclinical drug development is the computation of quantitative structure-activity relationship (QSAR) models, i.e. models that link chemical features of compounds with activities towards a target macromolecule associated with the initiation or progression of a disease. QSAR models are computed by combining information on the physicochemical and structural features of a library of congeneric compounds, typically assembled from two or more building blocks, and biological data from one or more in vitro assays. Since the models provide information on features affecting the compounds' biological activity they can be used as guides for further optimization. However, in order for a QSAR model to be relevant to the targeted disease, and drug development in general, the compound library used must contain molecules with balanced variation of the features spanning the chemical space believed to be important for interaction with the biological target. In addition, the assays used must be robust and deliver high quality data that are directly related to the function of the biological target and the associated disease state. In this review, we discuss and exemplify the concept of statistical molecular design (SMD) in the selection of building blocks and final synthetic targets (i.e. compounds to synthesize) to generate information-rich, balanced libraries for biological testing and computation of QSAR models.

  7. Comparative Evaluation of Biofunctional Compounds Content from Different Herbal Infusions

    Directory of Open Access Journals (Sweden)

    Anca C. Fărcaş

    2015-11-01

    Full Text Available Tea is the most important non-alcoholic beverage in the world being appreciated for its stimulant properties and health benefits. The aim of the present study was to evaluate the content in caffeine, phenolic compounds, flavonoids, as well as the antioxidant activity of five different herbal infusion samples in oder to compare the amount of these bioactive compounds from traditional Romanian medicinal plants and Chinese tea plants. Green tea, black tea, linden (lime tea, mint, and St. John's wort were chosen as materials for the preparation of infusion and laboratory analyses. The caffeine was extracted with dichloromethane and then was quantified by measuring the absorbance of the extract at 260 nm. The quantification of total phenolic compounds was achieved by Folin-Ciocalteu method, while the flavonoid content was determined using a chromogenic system of NaNO2-(Al(NO33-NaOH based on spectrophotometric method. The antioxidant capacity of each tea sample was assessed by evaluating their radical scavenging  activity on DPPH radical. The largest content in antioxidant compounds was found in green, but also in the mint infusion sample, while black tea has registered the highest caffeine content. Following the results obtained it can be stated that all the analysed samples contain remarkable amounts of biologically active compounds essential for the human body healt.

  8. Memory and Perfection in Ferroelastic Inclusion Compounds

    International Nuclear Information System (INIS)

    Hollingsworth, M.; Peterson, M.; Rush, J.; Brown, M.; Abel, M.; Black, A.; Dudley, M.; Raghothamachar, B.; Werner-Zwanziger, U.

    2005-01-01

    In a series of ferroelastic urea inclusion compounds (UICs), in which domain reorientation occurs upon application of an external anisotropic force, introduction of a relaxive impurity that disrupts a specific hydrogen-bonding network transforms a plastic (irreversible) domain-switching process into one that exhibits a striking memory effect and 'rubber-like behavior', a form of pseudoelasticity. As expected for a highly cooperative process, the ferroelastic response to the impurity concentration exhibits a critical threshold. Through synchrotron white-beam X-ray topography (SWBXT) of crystals under stress, videomicroscopy of spontaneous repair during crystal growth, acoustomechanical relaxation of daughter domains, kinetic measurements of spontaneous domain reversion, and solid-state 2 H NMR of labeled guests, this work shows how relaxive impurities lower the barrier to domain switching and how differences in perfection between mother and daughter domains provide the driving force for the memory effects. Although the interfacial effects implicated here are different from the volume effects that operate in certain shape memory materials, the twinning and defect phenomena responsible for the rubber-like behavior and memory effects should be generally applicable to domain switching in ferroelastic and ferroelectric crystals and to other solid-state processes

  9. Raman scattering study of filled skutterudite compounds

    International Nuclear Information System (INIS)

    Ogita, N; Kojima, R; Hasegawa, T; Takasu, Y; Udagawa, M; Kondo, T; Takeda, N; Ikeno, T; Ishikawa, K; Sugawara, H; Kikuchi, D; Sato, H; Sekine, C; Shirotani, I

    2007-01-01

    Raman scattering of skutterudite compounds RT 4 X 12 (R=La, Ce, Pr, Nd, Sm and Yb, T=Fe, Ru and Os, X=P and Sb) have been measured. All first-order Raman active phonons are observed and are assigned as the pnicogen vibrations. At the low energy region, the second-order phonons, due to the vibration of the rare earth ions with a flat phonon dispersion, are observed in the spectra of RRu 4 P 12 (R=La and Sm) and ROs 4 Sb 12 (R=La, Ce, Pr, Nd, and Sm). The appearance of the second-order phonons in the spectra is caused by an anharmonic vibrations of rare earth ions in large cage space and a large density of state due to the flat phonon dispersion. However, in spite of the similar cage space, the 2nd-order phonons are hardly observed for RFe 4 Sb 12 and RRu 4 Sb 12 . Thus, these results suggest that the dynamics of the rare earth ion is closely related to not only the cage size but also the electronic state due to the transition metals. Raman spectra of PrRu 4 P 12 show the drastic spectral change due to the metal-insulator transition. The phonon spectra and crystal field excitations due to the structural change have been assigned above and below the transition temperature

  10. Semiconducting compounds and devices incorporating same

    Science.gov (United States)

    Marks, Tobin J.; Facchetti, Antonio; Boudreault, Pierre-Luc; Miyauchi, Hiroyuki

    2016-01-19

    Disclosed are molecular and polymeric compounds having desirable properties as semiconducting materials. Such compounds can exhibit desirable electronic properties and possess processing advantages including solution-processability and/or good stability. Organic transistor and photovoltaic devices incorporating the present compounds as the active layer exhibit good device performance.

  11. Separation of compounds differing in isotopic composition

    International Nuclear Information System (INIS)

    Sievers, R.E.; Brooks, J.J.

    1976-01-01

    Compounds differing in isotopic composition are separated by introducing a mixture of the compounds into a chromatographic column containing a lanthanide chelate as a stationary phase and eluting from the column a fraction which is at least enriched with one of the compounds of the mixture. 17 claims, no drawings

  12. Separation of compounds differing in isotopic composition

    International Nuclear Information System (INIS)

    Sievers, R.E.; Brooks, J.J.

    1975-01-01

    Compounds differing in isotopic composition are separated by introducing a mixture of the compounds into a chromatographic column containing a lanthanide chelate as a stationary phase and eluting from the column a fraction that is at least enriched with one of the compounds of the mixture. (U.S.)

  13. Thin films of mixed metal compounds

    Science.gov (United States)

    Mickelsen, Reid A.; Chen, Wen S.

    1985-01-01

    A compositionally uniform thin film of a mixed metal compound is formed by simultaneously evaporating a first metal compound and a second metal compound from independent sources. The mean free path between the vapor particles is reduced by a gas and the mixed vapors are deposited uniformly. The invention finds particular utility in forming thin film heterojunction solar cells.

  14. Antimicrobial compounds of porcine mucosa

    Science.gov (United States)

    Kotenkova, E. A.; Lukinova, E. A.; Fedulova, L. V.

    2017-09-01

    The aim of the study was to investigate porcine oral cavity mucosa (OCM), nasal cavity mucosa (NCM), rectal mucosa (RM) and tongue mucosa (TM) as sources of antimicrobial compounds. Ultrafiltrates with MW >30 kDa, MW 5-30 kDa and MW 30 kDa, the zone of microbial growth inhibition was 7.5 mm, for the MW<5 kDa fraction, it was 7 mm, and for MW 5-30 kDa fraction, it was 4.5 mm. No significant differences were found in high molecular weight proteomic profile, while qualitative and quantitative differences were observed in the medium and low molecular weight areas, especially in OCM and NCM. HPLC showed 221 tissue-specific peptides in OCM, 156 in NCM, 225 in RM, but only 5 in TM. The results observed confirmed porcine mucous tissues as a good source of antimicrobial compounds, which could be an actual alternative for reduction of microbial spoilage of foods.

  15. Antioxidant Phenolic Compounds from Pu-erh Tea

    Directory of Open Access Journals (Sweden)

    Shu Shan Du

    2012-11-01

    Full Text Available Eight compounds were isolated from the water extract of Pu-erh tea and their structures were elucidated by NMR and MS as gallic acid (1, (+-catechin (2, (−-epicatechin (3, (−-epicatechin-3-O-gallate (4, (−-epigallocatechin-3-O-gallate (5, (−-epiafzelechin- 3-O-gallate (6, kaempferol (7, and quercetin (8. Their in vitro antioxidant activities were assessed by the DPPH and ABTS scavenging methods with microplate assays. The relative order of DPPH scavenging capacity for these compounds was compound 8 > compound 7 > compound 1 > compound 6 > compound 4 ≈ compound 5 > compound 2 > VC (reference > compound 3, and that of ABTS scavenging capacity was compound 1 > compound 2 > compound 7 ≈ compound 8 > compound 6 > compound 5 > compound 4 > VC (reference > compound 3. The results showed that these phenolic compounds contributed to the antioxidant activity of Pu-erh tea.

  16. Process for the manufacture of a superconductor with an intermetallic compound

    International Nuclear Information System (INIS)

    Wilhelm, M.

    1980-01-01

    A superconductor with a superconducting intermetallic compound consisting of at least two elements can be manufactured by producing a conductor preproduct with a first component containing one element of the compound and a second component consisting of a carrier metal and the remaining element or elements of the alloy containing the compound, and by heat treating the conductor preproduct, so that the compound is formed by the reaction of the element of the first compound with the remaining element or elements of the second compound. In such a superconductor, one tries to increase the effective current density and critical current. The invention states that the heat treatment should be carried out in a hydrogen atmosphere. Superconductors produced by this process can be used for superconductor devices whose magnetic fields have a flux density above 10 Tesla. (orig.) [de

  17. Recent studies of transplutonium compounds: new directions and use of extreme conditions

    International Nuclear Information System (INIS)

    Peterson, J.R.; Begun, G.M.; Gibson, J.K.

    1987-01-01

    The number of bulk-phase compounds prepared and characterized for each of the transplutonium (TPu) elements drops off precipitously with increasing atomic number. However, efforts have been made to increase the number of TPu compounds known and also the range of investigative methods applied to their characterization. The results of a worldwide survey to determine the status of the preparation of new TPu compounds and/or the application of new investigative techniques to the study of such compounds in bulk will be presented. The focus will then shift to Oak Ridge projects: extreme conditions of pressure and/or temperature are being used for synthesis and for absorption and raman spectral studies; single crystals of trihalides are being grown for spectral and magnetic studies; new ternary chalcogenide-halide compounds are being characterized; vaporization thermodynamics of TPu compounds are being determined; and attempts to stabilize unusual oxidation states are being carried out

  18. Bioavailability of dietary phenolic compounds: Review

    Directory of Open Access Journals (Sweden)

    Erick Gutiérrez-Grijalva Paul Gutiérrez-Grijalva

    2015-12-01

    Full Text Available Phenolic compounds are ubiquitous in plant-based foods. High dietary intake of fruits, vegetables and cereals is related to a decreased rate in chronic diseases. Phenolic compounds are thought to be responsible, at least in part, for those health effects. Nonetheless, phenolic compounds bioaccessibility and biotransformation is often not considered in these studies; thus, a precise mechanism of action of phenolic compounds is not known. In this review we aim to present a comprehensive knowledge of the metabolic processes through which phenolic compounds go after intake.

  19. Theoretical Study of Some Nitrososulfamide Compounds with Antitumor Activity

    Directory of Open Access Journals (Sweden)

    Madi Fatiha

    2004-09-01

    Full Text Available The lowest-energy conformations of four 2-chloroethylnitrososulfamides were determined using the MM+ molecular mechanics method as implemented in Hyperchem 6.0. Some of the calculated structural parameters, angles and bonds lengths were compared with the crystal structure data of N-nitroso-N-(2-chloroethyl-N’-sulfamoyl- proline. Using MM+, AM1 and PM3 the anti conformation was predicted to be more stable than the syn conformation in each of these compounds. With these methods we found that the relative energy of the transition state (TS was considerably higher, but with the ab initio method using RHF with minimal basic function STO-3G we found that the syn conformation is predicted to be slightly more stable. The determination of some atomic charges of a selection of atoms on the syn, anti and TS structures of the various compounds provided some details about the nature of the transition state.

  20. The formation of lithium diarylargentates from arylsilver compounds and the corresponding aryllithium compounds

    NARCIS (Netherlands)

    Blenkers, J.; Hofstee, H.K.; Boersma, J.; Kerk, G.J.M. van der

    1979-01-01

    Diarylsilverlithium compounds of the type Ar2AgLi are formed by treating arylsilver compounds with the corresponding aryllithium compounds. Cryoscopy in benzene shows that the Ar2AgLi compounds are associated into dimers. NMR spectroscopic data indicate that only one type of aryl group is present in

  1. Investigations on Ce- and Yb-based intermetallic compounds

    International Nuclear Information System (INIS)

    Elenbaas, R.A.

    1980-01-01

    The author describes investigations on a number of cerium- and ytterbium-based intermetallic compounds and alloys, yielding a lot of experimental results which could not always be put in a quantitative picture. All experimental data are consistent with a single-ion behaviour, where the 4f state is more or less modified by the conduction electrons. In the investigated systems several different features of the magnetism of cerium atoms in metals were studied. (Auth.)

  2. Azo group containing compounds: investigation of the decay mechanism

    Energy Technology Data Exchange (ETDEWEB)

    Franzke, D; Kritzenberger, J; Kunz, T [Paul Scherrer Inst. (PSI), Villigen (Switzerland)

    1997-06-01

    We investigated compounds containing the N=N-X (X=S,P,N{sub 3}) group which are potential candidates for microstructuring by photoresist technology or by photoablation. To elucidate the mechanism of thermal decomposition and photolysis we used infrared and UV spectroscopy, respectively, in solution as well as in the solid state. In this article we describe photolytic and thermolytic properties of one representative molecule for each of three substance classes: diazosulfides, azophosphonates and pentazadienes. (author) 4 figs., 4 refs.

  3. Magnetic re-entrance in intermediate valence compounds

    International Nuclear Information System (INIS)

    Allub, R.; Machiavelli, O.; Balseiro, C.; Alascio, B.

    1980-01-01

    The possibility is explored of magnetic re-entrance in intermediate valence compounds. Using a simplified Anderson-Lattice model the pressure-temperature magnetic phase diagram is obtained. This diagram shows that for some value of the microscopic parameters the temperature induced two transitions (non-magnetic to magnetically ordered to paramagnetic). The magnetization and the average occupation number of the localized state are calculated. Estimations of the observability of the effect in systems like CeAl 2 are made. (author)

  4. Oxygen transfer rate identifies priming compounds in parsley cells.

    Science.gov (United States)

    Schilling, Jana Viola; Schillheim, Britta; Mahr, Stefan; Reufer, Yannik; Sanjoyo, Sandi; Conrath, Uwe; Büchs, Jochen

    2015-11-25

    In modern agriculture, the call for an alternative crop protection strategy increases because of the desired reduction of fungicide and pesticide use and the continuously evolving resistance of pathogens and pests to agrochemicals. The direct activation of the plant immune system does not provide a promising plant protection measure because of high fitness costs. However, upon treatment with certain natural or synthetic compounds, plant cells can promote to a fitness cost-saving, primed state of enhanced defense. In the primed state, plants respond to biotic and abiotic stress with faster and stronger activation of defense, and this is often associated with immunity and abiotic stress tolerance. Until now, the identification of chemical compounds with priming-inducing activity (so-called plant activators) relied on tedious and invasive approaches, or required the late detection of secreted furanocoumarin phytoalexins in parsley cell cultures. Thus, simple, fast, straightforward, and noninvasive techniques for identifying priming-inducing compounds for plant protection are very welcome. This report demonstrates that a respiration activity-monitoring system (RAMOS) can identify compounds with defense priming-inducing activity in parsley cell suspension in culture. RAMOS relies on the quasi-continuous, noninvasive online determination of the oxygen transfer rate (OTR). Treatment of parsley culture cells with the known plant activator salicylic acid (SA), a natural plant defense signal, resulted in an OTR increase. Addition of the defense elicitor Pep13, a cell wall peptide of Phythophthora sojae, induced two distinctive OTR peaks that were higher in SA-primed cells than in unprimed cells upon Pep13 challenge. Both, the OTR increase after priming with SA and the Pep13 challenge were dose-dependent. Furthermore, there was a close correlation of a compound's activity to enhance the oxygen consumption in parsley cells and its capacity to prime Pep13-induced furanocoumarin

  5. Diffusion mechanisms in intermetallic compounds

    Energy Technology Data Exchange (ETDEWEB)

    Larikov, L N [ANU, Inst. Metallofiziki, Kiev (Ukraine)

    1992-08-01

    Recent research aimed at the identification of the principal mechanisms of diffusion in intermetallics is reviewed. In particular, attention is given to the effect of the type of interatomic bond on the contribution of different mechanisms to diffusion in ordered metallic compounds. Results of an analysis of experimental determinations of diffusion coefficients D(A) and D(B) in binary intermetallics (CuZn, Cu3Sn, AuCd, AgZn, AgMg, InSb, GaSb, AlSb, Fe3Al, FeAl, FeAl3, Ni3Al, Ni3Nb, FeSn, FeSn2, Ni3Sn2, Ni3Sn4, Co3Sn2, CoSn, CoSn2, and CoGa) are presented, and it is shown that the D(A)/D(B) ratio differs substantially for different diffusion mechanisms. 60 refs.

  6. Compound induction electric rotating machine

    Energy Technology Data Exchange (ETDEWEB)

    Decesare, D

    1987-07-28

    The present invention generally relates to dynamo-electric machines cabable of operating in a generator mode or in a motor mode and more specifically, to increased efficiency compound interaction AC and/or DC dynamo-electric machines. This patent describes such a machine having a distributed armature winding in a cylindrical rotor wound to form axial and substantially radial winding portions and including permanent and/or electromagnets to couple magnetic flux into the peripheral or circumferential surface of the rotor, and to provide interaction between a magnetic field formed beyond the rotor axial surfaces and the rotor to thereby enhance the total induction of flux into the rotor for improved, more efficient operation. 28 figs.,

  7. METHOD OF RECOVERING URANIUM COMPOUNDS

    Science.gov (United States)

    Poirier, R.H.

    1957-10-29

    S>The recovery of uranium compounds which have been adsorbed on anion exchange resins is discussed. The uranium and thorium-containing residues from monazite processed by alkali hydroxide are separated from solution, and leached with an alkali metal carbonate solution, whereby the uranium and thorium hydrorides are dissolved. The carbonate solution is then passed over an anion exchange resin causing the uranium to be adsorbed while the thorium remains in solution. The uranium may be recovered by contacting the uranium-holding resin with an aqueous ammonium carbonate solution whereby the uranium values are eluted from the resin and then heating the eluate whereby carbon dioxide and ammonia are given off, the pH value of the solution is lowered, and the uranium is precipitated.

  8. Compound verbs in English revisited

    Directory of Open Access Journals (Sweden)

    Alexandra Bagasheva

    2011-05-01

    Full Text Available Compound verbs (CVs raise a number of puzzling questions concerning their classification, their word formation properties, their basic onomasiological function and their transitory status between “relations” and “conceptual-cores”. Using the constructionist framework in the context of a usage-based network model of language, the paper develops a proposal for the classification of CVs and an account of the semantics of word formation niches of CVs created by analogy, which yield unified semantic analyses. A hypothesis is formulated concerning the acategorial nature of CV internal constituents, which naturally accommodates the proposed classification and word formation niche analyses. A hypothesis is formulated in this context concerning the intermediary status of CVs as language-cognition interface units collapsing the “relation-conceptual core” distinction. Conclusions are drawn relating to the transitory nature of most CVs as nonce creations performing a special function in communicative interaction.

  9. Compound verbs in English revisited

    Directory of Open Access Journals (Sweden)

    Alexandra Bagasheva

    2011-01-01

    Full Text Available Compound verbs (CVs raise a number of puzzling questions concerning their classification, their word formation properties, their basic onomasiological function and their transitory status between “relations” and “conceptual-cores”. Using the constructionist framework in the context of a usage-based network model of language, the paper develops a proposal for the classification of CVs and an account of the semantics of word formation niches of CVs created by analogy, which yield unified semantic analyses. A hypothesis is formulated concerning the acategorial nature of CV internal constituents, which naturally accommodates the proposed classification and word formation niche analyses. A hypothesis is formulated in this context concerning the intermediary status of CVs as language-cognition interface units collapsing the “relation-conceptual core” distinction. Conclusions are drawn relating to the transitory nature of most CVs as nonce creations performing a special function in communicative interaction.

  10. The toxicology of uranium compounds

    International Nuclear Information System (INIS)

    Brickner, D.

    1988-11-01

    This review of literature presents and criticises the current knowledge relevant to risk assessment in cases of human exposure to natural uranium compounds due to industrial accidents. The major risk of high uranium exposure is renal-tubular damage which may lead to acute renal insufficiency and death. Radiation damage is not expected in these circumstances. In this review the metabolism of uranium in the body, the health effects and the possible medical treatment are discussed, with an emphasis on relatively large exposure of short duration. The current ICRP lung model does not represent all the factors affecting the kinetics of uranium oxides in the respiratory tract. The significance of these factors, not represented by the model, for risk assessment in such exposures, is not known. The current recommendations for treatment are not scientifically based. Further investigations are urgently needed to enable a rational medical preparadness

  11. Action recognition using mined hierarchical compound features.

    Science.gov (United States)

    Gilbert, Andrew; Illingworth, John; Bowden, Richard

    2011-05-01

    The field of Action Recognition has seen a large increase in activity in recent years. Much of the progress has been through incorporating ideas from single-frame object recognition and adapting them for temporal-based action recognition. Inspired by the success of interest points in the 2D spatial domain, their 3D (space-time) counterparts typically form the basic components used to describe actions, and in action recognition the features used are often engineered to fire sparsely. This is to ensure that the problem is tractable; however, this can sacrifice recognition accuracy as it cannot be assumed that the optimum features in terms of class discrimination are obtained from this approach. In contrast, we propose to initially use an overcomplete set of simple 2D corners in both space and time. These are grouped spatially and temporally using a hierarchical process, with an increasing search area. At each stage of the hierarchy, the most distinctive and descriptive features are learned efficiently through data mining. This allows large amounts of data to be searched for frequently reoccurring patterns of features. At each level of the hierarchy, the mined compound features become more complex, discriminative, and sparse. This results in fast, accurate recognition with real-time performance on high-resolution video. As the compound features are constructed and selected based upon their ability to discriminate, their speed and accuracy increase at each level of the hierarchy. The approach is tested on four state-of-the-art data sets, the popular KTH data set to provide a comparison with other state-of-the-art approaches, the Multi-KTH data set to illustrate performance at simultaneous multiaction classification, despite no explicit localization information provided during training. Finally, the recent Hollywood and Hollywood2 data sets provide challenging complex actions taken from commercial movie sequences. For all four data sets, the proposed hierarchical

  12. Occurrence of cyanazine compounds in groundwater: Degradates more prevalent than the parent compound

    Science.gov (United States)

    Kolpin, D.W.; Thurman, E.M.; Linhart, S.M.

    2001-01-01

    A recently developed analytical method using liquid chromatography/mass spectrometry was used to investigate the occurrence of cyanazine and its degradates cyanazine acid (CAC), cyanazine amide (CAM), deethylcyanazine (DEC), and deethylcyanazine acid (DCAC) in groundwater. This research represents some of the earliest data on the occurrence of cyanazine degradates in groundwater. Although cyanazine was infrequently detected in the 64 wells across Iowa sampled in 1999, cyanazine degradates were commonly found during this study. The most frequently detected cyanazine compound was DCAC (32.8%) followed by CAC (29.7%), CAM (17.2%), DEC (3.1%), and cyanazine (3.1%). The frequency of detection for cyanazine or one or more of its degradates (CYTOT) was more than 12-fold over that of cyanazine alone (39.1% for CYTOT versus 3.1% for cyanazine). Of the total measured concentration of cyanazine, only 0.2% was derived from its parent compound - with DCAC (74.1%) and CAC (18.4%) comprising 92.5% of this total. Thus, although DCAC and CAC had similar frequencies of detection, DCAC was generally present in higher concentrations. No concentrations of cyanazine compounds for this study exceeded water-quality criteria for the protection of human health. Only cyanazine, however, has such a criteria established. Nevertheless, because these cyanazine degradates are still chlorinated, they may have similar toxicity as their parent compound - similar to what has been found with the chlorinated degradates of atrazine. Thus, the results of this study documented that data on the degradates for cyanazine are critical for understanding its fate and transport in the hydrologic system. Furthermore, the prevalence of the chlorinated degradates of cyanazine found in groundwater suggests that to accurately determine the overall effect on human health and the environment from cyanazine its degradates should also be considered. In addition, because CYTOT was found in 57.6% of the samples collected

  13. Electrochemical studies of ruthenium compounds

    International Nuclear Information System (INIS)

    Kumar Ghosh, B.; Chakravorty, A.

    1989-01-01

    In many ways the chemistry of transition metals is the chemistry of multiple oxidation states and the associated redox phenomena. If a particular element were to be singeld out to illustrate this viewpoint, a model choice would be ruthenium - an element that is directly or indirectly the active centre of a plethora of redox phenomena encompassing ten different oxidation states and a breathtaking diversity of structure and bonding. In the present review the authors are primarily concerned with the oxidation states of certain ligands coordinated to ruthenium. This choice is deliberate since this is one area where the unique power of electrochemical methods is splendidly revealed. Without these methods, development in this area would have been greatly hampered. A brief summary of metal oxidation states is also included as a prelude to the main subject of this review. The authors have generally emphasize the information derived which is of chemical interest leaving the details of formal electrochemical arguments in the background. The authors have reviewed the pattern and systematics of ligand redox in ruthenium complexes. The synergistic combination of electrochemical and spectroscopic methods have vastly increased our understanding of ligand phenomena during the last 15 years or so. This in turn has led to better understanding and new developments in other fields. Photophysics and photochemistry could be cited as examples. (author). 176 refs.; 10 figs.; 10 tabs

  14. Organic electronic devices using phthalimide compounds

    Science.gov (United States)

    Hassan, Azad M.; Thompson, Mark E.

    2010-09-07

    Organic electronic devices comprising a phthalimide compound. The phthalimide compounds disclosed herein are electron transporters with large HOMO-LUMO gaps, high triplet energies, large reduction potentials, and/or thermal and chemical stability. As such, these phthalimide compounds are suitable for use in any of various organic electronic devices, such as OLEDs and solar cells. In an OLED, the phthalimide compounds may serve various functions, such as a host in the emissive layer, as a hole blocking material, or as an electron transport material. In a solar cell, the phthalimide compounds may serve various functions, such as an exciton blocking material. Various examples of phthalimide compounds which may be suitable for use in the present invention are disclosed.

  15. Insecticidal Activity of Cyanohydrin and Monoterpenoid Compounds

    Directory of Open Access Journals (Sweden)

    Joel R. Coats

    2000-04-01

    Full Text Available The insecticidal activities of several cyanohydrins, cyanohydrin esters and monoterpenoid esters (including three monoterpenoid esters of a cyanohydrin were evaluated. Topical toxicity to Musca domestica L. adults was examined, and testing of many compounds at 100 mg/fly resulted in 100% mortality. Topical LD50 values of four compounds for M. domestica were calculated. Testing of many of the reported compounds to brine shrimp (Artemia franciscana Kellog resulted in 100% mortality at 10 ppm, and two compounds caused 100% mortality at 1 ppm. Aquatic LC50 values were calculated for five compounds for larvae of the yellow fever mosquito (Aedes aegypti (L.. Monoterpenoid esters were among the most toxic compounds tested in topical and aquatic bioassays.

  16. Thermoelectric properties of SnSe compound

    Energy Technology Data Exchange (ETDEWEB)

    Guan, Xinhong [State Key Laboratory of Information Photonics and Optical Communications, Ministry of Education, Beijing University of Posts and Telecommunications, P.O. Box 72, Beijing 100876 (China); Lu, Pengfei, E-mail: photon@bupt.edu.cn [State Key Laboratory of Information Photonics and Optical Communications, Ministry of Education, Beijing University of Posts and Telecommunications, P.O. Box 72, Beijing 100876 (China); Wu, Liyuan; Han, Lihong [State Key Laboratory of Information Photonics and Optical Communications, Ministry of Education, Beijing University of Posts and Telecommunications, P.O. Box 72, Beijing 100876 (China); Liu, Gang [School of Electronic Engineering, Beijing University of Posts and Telecommunications, Beijing 100876 (China); Song, Yuxin [State Key Laboratory of Functional Materials for Informatics, Shanghai Institute of Microsystem and Information Technology, Chinese Academy of Sciences, Shanghai 200050 (China); Wang, Shumin [State Key Laboratory of Functional Materials for Informatics, Shanghai Institute of Microsystem and Information Technology, Chinese Academy of Sciences, Shanghai 200050 (China); Photonics Laboratory, Department of Microtechnology and Nanoscience, Chalmers University of Technology, 41296 Gothenburg (Sweden)

    2015-09-15

    Highlights: • The electronic and thermoelectric properties of SnSe bulk material are studied. • The ZT can reach as high as 1.87 along yy and 1.6 along zz direction at 800k. • SnSe is an indirect-band material, and SOC has little effect on the band structure. • The high ZT can be attributed to the intrinsically ultralow thermal conductivity. - Abstract: A first-principles study and Boltzmann transport theory have been performed to evaluate the electronic structure and thermoelectric properties of SnSe compound. The energy band structure and density of states are studied in detail. The electronic transport coefficients are then calculated as a function of chemical potential or temperature within the assumption of the constant relaxation time. The figure of merit ZT is obtained with the use of calculated thermoelectric properties and can reach as high as 1.87 along yy and 1.6 along zz direction at 800 K. Our theoretical result agrees well with previous experimental data.

  17. Thermoelectric properties of SnSe compound

    International Nuclear Information System (INIS)

    Guan, Xinhong; Lu, Pengfei; Wu, Liyuan; Han, Lihong; Liu, Gang; Song, Yuxin; Wang, Shumin

    2015-01-01

    Highlights: • The electronic and thermoelectric properties of SnSe bulk material are studied. • The ZT can reach as high as 1.87 along yy and 1.6 along zz direction at 800k. • SnSe is an indirect-band material, and SOC has little effect on the band structure. • The high ZT can be attributed to the intrinsically ultralow thermal conductivity. - Abstract: A first-principles study and Boltzmann transport theory have been performed to evaluate the electronic structure and thermoelectric properties of SnSe compound. The energy band structure and density of states are studied in detail. The electronic transport coefficients are then calculated as a function of chemical potential or temperature within the assumption of the constant relaxation time. The figure of merit ZT is obtained with the use of calculated thermoelectric properties and can reach as high as 1.87 along yy and 1.6 along zz direction at 800 K. Our theoretical result agrees well with previous experimental data

  18. Nitrate radicals and biogenic volatile organic compounds ...

    Science.gov (United States)

    Oxidation of biogenic volatile organic compounds (BVOC) by the nitrate radical (NO3) represents one of the important interactions between anthropogenic emissions related to combustion and natural emissions from the biosphere. This interaction has been recognized for more than 3 decades, during which time a large body of research has emerged from laboratory, field, and modeling studies. NO3-BVOC reactions influence air quality, climate and visibility through regional and global budgets for reactive nitrogen (particularly organic nitrates), ozone, and organic aerosol. Despite its long history of research and the significance of this topic in atmospheric chemistry, a number of important uncertainties remain. These include an incomplete understanding of the rates, mechanisms, and organic aerosol yields for NO3-BVOC reactions, lack of constraints on the role of heterogeneous oxidative processes associated with the NO3 radical, the difficulty of characterizing the spatial distributions of BVOC and NO3 within the poorly mixed nocturnal atmosphere, and the challenge of constructing appropriate boundary layer schemes and non-photochemical mechanisms for use in state-of-the-art chemical transport and chemistry–climate models. This review is the result of a workshop of the same title held at the Georgia Institute of Technology in June 2015. The first half of the review summarizes the current literature on NO3-BVOC chemistry, with a particular focus on recent advances in

  19. Synthesis and Materials Design for Heteroanion Compounds

    Science.gov (United States)

    Machida, K.

    2011-02-01

    Oxynitride phosphors, SrSi2O2N2:Eu2+ were synthesized through a conventional solid state reaction between Sr2SiO4:Eu2+ precursor and Si3N4 by using NH4Cl flux, and their luminescence properties were characterized from a viewpoint of the ionic and covalent bond natures as the "heteroanion compound" containing O2- and N3- anions. The structural framework of host lattice is constructed by covalently bonded layers of SiON3 units, suggesting that the rearrangement of O2- and N3- anions effectively takes place between isolated SiO44-anions of the Sr2SiO4:Eu2+ precursor and SiN4 units of the Si3N4 raw material. Furthermore, the layered structure consisting of (Si2O2N2)n2n- polyanions as tightly connected by Si-N-Si covalent bonds depresses the lattice vibration of Sr(Eu)-O or Si-O bond, so that the temperature quenching effect is lowered to give the intense emission for LED-based illumination lamps.

  20. Synthesis and Materials Design for Heteroanion Compounds

    International Nuclear Information System (INIS)

    Machida, K

    2011-01-01

    Oxynitride phosphors, SrSi 2 O 2 N 2 :Eu 2+ were synthesized through a conventional solid state reaction between Sr 2 SiO 4 :Eu 2+ precursor and Si 3 N 4 by using NH 4 Cl flux, and their luminescence properties were characterized from a viewpoint of the ionic and covalent bond natures as the 'heteroanion compound' containing O 2- and N 3- anions. The structural framework of host lattice is constructed by covalently bonded layers of SiON 3 units, suggesting that the rearrangement of O 2- and N 3- anions effectively takes place between isolated SiO4 4- anions of the Sr 2 SiO 4 :Eu 2+ precursor and SiN 4 units of the Si 3 N 4 raw material. Furthermore, the layered structure consisting of (Si 2 O 2 N 2 )n 2n- polyanions as tightly connected by Si-N-Si covalent bonds depresses the lattice vibration of Sr(Eu)-O or Si-O bond, so that the temperature quenching effect is lowered to give the intense emission for LED-based illumination lamps.

  1. The content of compound conditioning.

    Science.gov (United States)

    Harris, Justin A; Andrew, Benjamin J; Livesey, Evan J

    2012-04-01

    In three experiments using Pavlovian conditioning of magazine approach, rats were trained with a compound stimulus, AB, and were concurrently trained with stimulus B on its own. The reinforcement rate of B, rB, was either 1/2, 2/3, or 2/5 of rAB. After extended training, the conditioning strength of A was assessed using probe trials in which A was presented alone. Responding during A was compared with that during AB, B, and a third stimulus, C, for which rC = rAB - rB. In each experiment, the rats' response rate during A was almost identical to that during C (and during B, when rB = 1/2rAB). This suggests that, during AB conditioning, the rats had learned about rA as being equal to [rAB - rB], and implies that the content of their learning was a linear function of r. The findings provide strong support for rate-based models of conditioning (e.g., Gallistel & Gibbon, 2000). They are also consistent with the associative account of learning defined in the Rescorla and Wagner (1972) model, but only if the learning rate during reinforcement equals that during nonreinforcement. (c) 2012 APA, all rights reserved.

  2. Properties of tritium and its compounds

    International Nuclear Information System (INIS)

    Belovodskij, L.F.; Gaevoj, V.K.; Grishmanovskij, V.I.

    1985-01-01

    Ways of tritium preparation and different aspects of its application are considered. Physicochemical properties of this isotope and some compounds of it - tritium oxides, lithium, titanium, zirconium, uranium tritides, tritium organic compounds - are discussed. In particular, diffusion of tritium and its oxide through different materials, tritium oxidation processes, decomposition of tritium-containing compounds under the action of self-radiation are considered. Main radiobiological tritium properties are described

  3. Complex fragment emission from hot compound nuclei

    International Nuclear Information System (INIS)

    Moretto, L.G.

    1986-03-01

    The experimental evidence for compound nucleus emission of complex fragments at low energies is used to interpret the emission of the same fragments at higher energies. The resulting experimental picture is that of highly excited compound nuclei formed in incomplete fusion processes which decay statistically. In particular, complex fragments appear to be produced mostly through compound nucleus decay. In the appendix a geometric-kinematic theory for incomplete fusion and the associated momentum transfer is outlined. 10 refs., 19 figs

  4. Antibacterial Compounds from Red Seaweeds (Rhodophyta)

    OpenAIRE

    Noer Kasanah; Triyanto Triyanto; Drajad Sarwo Seto; Windi Amelia; Alim Isnansetyo

    2015-01-01

    Seaweeds produce great variety of metabolites benefit for human. Red seaweeds (Rhodophyta) are well known as producer of phycocolloids such agar, agarose, carragenan and great variety of secondary metabolites. This review discusses the red algal secondary metabolites with antibacterial activity. The chemical constituents of red algae are steroid, terpenoid, acetogenin and dominated by halogenated compounds mainly brominated compounds. Novel compounds with intriguing skeleton are also reported...

  5. Nitrogen compounds behavior under irradiation environment

    International Nuclear Information System (INIS)

    Ichikawa, Nagayoshi; Takagi, Junichi; Yotsuyanagi, Tadasu

    1991-01-01

    Laboratory experiments were performed to evaluate nitrogen compounds behavior in liquid phase under irradiation environments. Nitrogen compounds take a chemical form of ammonium ion under reducing condition by gamma irradiation, whereas ammonium ions are rather stable even under oxidizing conditions. Key reactions were pointed out and their reaction rate constants and activation energies were estimated through computer code simulation. A reaction scheme for nitrogen compounds including protonate reaction was proposed. (author)

  6. Identificação dos constituintes químicos da fração volátil da Calendula officinalis produzida no Paraná Chemical compounds of the Calendula officinalis volatile fraction produced in the Paraná State, Brazil

    Directory of Open Access Journals (Sweden)

    Zilda Cristiani Gazim

    2007-03-01

    Full Text Available A Calendula officinalis L., pertence à família Asteraceae, é originária da Europa e está aclimatada na região Sul do Brasil, onde vem crescendo o seu cultivo comercial para fins farmacêuticos e cosméticos. Suas inúmeras propriedades terapêuticas entre as quais antiinflamatória, cicatrizante e anti-séptica, justificam a grande procura desta planta pela população. O presente trabalho compara a composição química da fração volátil da cultura de calêndula aclimatada na região Noroeste do Paraná, com os dados da literatura da cultura na França. As substancias químicas majoritários identificadas por cromatografia gasosa acoplada à espectrometria de massas (CG/MS, nas duas culturas, foram sesquiterpenos hidrocarbonetos e álcoois; d-cadineno (22,53% e a-cadinol (20,40% para a cultura de calêndula produzida na região Noroeste do Paraná, Brasil, e d-cadineno (12,10% e a-cadinol (25,50% distinto do registrado para a cultura de calêndula produzida na região de Massif Central, França. Adicionalmente, para garantir a qualidade da planta na comercialização, foram realizadas análises físico-químicas (perda por secagem = 85,0% e perda por dessecação = 11,6%.Calendula officinalis L., belongs to the Asteraceae family from Europe and is acclimatized in the south region of Brazil where its commercial cultivation has been increasing for pharmaceutical and cosmetic purposes. Its several therapeutic properties (anti-inflammatory, healing, antiseptic justify the great demand for this plant by the population. The present study compares the chemical composition of the volatile fraction of two cultivations of calendula, one from Massif Central, France, and the other acclimatized in the Northeast region of Paraná State, Brazil. Most compounds identified by Gas Chromatography-mass spectrometry (GC-MS in both cultivations included the sesquiterpenes hydrocarbons and alcohols; d-cadinene (22.53% and á-cadinol (20.40% for the

  7. Methodology for uranium compounds characterization applied to biomedical monitoring

    International Nuclear Information System (INIS)

    Ansoborlo, E.; Chalabreysse, J.; Henge-Napoli, M.H.; Pujol, E.

    1991-01-01

    Chronic exposure and accidental contamination to uranium compounds in the nuclear industry, led the authors to develop a methodology in order to characterize those compounds applied to biomedical monitoring. Such a methodology, based on the recommendation of the ICRP and the assessment of Annual Limit on Intake (ALI) values, involves two main steps: (1) The characterization of the industrial compound, i.e. its physico-chemical properties like density (g cm -3 ), specific area (m 2 g -1 ), x-ray spectrum (crystalline form), solid infrared spectrum (wavelength and bounds), mass spectrometry (isotopic composition), and particle size distribution including measurement of the Activity Median Aerodynamic Diameter (AMAD). They'll specially study aging and hydration state of some compounds. (2) The study of in vitro solubility in several biochemical medium like bicarbonates, Basal Medium Eagle (BME) used in cellular culture, Gamble solvent, which is a serum simulant, with oxygen bubbling, and Gamble added with superoxide anions O2 - . Those different mediums allow one to understand the dissolution mechanisms (oxidation, chelating effects...) and to give ICRP classification D, W, or Y. Those two steps are essential to assess a biomedical monitoring either in routine or accidental exposure, and to calculate the ALI. Results on UO3, UF4 and U02 in the French uranium industry are given

  8. Chemical compound-based direct reprogramming for future clinical applications

    Science.gov (United States)

    Takeda, Yukimasa; Harada, Yoshinori; Yoshikawa, Toshikazu; Dai, Ping

    2018-01-01

    Recent studies have revealed that a combination of chemical compounds enables direct reprogramming from one somatic cell type into another without the use of transgenes by regulating cellular signaling pathways and epigenetic modifications. The generation of induced pluripotent stem (iPS) cells generally requires virus vector-mediated expression of multiple transcription factors, which might disrupt genomic integrity and proper cell functions. The direct reprogramming is a promising alternative to rapidly prepare different cell types by bypassing the pluripotent state. Because the strategy also depends on forced expression of exogenous lineage-specific transcription factors, the direct reprogramming in a chemical compound-based manner is an ideal approach to further reduce the risk for tumorigenesis. So far, a number of reported research efforts have revealed that combinations of chemical compounds and cell-type specific medium transdifferentiate somatic cells into desired cell types including neuronal cells, glial cells, neural stem cells, brown adipocytes, cardiomyocytes, somatic progenitor cells, and pluripotent stem cells. These desired cells rapidly converted from patient-derived autologous fibroblasts can be applied for their own transplantation therapy to avoid immune rejection. However, complete chemical compound-induced conversions remain challenging particularly in adult human-derived fibroblasts compared with mouse embryonic fibroblasts (MEFs). This review summarizes up-to-date progress in each specific cell type and discusses prospects for future clinical application toward cell transplantation therapy. PMID:29739872

  9. Technetium compounds and their field of application

    International Nuclear Information System (INIS)

    Zaitseva, L.L.; Velichko, A.V.; Vinogradov, I.V.

    1988-02-01

    This chapter reviews the different applications of technetium and technetium compounds in catalysis, corrosion inhibition, superconductivity of technetium alloys, diagnostic techniques, radioisotope generators and radiopharmaceuticals. 649 refs [fr

  10. Diazo Compounds: Versatile Tools for Chemical Biology.

    Science.gov (United States)

    Mix, Kalie A; Aronoff, Matthew R; Raines, Ronald T

    2016-12-16

    Diazo groups have broad and tunable reactivity. That and other attributes endow diazo compounds with the potential to be valuable reagents for chemical biologists. The presence of diazo groups in natural products underscores their metabolic stability and anticipates their utility in a biological context. The chemoselectivity of diazo groups, even in the presence of azido groups, presents many opportunities. Already, diazo compounds have served as chemical probes and elicited novel modifications of proteins and nucleic acids. Here, we review advances that have facilitated the chemical synthesis of diazo compounds, and we highlight applications of diazo compounds in the detection and modification of biomolecules.

  11. Molecular mechanism of radiosensitization by nitro compounds

    International Nuclear Information System (INIS)

    Kagiya, T.; Wada, T.; Nishimoto, S.I.

    1984-01-01

    In this chapter a molecular mechanism of radiosensitization by electron-affinic nitro compounds is discussed, mainly on the basis of the results of the radiation-induced chemical studies of DNA-related compounds in aqueous solutions. In Section II the general aspects of the radiation chemistry of organic compounds in the absence and presence of oxygen in aqueous solution are shown in order to demonstrate characteristic differences between radiation chemical reactions in hypoxic and oxic cells. The effects of nitro compounds on the radiolysis yields of DNA-related compounds in aqueous solutions are described in Section III. In Section IV the retardation effects of misonidazole on the radiation chemical processes of DNA-related compounds are shown along with the reaction characteristics of misonidazole with hydroxyl radical ( . OH) and hydrated electron (e/sub aq/-bar) produced by the radiolysis of water. The promotion of radiation-induced oxidation of thymine into thymine glycol (TG) by nitro radiosensitizers in deoxygenated solution and the relations between the activity of nitro compound for the thymine glycol formation and the enhancement activity measured in vitro are described in Section V. Finally, the protection against radiation-induced damage of thymine by a sulfhydryl compound of glutathione and the ability of electron-affinic compounds to decompose the intracellular radioprotector are described in Section VI

  12. Microbial growth on C1 compounds: proceedings

    International Nuclear Information System (INIS)

    Crawford, R.L.; Hanson, R.S.

    1984-01-01

    This book contains individual papers prepared for the 4th International Symposium on Microbial Growth on One Carbon Compounds. Individual reports were abstracted and indexed for EDB. Topics presented were in the areas of the physiology and biochemistry of autotraps, physiology and biochemistry of methylotrophs and methanotrops, physiology and biochemistry of methanogens, genetics of microbes that use C 1 compounds, taxonomy and ecology of microbes tht grow on C 1 compounds, applied aspects of microbes that grow on C 1 compounds, and new directions in C 1 metabolism. (DT)

  13. Potent antifouling compounds produced by marine Streptomyces

    KAUST Repository

    Xu, Ying

    2010-02-01

    Biofouling causes huge economic loss and a recent global ban on organotin compounds as antifouling agents has increased the need for safe and effective antifouling compounds. Five structurally similar compounds were isolated from the crude extract of a marine Streptomyces strain obtained from deep-sea sediments. Antifouling activities of these five compounds and four other structurally-related compounds isolated from a North Sea Streptomyces strain against major fouling organisms were compared to probe structure-activity relationships of compounds. The functional moiety responsible for antifouling activity lies in the 2-furanone ring and that the lipophilicity of compounds substantially affects their antifouling activities. Based on these findings, a compound with a straight alkyl side-chain was synthesized and proved itself as a very effective non-toxic, anti-larval settlement agent against three major fouling organisms. The strong antifouling activity, relatively low toxicity, and simple structures of these compounds make them promising candidates for new antifouling additives. © 2009 Elsevier Ltd. All rights reserved.

  14. Neurotoxicity of fragrance compounds: A review.

    Science.gov (United States)

    Pinkas, Adi; Gonçalves, Cinara Ludvig; Aschner, Michael

    2017-10-01

    Fragrance compounds are chemicals belonging to one of several families, which are used frequently and globally in cosmetics, household products, foods and beverages. A complete list of such compounds is rarely found on the ingredients-list of such products, as "fragrance mixtures" are defined as "trade secrets" and thus protected by law. While some information regarding the general toxicity of some of these compounds is available, their neurotoxicity is known to a lesser extent. Here, we discuss the prevalence and neurotoxicity of fragrance compounds belonging to the three most common groups: phthalates, synthetic musks and chemical sensitizers. Copyright © 2017 Elsevier Inc. All rights reserved.

  15. Four new compounds from Imperata cylindrica.

    Science.gov (United States)

    Liu, Xuan; Zhang, Bin-Feng; Yang, Li; Chou, Gui-Xin; Wang, Zheng-Tao

    2014-04-01

    Four new compounds, impecylone (1), deacetylimpecyloside (2), seguinoside K 4-methylether (3) and impecylenolide (4), were isolated from Imperata cylindrica along with two known compounds, impecyloside (5) and seguinoside K (6). Their structures were elucidated mainly by spectroscopic analyses including 1D- and 2D-NMR techniques, and the absolute configuration of 1 was confirmed by X-ray diffraction analysis. In calcium assay, the result indicated that compounds 1, 2, 4 and 5 cannot obviously inhibit the calcium peak value compared with the negative control, and suggested that the four compounds could not have anti-inflammatory activity.

  16. The Stability of Bioactive Compounds in Spaceflight Foods

    Science.gov (United States)

    Cooper, M. R.; Douglas, G. L.

    2017-01-01

    The status and stability of bioactive compounds in the processed and shelf-stable spaceflight food system have not previously been investigated though the presence of such compounds in aged space foods could have health significance for crews on long duration exploration missions. Over forty foods - either existing International Space Station (ISS) food provisioning items, newly developed foods for spaceflight, or commercially-available ready-to-eat foods - that were predicted to have a relatively high concentrations of one or more bioactive compounds (lycopene, lutein, omega-3 fatty acids, phenolics, sterols, and/or flavonoids) were selected for the study. Food samples were sent overnight to the Food Composition Laboratory of the Linus Pauling Institute at Oregon State University (Corvallis, OR) for bioactive compound analysis. Three packages of each product were blended together for the analysis to reduce package-to-package variability. All ISS food items and commercial foods were analyzed initially and after 12 and 24 months of 21degC storage. Food development occurred in a staggered fashion, so data collection for the newly developed foods continues. Lastly, sensory evaluation and additional temperature storage data (4degC, 35degC) for select foods were collected to establish additional stability parameters. Efficacious concentrations of lycopene, lutein, and omega-3 fatty acids were measured in limited spaceflight foods; two grams of sterols a day may be difficult to achieve with the current space diet. Total polyphenol delivery appears stable and adequate, but individual phenolic compounds vary in stability and were not specifically evaluated in this study. The data suggests that some bioactive compounds, like lycopene and lutein, degrade and then plateau at some equilibrium concentration. The anthocyanin stability appears to be related to storage temperature and food matrix, and lutein stability in leafy vegetables may be impacted by storage temperature

  17. History of sterile compounding in U.S. hospitals: learning from the tragic lessons of the past.

    Science.gov (United States)

    Myers, Charles E

    2013-08-15

    The evolution of sterile compounding in the context of hospital patient care, the evolution of related technology, past incidents of morbidity and mortality associated with preparations compounded in various settings, and efforts over the years to improve compounding practices are reviewed. Tightened United States Pharmacopeial Convention standards (since 2004) for sterile compounding made it difficult for hospitals to achieve all of the sterile compounding necessary for patient care. Shortages of manufactured injections added to the need for compounding. Non-hospital-based compounding pharmacies increased sterile compounding to meet the needs. Gaps in federal and state laws and regulations about compounding pharmacies led to deficiencies in their regulation. Lapses in sterility led to injuries and deaths. Perspectives offered include potential actions, including changes in practitioner education, better surveillance of sterile compounding, regulatory reforms, reexamination of the causes of drug shortages, and the development of new technologies. Over the years, there have been numerous exhortations for voluntary better performance in sterile compounding. In addition, professional leadership has been vigorous and extensive in the form of guidance, publications, education, enforceable standards, and development of various associations and organizations dealing with safe compounding practices. Yet problems continue to occur. We must engage in diligent learning from the injuries and tragedies that have occurred. Assuming that we are already doing all we can to avoid problems would be an abdication of the professional mission of pharmacists. It would be wrong thinking to assume that the recent problems in large-scale compounding pharmacies are the only problems that warrant attention. It is time for a systematic assessment of the nature and the dimensions of the problems in every type of setting where sterile compounding occurs. It also is time for some innovative

  18. Utilization and Costs of Compounded Medications for Commercially Insured Patients, 2012-2013.

    Science.gov (United States)

    McPherson, Timothy; Fontane, Patrick; Iyengar, Reethi; Henderson, Rochelle

    2016-02-01

    Although compounding has a long-standing tradition in clinical practice, insurers and pharmacy benefit managers have instituted policies to decrease claims for compounded medications, citing questions about their safety, efficacy, high costs, and lack of FDA approval. There are no reliable published data on the extent of compounding by community pharmacists nor on the fraction of patients who use compounded medications. Prior research suggests that compounded medications represent a relatively small proportion of prescription medications, but those surveys were limited by small sample sizes, subjective data collection methods, and low response rates. To determine the number of claims for compounded medications on a per user per year (PUPY) basis and the average ingredient cost of these claims among commercially insured patients in the United States for 2012 and 2013. This study used prescription claims data from a nationally representative sample of commercially insured members whose pharmacy benefits were managed by a large pharmacy benefit management company. A retrospective claims analysis was conducted from January 1, 2012, through December 31, 2013. Annualized prevalence, cost, and utilization estimates were drawn from the data. All prescription claims were adjusted to 30-day equivalents. Data-mining techniques (association rule mining) were employed in order to identify the most commonly combined ingredients in compounded medications. The prevalence of compound users was 1.1% (245,285) of eligible members in 2012 and 1.4% (323,501) in 2013, an increase of 27.3%. Approximately 66% of compound users were female, and the average age of a compound user was approximately 42 years throughout the study period. The geographic distribution of compound user prevalence was consistent across the United States. Compound users' prescription claims increased 36.6% from 2012 to 2013, from approximately 7.1 million to approximately 9.7 million prescriptions. The number of

  19. Compound Warfare: That Fatal Knot

    Science.gov (United States)

    2002-08-01

    this contact—the contact, incidentally, was a two-way street, with small pox , chicken pox , typhoid, measles, mumps, and other viral diseases killing...and Indian societies in Mexico and the Southwest quickly adopted the hardy and versatile animals into their local culture. By the end of the... Mexico and being admitted as the twenty-eighth state of the Union in 1845. Some of the great Indian heroes—Geronimo (born 1829) and Cochise (born ca

  20. Prioritizing pesticide compounds for analytical methods development

    Science.gov (United States)

    Norman, Julia E.; Kuivila, Kathryn; Nowell, Lisa H.

    2012-01-01

    The U.S. Geological Survey (USGS) has a periodic need to re-evaluate pesticide compounds in terms of priorities for inclusion in monitoring and studies and, thus, must also assess the current analytical capabilities for pesticide detection. To meet this need, a strategy has been developed to prioritize pesticides and degradates for analytical methods development. Screening procedures were developed to separately prioritize pesticide compounds in water and sediment. The procedures evaluate pesticide compounds in existing USGS analytical methods for water and sediment and compounds for which recent agricultural-use information was available. Measured occurrence (detection frequency and concentrations) in water and sediment, predicted concentrations in water and predicted likelihood of occurrence in sediment, potential toxicity to aquatic life or humans, and priorities of other agencies or organizations, regulatory or otherwise, were considered. Several existing strategies for prioritizing chemicals for various purposes were reviewed, including those that identify and prioritize persistent, bioaccumulative, and toxic compounds, and those that determine candidates for future regulation of drinking-water contaminants. The systematic procedures developed and used in this study rely on concepts common to many previously established strategies. The evaluation of pesticide compounds resulted in the classification of compounds into three groups: Tier 1 for high priority compounds, Tier 2 for moderate priority compounds, and Tier 3 for low priority compounds. For water, a total of 247 pesticide compounds were classified as Tier 1 and, thus, are high priority for inclusion in analytical methods for monitoring and studies. Of these, about three-quarters are included in some USGS analytical method; however, many of these compounds are included on research methods that are expensive and for which there are few data on environmental samples. The remaining quarter of Tier 1

  1. Simulations of charge transport in organic compounds

    Energy Technology Data Exchange (ETDEWEB)

    Vehoff, Thorsten

    2010-05-05

    features: first, the shifted cofacial alignment of its molecules, and second, the high center of mass vibrational frequency. In comparsion to SCD, only KMC based on Marcus rates is capable of describing neighbors with low coupling and of taking static disorder into account three-dimensionally. SCD, despite its one-dimensionality, is valuable for crystals with strong coupling and little disorder. It also allows correct treatment of dynamical effects, such as intermolecular vibrations of the molecules. Rate equations are incapable of this, because simulations are performed on static snapshots. We have thus shown strengths and weaknesses of two state of the art models used to study charge transport in organic compounds, partially developed a program to compute and visualize transfer integral distributions and other charge transport properties, and found structure-mobility relations for several promising organic semiconductors. (orig.)

  2. Medicinal Uses of Inorganic Compounds - 2

    Indian Academy of Sciences (India)

    In the first part of this article, we described medicinal uses of inorganic compounds relating to cancer care, infection and diabetic control, neurological, cardiovascular and in- flammatory diseases. This article contains further infor- mation on the medicinal uses of inorganic compounds as therapeutic and diagnostic in ...

  3. Lattice anisotropy in uranium ternary compounds

    DEFF Research Database (Denmark)

    Maskova, S.; Adamska, A.M.; Havela, L.

    2012-01-01

    Several U-based intermetallic compounds (UCoGe, UNiGe with the TiNiSi structure type and UNiAl with the ZrNiAl structure type) and their hydrides were studied from the point of view of compressibility and thermal expansion. Confronted with existing data for the compounds with the ZrNiAl structure...

  4. Bioautography indicates the multiplicity of antifungal compounds ...

    African Journals Online (AJOL)

    AJB SERVER

    2006-09-18

    Sep 18, 2006 ... 199 active compounds, followed by methanol (189) and hexane (73). This difference is apparently not related to the sectional division of the species (Carr, 1988). Comparison of eluent systems. Lastly we determined which TLC solvent system separa- ted the highest number of active compounds (Table 27).

  5. Compound sums and their applications in finance

    NARCIS (Netherlands)

    R. Helmers (Roelof); B. Tarigan

    2003-01-01

    textabstractCompound sums arise frequently in insurance (total claim size in a portfolio) and in accountancy (total error amount in audit populations). As the normal approximation for compound sums usually performs very badly, one may look for better methods for approximating the distribution of a

  6. Preparation and properties of compound Arnebiae radix ...

    African Journals Online (AJOL)

    The aim of this study was to prepare a compound Arnebiae radix microemulsion gel for transdermal delivery system and evaluate its characteristics. Materials and Methods: Based on ... previous used formulations. Keywords: Compound Arnebiae radix oil, microemulsion gel, pseudo-ternary phase diagram, characterization ...

  7. Health promoting compounds in vegetables and fruits:

    DEFF Research Database (Denmark)

    Brandt, K.; Christensen, L.P.; Hansen-Møller, J.

    2004-01-01

    Vegetables contain unknown compounds with important health promoting effect. The described project defined and tested a two-step screening procedure for identification of such compounds. Step 1 is initial screening according to three criteria: 1.1, chemically reactive functional groups; 1...

  8. Improvements in or relating to compounds

    International Nuclear Information System (INIS)

    Woodhead, J.L.

    1983-01-01

    The invention provides a process for the preparation of a dispersible product containing a cerium compound which comprises heating a cerium (IV) oxide hydrate in the presence of a salt to cause deaggregation of aggregated crystallites in the cerium (IV) oxide hydrate and produce a dispersible product containing a cerium compound. (author)

  9. Organic halogen compounds in the environment

    International Nuclear Information System (INIS)

    1979-07-01

    There are 20 research reports on selected problems concerning the analysis, the occurence, and the behaviour of a wide spectrum of organic halogen compounds. The work was carried out in the framework of the project 'Organic Halogen Compounds in the Environment', financed by the BMFT, between 1975 and 1978. (orig.) [de

  10. Extraction, Isolation And Characterization Of Bioactive Compounds ...

    African Journals Online (AJOL)

    Natural products from medicinal plants, either as pure compounds or as standardized extracts, provide unlimited opportunities for new drug leads because of the ... The analysis of bioactive compounds present in the plant extracts involving the applications of common phytochemical screening assays, chromatographic ...

  11. Lichens as source of versatile bioactive compounds

    Directory of Open Access Journals (Sweden)

    Mitrović, T.

    2011-09-01

    Full Text Available Lichens represent unique symbiosis of fungi (mycobionts and algae (photobionts. Living in extreme conditions they developed various compounds to survive. Many of these original compounds have proven biological activities (antibiotic, antimycotic, antiviral, antitumor, antioxidant, etc . This paper is synthesis of currently known data about lichens extracts and their potential use in pharmaceutics and medicine.

  12. Bis(1,3-dithiole) Compounds

    DEFF Research Database (Denmark)

    Andersen, Jan Rud; Engler, E. M.; Green, D. C.

    1977-01-01

    There is described the preparation of bis-1,3-dithiole compounds (I) which are key synthetic precursors for the preparation of new polymeric metal bis(dithiolene) (i.e., II) and tetrathiafulvalene compounds (i.e., III): (Image Omitted)...

  13. Sulfamides in the synthesis of heterocyclic compounds

    International Nuclear Information System (INIS)

    Gazieva, Galina A; Kravchenko, Angelina N; Lebedev, Oleg V

    2000-01-01

    A comparative analysis of the structures and physicochemical properties of sulfamides and ureas has been performed. New procedures for the synthesis of heterocyclic compounds containing the sulfamide fragment are surveyed and the properties of the resulting compounds are described. The bibliography includes 112 references.

  14. Bioactive compounds in whole grain wheat

    NARCIS (Netherlands)

    Mateo Anson, N.

    2010-01-01

    Bread can be healthier! Consuming whole-grain foods can prevent cardiovascular diseases, type-2 diabetes and metabolic syndrome. This is due to bioactive compounds in whole grain, such as antioxidants and anti-inflammatory compounds. We found that the different fractions of a wheat grain vary much

  15. Pickpocket compounds from Latin to Romance

    NARCIS (Netherlands)

    Nielsen Whitehead, Benedicte

    2012-01-01

    This thesis discusses the development in Proto–Indo–European, Latin and Romance of a word–formation pattern which the most adequate terminology in use dubs ‘verbal government compounds with a governing first member’; I use the shorthand ‘pickpocket compounds’. The first member of such compounds

  16. Semantics vs Pragmatics of a Compound Word

    Science.gov (United States)

    Smirnova, Elena A.; Biktemirova, Ella I.; Davletbaeva, Diana N.

    2016-01-01

    This paper is devoted to the study of correlation between semantic and pragmatic potential of a compound word, which functions in informal speech, and the mechanisms of secondary nomination, which realizes the potential of semantic-pragmatic features of colloquial compounds. The relevance and the choice of the research question is based on the…

  17. Antimicrobial susceptibility assessment of compound from ...

    African Journals Online (AJOL)

    Ethyl acetate extract of the culture filtrate of Aspergillus fumigatus on chromatographic analysis has led to the isolation of the compound, AF-1 which exhibited a significant in vitro antimicrobial activity against the tested pathogenic microorganism. The structure of the isolated compound, AF-1 was identified as ...

  18. Perfluorinated Compounds: Emerging POPs with Potential Immunotoxicity

    Science.gov (United States)

    Perfluorinated compounds (PFCs) have been recognized as an important class of environmental contaminants commonly detected in blood samples of both wildlife and humans. These compounds have been in use for more than 60 years as surface treatment chemicals, polymerization aids, an...

  19. Intercalated compounds of niobium and tantalum dicalcogenides

    International Nuclear Information System (INIS)

    Wypych, F.

    1988-01-01

    The synthesis of niobium and tantalum lamellar compounds and its intercalated derivatives is described. The intercalated compounds with lithium, with alkaline metal and with metals of the first-row transition are studied, characterized by X-ray diffraction. (C.G.C.) [pt

  20. Relation of forms of compounds of heavy natural radionuclides in soils

    International Nuclear Information System (INIS)

    Arkhipov, N.P.; Fedorova, T.A.; Fevraleva, L.T.

    1986-01-01

    Results of studying forms of 238 U, 232 Th, 226 Ra, 210 Po, 210 Pb compounds in nonfertilized soils (under control) and in soils fertilized with ammophos containing increased amount of the mentioned radionuclides are given. The study was performed in main-year field experiment with sandy ashen gray soil and leached chernozemic soil. It is shown that a main share of radionuclides in nonfertilized soils is presened with tightly bound compounds and compounds bound with sesquioxide compounds. After 5 years labelled natural radionuclides introduced into the ammophos composition are in a more mobile state as compared with radionuclides in nonfertilized soil and they are presented with acid-soluble and bound with humus compound forms. Systematical application of fertilizers during along-term period results in the concentration increase of heavy natural radionuclides in soil

  1. Virtual screening of compound libraries.

    Science.gov (United States)

    Cerqueira, Nuno M F S A; Sousa, Sérgio F; Fernandes, Pedro A; Ramos, Maria João

    2009-01-01

    During the last decade, Virtual Screening (VS) has definitively established itself as an important part of the drug discovery and development process. VS involves the selection of likely drug candidates from large libraries of chemical structures by using computational methodologies, but the generic definition of VS encompasses many different methodologies. This chapter provides an introduction to the field by reviewing a variety of important aspects, including the different types of virtual screening methods, and the several steps required for a successful virtual screening campaign within a state-of-the-art approach, from target selection to postfilter application. This analysis is further complemented with a small collection important VS success stories.

  2. Investigation of transport properties of FeTe compound

    Science.gov (United States)

    Lodhi, Pavitra Devi; Solanki, Neha; Choudhary, K. K.; Kaurav, Netram

    2018-05-01

    Transport properties of FeTe parent compound has been investigated by measurements of electrical resistivity, magnetic susceptibility and Seebeck coefficient. The sample was synthesized through a standard solid state reaction route via vacuum encapsulation and characterized by x-ray diffraction, which indicated a tetragonal phase with space group P4/nmm. The parent FeTe compound does not exhibit superconductivity but shows an anomaly in the resistivity measurement at around 67 K, which corresponds to a structural phase transition along with in the vicinity of a magnetic phase transition. In the low temperature regime, Seebeck coefficient, S(T), exhibited an anomalous dip feature and negative throughout the temperature range, indicating electron-like charge carrier conduction mechanism.

  3. Electronic Structure of GdCuGe Intermetallic Compound

    Science.gov (United States)

    Lukoyanov, A. V.; Knyazev, Yu. V.; Kuz'min, Yu. I.

    2018-04-01

    The electronic structure of GdCuGe intermetallic compound has been studied. Spin-polarized energy spectrum calculations have been performed by the band method with allowance for strong electron correlations in the 4 f-shell of gadolinium ions. Antiferromagnetic ordering of GdCuGe at low temperatures has been obtained in a theoretical calculation, with the value of the effective magnetic moment of gadolinium ions reproduced in fair agreement with experimental data. The electronic density of states has been analyzed. An optical conductivity spectrum has been calculated for GdCuGe; it reveals specific features that are analogous to the ones discovered previously in the GdCuSi compound with a similar hexagonal structure.

  4. A spin echo study of A15 intermetallic compounds

    International Nuclear Information System (INIS)

    Schoep, G.K.

    1976-01-01

    This thesis mainly concerns the measurement of spin-lattice relaxation times in intermetallic compounds of the bcc lattice structure, having the formula V 3 X (C = Pt, Ir, Os, Pd, Rh, Ni, Co, Au). When, in a spin echo experiment, a two-pulse sequence was applied, several quadrupolar echoes were observed. Special attention is given to the 'forbidden' echoes (absol.(Δm')GT1) in V 3 Au and V 3 Co. In relation to the V 3 X compounds, several characteristics are discussed including temperature dependence and concentration dependence of spin relaxation times, superconductivity and the importance of d-state electrons in determination of the spin relaxation times. Finally, the above characteristics were determined for 6 different samples of the vanadium-gold alloy, V 3 Au, specifically

  5. Safe handling of cytotoxic compounds in a biopharmaceutical environment.

    Science.gov (United States)

    Hensgen, Miriam I; Stump, Bernhard

    2013-01-01

    Handling cytotoxic drugs such as antibody-drug conjugates (ADCs) in a biopharmaceutical environment represents a challenge based on the potency of the compounds. These derivatives are dangerous to humans if they accidentally get in contact with the skin, are inhaled, or are ingested, either as pure compounds in their solid state or as a solution dissolved in a co-solvent. Any contamination of people involved in the manufacturing process has to be avoided. On the other hand, biopharmaceuticals need to be protected simultaneously against any contamination from the manufacturing personnel. Therefore, a tailor-made work environment is mandatory in order to manufacture ADCs. This asks for appropriate technical equipment to keep potential hazardous substances contained. In addition, clearly defined working procedures based on risk assessments as well as proper training for all personnel involved in the manufacturing process are needed to safely handle these highly potent pharmaceuticals.

  6. Likelihood analysis of parity violation in the compound nucleus

    International Nuclear Information System (INIS)

    Bowman, D.; Sharapov, E.

    1993-01-01

    We discuss the determination of the root mean-squared matrix element of the parity-violating interaction between compound-nuclear states using likelihood analysis. We briefly review the relevant features of the statistical model of the compound nucleus and the formalism of likelihood analysis. We then discuss the application of likelihood analysis to data on panty-violating longitudinal asymmetries. The reliability of the extracted value of the matrix element and errors assigned to the matrix element is stressed. We treat the situations where the spins of the p-wave resonances are not known and known using experimental data and Monte Carlo techniques. We conclude that likelihood analysis provides a reliable way to determine M and its confidence interval. We briefly discuss some problems associated with the normalization of the likelihood function

  7. Synthesis, Structure, and Fluorescence of a Novel Cadmium Compound

    Science.gov (United States)

    Yao, Zhong-Liang; Chen, Wen-Tong

    2017-12-01

    A novel cadmium compound, [(CdI3)2(μ2-I)]2(Me2-4,4'-H2bipy)3 (1) (Me = methyl; 4,4'-bipy = 4,4'-bipyridine) with the Me2-4,4'-H2bipy moiety generated in situ, has been prepared through a solvothermal reaction and structurally characterized by X-ray single crystal diffraction analysis. Compound 1 is characterized by an isolated structural motif, consisting of [(CdI3)2(μ2-I)]3- anions and Me2-4,4'-H2bipy2+ cations. The [(CdI3)2(μ2-I)]3- anions and Me2-4,4'-H2bipy2+ cations interconnect together via C-H···I hydrogen-bonding interactions to complete a three-dimensional (3D) supramolecular network. Solid state fluorescent spectrum reveals an emission band in the violet region.

  8. Environmental embrittlement of intermetallic compounds in Fe-Al alloys

    Institute of Scientific and Technical Information of China (English)

    张建民; 张瑞林; S.H.YU; 余瑞璜

    1996-01-01

    First,it is proposed that hydrogen atoms occupy the interstitial sites in Fe3Al and FeAl.Then the environmental embrittlement of intermetallic compounds in Fe-Al alloys is studied in the light of calculated valence electron structures and bond energy of Fe3Al and FeAl containing hydrogen atoms.From the analyses it is found that the states of metal atoms will change,in which more lattice electrons will become covalent electrons to bond with hydrogen atoms when the atomic hydrogen diffuses into the intermetallic compounds in Fe-Al alloys,which will result in the decrease of local metallicity in Fe3Al and FeAl.Meanwhile,it is found that the crystal will easily cleave since solute hydrogen bonds with metal atoms and severely anisotropic bonds form.As a conclusion,these factors result in the environmental embrittlement of Fe3Al and FeAl.

  9. Defying c-Abl signaling circuits through small allosteric compounds

    Directory of Open Access Journals (Sweden)

    Stefania eGonfloni

    2014-11-01

    Full Text Available Many extracellular and intracellular signals promote the c-Abl tyrosine kinase activity. c-Abl in turn triggers a multitude of changes either in protein phosphorylation or in gene expression in the cell. Yet, c-Abl takes part in diverse signaling routes because of several domains linked to its catalytic core. Complex conformational changes turn on and off its kinase activity. These changes affect surface features of the c-Abl kinase and likely its capability to bind actin and/or DNA. Two specific inhibitors (ATP-competitive or allosteric compounds regulate the c-Abl kinase through different mechanisms. NMR studies show that a c-Abl fragment (SH3-SH2-linker-SH1 adopts different conformational states upon binding to each inhibitor. This supports an unconventional use for allosteric compounds to unraveling physiological c-Abl signaling circuits.

  10. Genetic effects of organic mercury compounds

    Energy Technology Data Exchange (ETDEWEB)

    Ramel, C

    1967-01-01

    Organic mercury compounds have a c-mitotic effect on plant cells that cause polyploidi. Studies were performed on Allium root cells. These investigations involved methyl mercury dicyandiamide, methyl mercury hydroxide, and phenyl mercury hydroxide. The lowest concentration necessary for a cytologically observable effect was about 0.05 ppM Hg for the methyl compounds. For the phenyl compound, the value was lower. Experiments were performed on Drosophila melanogaster. The question was whether the mercury would reach the gonads. Experimental data with mercury treated larvae indicated a chromosome disjunction. Data indicated a preferential segregation at the meiotic division might be involved. Experiments are being performed on mice inbred (CBA) in order to investigate teratogenic effects and dominant lethality caused by organic mercury compounds. The mutagenic effects of these compounds are studied on Neurospora Drosophila. No conclusive data is now available.

  11. Integrated modelling of two xenobiotic organic compounds

    DEFF Research Database (Denmark)

    Lindblom, Erik Ulfson; Gernaey, K.V.; Henze, Mogens

    2006-01-01

    This paper presents a dynamic mathematical model that describes the fate and transport of two selected xenobiotic organic compounds (XOCs) in a simplified representation. of an integrated urban wastewater system. A simulation study, where the xenobiotics bisphenol A and pyrene are used as reference...... compounds, is carried out. Sorption and specific biological degradation processes are integrated with standardised water process models to model the fate of both compounds. Simulated mass flows of the two compounds during one dry weather day and one wet weather day are compared for realistic influent flow...... rate and concentration profiles. The wet weather day induces resuspension of stored sediments, which increases the pollutant load on the downstream system. The potential of the model to elucidate important phenomena related to origin and fate of the model compounds is demonstrated....

  12. New uranium compounds preparation and use as catalyst for hydrogenation of non-saturated organic compounds

    International Nuclear Information System (INIS)

    Arnaudet, L.; Folcher, G.

    1985-01-01

    Preparation of new organic uranium compounds and their use as catalysts for hydrogenation of non-saturated organic compounds are described. These compounds include Uranium III, a cyclopentadienic group, an alkyl group and an acetylenic derivative C 6 H 5 C triple bonds CR fixed by a π bond. Catalysts can be prepared with depleted uanium for hydrogenation of olefins for example [fr

  13. INFLUENCE OF CHEMICAL COMPOUNDS ON THE FORMING OF WELDING ARC

    Directory of Open Access Journals (Sweden)

    I. О. Vakulenko

    2014-10-01

    electric arc forming is determined using the indexes of degree of the above mentioned correlation. 3 The value of specific power of electric current at the moment of electric arc forming per unit of arc length can be accepted as the parameter, which characterizes the state of interelectrode space environment. Practical value. In the conditions of identical adjusting force of electric current the sequence of location of the studied compounds in the order of increase of their influence on the process of arcing is determined. Minimum influence is observed from kaolin, and maximal one – from Fe − Si .

  14. Single-layer dispersions of transition metal dichalcogenides in the synthesis of intercalation compounds

    International Nuclear Information System (INIS)

    Golub, Alexander S; Zubavichus, Yan V; Slovokhotov, Yurii L; Novikov, Yurii N

    2003-01-01

    Chemical methods for the exfoliation of transition metal dichalcogenides in a liquid medium to give single-layer dispersions containing quasi-two-dimensional layers of these compounds are surveyed. Data on the structure of dispersions and their use in the synthesis of various types of heterolayered intercalation compounds are discussed and described systematically. Structural features, the electronic structure and the physicochemical properties of the resulting intercalation compounds are considered. The potential of this method of synthesis is compared with that of traditional solid-state methods for the intercalation of layered crystals.

  15. Photoluminescence properties of carbazole compounds

    International Nuclear Information System (INIS)

    Qu Yufeng; Xu Liang; Sun Lianlai; Cao Linhong; Fang Yu; Zhang Qingjun; Luo Xuan; Liu Hongjie; Huang Jin; Jiang Xiaodong

    2013-01-01

    Poly[bis(6-carbazolhexyloxy)]phosphazene with good thermal stability(about 290 ℃) and a low glass transition temperature(about 36 ℃) was synthesized with N-(6-hydroxyhexyl)carbazole and linear polydichlorophosphazene. Steady state fluorescence spectra elucidated that the maximum fluorescence-emission wavelengths of carbazole, N-(6-hydroxyhexyl)carbazole and poly[bis(6-carbazolhexyloxy)]phosphazene are 420, 410, and 393 nm, respectively. The fluorescence intensity of N-(6-hydroxyhexyl)carbazole and poly[bis(6-carbazolhexyloxy)]phosphazene decreases orderly and has a blue-shift compared with carbazole. The transient fluorescence spectra show that the linear backbone and the isolated dπ-pπ hybrid orbital of polyphosphazene might increase steric hindrance and disrupt the previous conjugate system, leading to decrease of the fluorescence lifetime of poly[bis(6-carbazolhexyloxy)]phosphazene at several emission wavelengths. (authors)

  16. Vitamina C, carotenoides, fenólicos totais e atividade antioxidante de goiaba, manga e mamão procedentes da Ceasa do Estado de Minas Gerais = Vitamin C, carotenoids, phenolic compounds and antioxidant activity of guava, mango and papaya from Ceasa of Minas Gerais State

    Directory of Open Access Journals (Sweden)

    Daniela da Silva Oliveira

    2011-01-01

    Full Text Available Este estudo teve como objetivo analisar o conteudo de compostos antioxidantes (acido ascorbico - AA, acido desidroascorbico - ADA, vitamina C total, licopeno, £]-caroteno, £]-criptoxantina e estimativa de compostos fenolicos e avaliar a atividade antioxidante, em goiaba, manga e mamao. A analise de carotenoides e vitamina C foi realizada por Cromatografia Liquida de Alta Eficiencia (CLAE. O teor de fenolicos totais foi determinado utilizando o reagente de Folin-Ciocalteu e leitura espectrofotometrica. A atividade antioxidante foi avaliada pelo Teste do 2,2-diphenil-2-picril-hidrazil (DPPH¡E e do Poder Redutor. A Anova (ƒÑ = 0,05 foi utilizada para a analise dos dados. Os teores dos constituintes antioxidantes diferiram entre as tres frutas, mas a goiaba foi a fruta que apresentou teores mais elevados de compostos fenolicos, vitamina C total, ADA e licopeno, alem dos maiores valores para atividade antioxidante. Foi constatada forte correlacao entre os testes que avaliaram a atividade antioxidante e o teor de fenolicos totais, demonstrando serem estes os principais compostos antioxidantes a contribuirem para a atividade antioxidante das frutas analisadas, em ambos os testes. E importante incentivar a utilizacao das frutas avaliadas neste estudo, tanto em nivel domestico quanto em estabelecimentos de alimentacao coletiva para aumentar o consumo de antioxidantes naturais pela populacao.This study aimed to analyze the content of antioxidant compounds (ascorbic acid - AA, dehydroascorbic acid - DHA, total vitamin C, lycopene, £]-carotene, £]-cryptoxanthin and phenolic compounds and to evaluate the antioxidant activity in guava, mango and papaya.The analysis of carotenoids and vitamin C was performed by high performance liquid chromatography (HPLC. The content of phenolic compounds was determined using the Folin-Ciocalteu reagent and spectrophotometric reading. Antioxidant activity was evaluated by testing the 2.2-diphenyl-2-picryl

  17. 78 FR 72841 - List of Bulk Drug Substances That May Be Used in Pharmacy Compounding; Bulk Drug Substances That...

    Science.gov (United States)

    2013-12-04

    .... FDA-2013-N-1525] List of Bulk Drug Substances That May Be Used in Pharmacy Compounding; Bulk Drug... proposed rule to list bulk drug substances used in pharmacy compounding and preparing to develop a list of... Formulary monograph, if a monograph exists, and the United States Pharmacopoeia chapter on pharmacy...

  18. Spin polarization in rare earth intermetallic compounds

    International Nuclear Information System (INIS)

    Steenwijk, F.J. van

    1976-01-01

    In this thesis the results of Moessbauer experiments performed on a series of intermetallic compounds of europium and gadolinium are reported. For each of these compounds the magnetic hyperfine field, the electric field gradient at the nuclear site and the isomer shift were determined. For most of the compounds the magnetic ordering temperature was also measured. For some of the europium compounds (e.g. EuAu 5 , EuAg 5 , and EuCu 5 ) it could be derived from the measurements that the easy direction of magnetization falls along the crystallographic c-axis. In a number of compounds (e.g. EuCu 5 , EuZn 5 , EuAu 2 and GdCu 5 ), the various contributions to the magnetic hyperfine field were disentangled by the investigation of suitable pseudobinary compounds that are dilute in Eu. The neighbour contribution Hsub(N) and the paramagnetic Curie temperature thetasub(p) were compared with each other in terms of the RKKY model for EuCu 5 and GdCu 5 . Since the correspondence was found to be poor it was concluded that the magnetic behaviour in these compounds cannot be described by a simple free electron picture as is the basis for the RKKY model

  19. Aroma compounds in sweet whey powder.

    Science.gov (United States)

    Mahajan, S S; Goddik, L; Qian, M C

    2004-12-01

    Aroma compounds in sweet whey powder were investigated in this study. Volatiles were isolated by solvent extraction followed by solvent-assisted flavor evaporation. Fractionation was used to separate acidic from nonacidic volatiles. Gas chromatography/mass spectrometry and gas chromatography/olfactometry were used for the identification of aroma compounds. Osme methodology was applied to assess the relative importance of each aroma compound. The most aroma-intense free fatty acids detected were acetic, propanoic, butanoic, hexanoic, heptanoic, octanoic, decanoic, dodecanoic, and 9-decenoic acids. The most aroma-intense nonacidic compounds detected were hexanal, heptanal, nonanal, phenylacetaldehyde, 1-octen-3-one, methional, 2,6-dimethylpyrazine, 2,5-dimethylpyrazine, 2,3-dimethylpyrazine, 2,3,5-trimethylpyrazine, furfuryl alcohol, p-cresol, 2-acetylpyrrole, maltol, furaneol, and several lactones. This study suggested that the aroma of whey powder could comprise compounds originating from milk, compounds generated by the starter culture during cheese making, and compounds formed during the manufacturing process of whey powder.

  20. Phenolic compounds in Ross Sea water

    Science.gov (United States)

    Zangrando, Roberta; Barbaro, Elena; Gambaro, Andrea; Barbante, Carlo; Corami, Fabiana; Kehrwald, Natalie; Capodaglio, Gabriele

    2016-04-01

    Phenolic compounds are semi-volatile organic compounds produced during biomass burning and lignin degradation in water. In atmospheric and paleoclimatic ice cores studies, these compounds are used as biomarkers of wood combustion and supply information on the type of combusted biomass. Phenolic compounds are therefore indicators of paleoclimatic interest. Recent studies of Antarctic aerosols highlighted that phenolic compounds in Antarctica are not exclusively attributable to biomass burning but also derive from marine sources. In order to study the marine contribution to aerosols we developed an analytical method to determine the concentration of vanillic acid, vanillin, p-coumaric acid, syringic acid, isovanillic acid, homovanillic acid, syringaldehyde, acetosyringone and acetovanillone present in dissolved and particle phases in Sea Ross waters using HPLC-MS/MS. The analytical method was validated and used to quantify phenolic compounds in 28 sea water samples collected during a 2012 Ross Sea R/V cruise. The observed compounds were vanillic acid, vanillin, acetovanillone and p-coumaric acid with concentrations in the ng/L range. Higher concentrations of analytes were present in the dissolved phase than in the particle phase. Sample concentrations were greatest in the coastal, surficial and less saline Ross Sea waters near Victoria Land.

  1. IRIS Toxicological Review of Thallium and Compounds ...

    Science.gov (United States)

    Thallium compounds are used in the semiconductor industry, the manufacture of optic lenses and low-melting glass, low-temperature thermometers, alloys, electronic devices, mercury lamps, fireworks, and imitation germs, and clinically as an imaging agent in the diagnosis of certain tumors. EPA's assessment of noncancer health effects and carcinogenic potential of thallium compounds was last prepared and added to the IRIS database between 1988 and 1990. The IRIS program is preparing an assessment that will incorporate current health effects information available for thallium and compounds, and current risk assessment methods. The IRIS assessment for thallium compounds will consist of a Toxicological Review and IRIS Summary. The Toxicological Review is a critical review of the physiochemical and toxicokinetic properties of a chemical, and its toxicity in humans and experimental systems. The assessment will present reference values for the noncancer effects of thallium compounds (RfD and Rfc), and a cancer assessment. The Toxicological Review and IRIS Summary have been subject to Agency review, Interagency review, and external scientific peer review. The final product will reflect the Agency opinion on the overall toxicity of thallium and compounds. EPA is undertaking an Integrated Risk Information System (IRIS) health assessment for thallium and compounds. IRIS is an EPA database containing Agency scientific positions on potential adverse human health effec

  2. Biodegradable compounds: Rheological, mechanical and thermal properties

    Science.gov (United States)

    Nobile, Maria Rossella; Lucia, G.; Santella, M.; Malinconico, M.; Cerruti, P.; Pantani, R.

    2015-12-01

    Recently great attention from industry has been focused on biodegradable polyesters derived from renewable resources. In particular, PLA has attracted great interest due to its high strength and high modulus and a good biocompatibility, however its brittleness and low heat distortion temperature (HDT) restrict its wide application. On the other hand, Poly(butylene succinate) (PBS) is a biodegradable polymer with a low tensile modulus but characterized by a high flexibility, excellent impact strength, good thermal and chemical resistance. In this work the two aliphatic biodegradable polyesters PBS and PLA were selected with the aim to obtain a biodegradable material for the industry of plastic cups and plates. PBS was also blended with a thermoplastic starch. Talc was also added to the compounds because of its low cost and its effectiveness in increasing the modulus and the HDT of polymers. The compounds were obtained by melt compounding in a single screw extruder and the rheological, mechanical and thermal properties were investigated. The properties of the two compounds were compared and it was found that the values of the tensile modulus and elongation at break measured for the PBS/PLA/Talc compound make it interesting for the production of disposable plates and cups. In terms of thermal resistance the compounds have HDTs high enough to contain hot food or beverages. The PLA/PBS/Talc compound can be, then, considered as biodegradable substitute for polystyrene for the production of disposable plates and cups for hot food and beverages.

  3. Gold(III) bis(thiosemicarbazonate) compounds in breast cancer cells: Cytotoxicity and thioredoxin reductase targeting.

    Science.gov (United States)

    Rodríguez-Fanjul, Vanessa; López-Torres, Elena; Mendiola, M Antonia; Pizarro, Ana María

    2018-03-25

    Gold(III) compounds have received increasing attention in cancer research. Three gold complexes of general formula [Au III L]Cl, where L is benzil bis(thiosemicarbazonate), compound 1, benzil bis(4-methyl-3-thiosemicarbazonate), compound 2, or benzil bis(4-cyclohexyl-3-thiosemicarbazonate), compound 3, have been synthesized and fully characterized, including the X-ray crystal structure of compound 3, confirming square-planar geometry around the gold(III) centre. Compound 1 showed moderate cytotoxicity and accumulation in MCF7 breast cancer cells but did not inhibit thioredoxin reductase (TrxR) activity and did not induce reactive oxygen species (ROS) production. Compound 2, the least cytotoxic, was found to be capable of modestly inhibiting TrxR activity and produced low levels of ROS in the MCF7 cell line. The most cytotoxic compound, 3, had the highest cellular accumulation and its distribution pattern showed a clear preference for the cytosol and mitochondria of MCF7 cells. It readily hampered intracellular TrxR activity leading to a dramatic alteration of the cellular redox state and to the induction of cell death. Copyright © 2018 Elsevier Masson SAS. All rights reserved.

  4. Unexpected magnetism, and transport properties in mixed lanthanide compound

    Science.gov (United States)

    Pathak, Arjun; Gschneidner, Karl, Jr.; Pecharsky, Vitalij; Ames Laboratory Team

    For intelligent materials design it is desirable to have compounds which have multiple functionalities such as a large magnetoresistance, ferromagnetic and ferrimagnetic states, and field-induced first-order metamagnetic transitions. Here, we discuss one such example where we have combined two lanthanide elements Pr and Er in Pr0.6Er0.4Al2. This compound exhibits multiple functionalities in magnetic fields between 1 and 40 kOe. It undergoes only a trivial ferrimagnetism to paramagnetism transition in a zero magnetic field, but Pr0.6Er0.4Al2 exhibits a large positive magnetoresistance (MR) for H >=40 kOe, a small but non negligible negative MR for H field cooling from the paramagnetic state. These phenomena are attributed to the competition between single-ion anisotropies of Pr and Er ions coupled with the opposite nearest-neighbor and next-nearest-neighbor exchange interactions. This work was supported by the US Department of Energy, Office of Basic Energy Science, Division of Material Sciences and Engineering. The research was performed at the Ames Laboratory. The Ames Laboratory is operated by Iowa State University for the US D.

  5. Molecular basis of biodegradation of chloroaromatic compounds

    Energy Technology Data Exchange (ETDEWEB)

    Sangodkar, U M.X.; Aldrich, T L; Haugland, R A; Johnson, J; Rothmel, R K; Chakrabarty, A M [Illinois Univ., Chicago (USA). Coll. of Medicine; Chapman, P J [Environmental Protection Agency, Gulf Breeze, FL (USA). Microbial Ecology and Biotechnology

    1989-01-01

    Chlorinated aromatic hydrocarbons are widely used in industry and agriculture, and comprise the bulk of environmental pollutants. Although simple aromatic compounds are biodegradable by a variety of degradative pathways, their halogenated counterparts are more resistant to bacterial attack and often necessitate evolution of novel pathways. An understanding of such evolutionary processes is essential for developing genetically improved strains capable of mineralizing highly chlorinated compounds. This article provides an overview of the genetic aspects of dissimilation of chloroaromatic compounds and discusses the potential of gene manipulation to promote enhanced evolution of the degradation pathways. (orig.).

  6. Endocannabinoids, Related Compounds and Their Metabolic Routes

    Directory of Open Access Journals (Sweden)

    Filomena Fezza

    2014-10-01

    Full Text Available Endocannabinoids are lipid mediators able to bind to and activate cannabinoid receptors, the primary molecular targets responsible for the pharmacological effects of the Δ9-tetrahydrocannabinol. These bioactive lipids belong mainly to two classes of compounds: N-acylethanolamines and acylesters, being N-arachidonoylethanolamine (AEA and 2-arachidonoylglycerol (2-AG, respectively, their main representatives. During the last twenty years, an ever growing number of fatty acid derivatives (endocannabinoids and endocannabinoid-like compounds have been discovered and their activities biological is the subject of intense investigations. Here, the most recent advances, from a therapeutic point of view, on endocannabinoids, related compounds, and their metabolic routes will be reviewed.

  7. Antibacterial Compounds from Red Seaweeds (Rhodophyta

    Directory of Open Access Journals (Sweden)

    Noer Kasanah

    2015-07-01

    Full Text Available Seaweeds produce great variety of metabolites benefit for human. Red seaweeds (Rhodophyta are well known as producer of phycocolloids such agar, agarose, carragenan and great variety of secondary metabolites. This review discusses the red algal secondary metabolites with antibacterial activity. The chemical constituents of red algae are steroid, terpenoid, acetogenin and dominated by halogenated compounds mainly brominated compounds. Novel compounds with intriguing skeleton are also reported such as bromophycolides and neurymenolides. In summary, red seaweeds are potential sources for antibacterial agents and can serve as lead in synthesis of new natural medicines.

  8. Degradation of based EPDM dielectric compounds

    International Nuclear Information System (INIS)

    Galembeck, F.

    1988-01-01

    The stability of an EPDM compound used as power cables insulation was studied under various conditions of thermal stress. Changes in the dielectric and tensile strenght of the samples were found after the aging. Samples of the EPDM compound were analysed by spectroscopic (photoacoustic, IR) methods showing alterations in its components: Pb 3 O 4 is reduced to PbO and exsuded paraffin is oxidized. Methane is prevalent in the gaseous mixture released by the heated compound and analysed by Gas Chromatography. (author) [pt

  9. Pharmaceutical compounds in drinking water

    Directory of Open Access Journals (Sweden)

    Vikas Chander

    2016-06-01

    Full Text Available Pharmaceutical products and their wastes play a major role in the degradation of environment. These drugs have positive as well as negative consequences on different environmental components including biota in different ways. Many types of pharmaceutical substances have been detected with significant concentrations through various advanced instrumental techniques in surface water, subsurface water, ground water, domestic waste water, municipal waste water and industrial effluents. The central as well as state governments in India are providing supports by creating excise duty free zones to promote the pharmaceutical manufacturers for their production. As a result, pharmaceutical companies are producing different types of pharmaceutical products at large scale and also producing complex non-biodegradable toxic wastes byproducts and releasing untreated or partially treated wastes in the environment in absence of strong regulations. These waste pollutants are contaminating all types of drinking water sources. The present paper focuses on water quality pollution by pharmaceutical pollutants, their occurrences, nature, metabolites and their fate in the environment.

  10. Kinetic isotope effects and aliphatic diazo-compounds

    International Nuclear Information System (INIS)

    Albery, W.J.; Conway, C.W.; Hall, J.A.

    1976-01-01

    Results are reported for the variation of the rate of decomposition of ethyl diazomalonate (EDM) and diazomalonate anions with pH and for the deuterium solvent isotope effect for EDM. The shape of the pH profile is explained by successive protonations of the anions. Ethyl diazoacetate is observed as an intermediate in the decomposition of EDM. The degree of proton transfer in the EDM transition state is deduced from the solvent isotope effect and the results together with those for other aliphatic diazo-compounds are discussed in terms of the Marcus theory. (author)

  11. A compound parabolic concentrator as an ultracold neutron spectrometer

    Energy Technology Data Exchange (ETDEWEB)

    Hickerson, K.P., E-mail: hickerson@gmail.com; Filippone, B.W., E-mail: bradf@caltech.edu

    2013-09-01

    The design principles of nonimaging optics are applied to ultracold neutrons (UCN). In particular a vertical compound parabolic concentrator (CPC) that efficiently redirects UCN vertically into a bounded spatial volume where they have a maximum energy mga that depends only on the initial phase space cross sectional area πa{sup 2} creates a spectrometer which can be applied to neutron lifetime and gravitational quantum state experiments. -- Highlights: • Nonimaging optics is applied to ultracold neutrons. • A novel ultracold neutron spectrometer is discussed. • New uses may include a neutron lifetime experiment.

  12. A compound parabolic concentrator as an ultracold neutron spectrometer

    International Nuclear Information System (INIS)

    Hickerson, K.P.; Filippone, B.W.

    2013-01-01

    The design principles of nonimaging optics are applied to ultracold neutrons (UCN). In particular a vertical compound parabolic concentrator (CPC) that efficiently redirects UCN vertically into a bounded spatial volume where they have a maximum energy mga that depends only on the initial phase space cross sectional area πa 2 creates a spectrometer which can be applied to neutron lifetime and gravitational quantum state experiments. -- Highlights: • Nonimaging optics is applied to ultracold neutrons. • A novel ultracold neutron spectrometer is discussed. • New uses may include a neutron lifetime experiment

  13. Effect of vanadium compounds on acid phosphatase activity.

    Science.gov (United States)

    Vescina, C M; Sálice, V C; Cortizo, A M; Etcheverry, S B

    1996-01-01

    The direct effect of different vanadium compounds on acid phosphatase (ACP) activity was investigated. Vanadate and vanadyl but not pervanadate inhibited the wheat germ ACP activity. These vanadium derivatives did not alter the fibroblast Swiss 3T3 soluble fraction ACP activity. Using inhibitors of tyrosine phosphatases (PTPases), the wheat germ ACP was partially characterized as a PTPase. This study suggests that the inhibitory ability of different vanadium derivatives to modulate ACP activity seems to depend on the geometry around the vanadium atom more than on the oxidation state. Our results indicate a correlation between the PTPase activity and the sensitivity to vanadate and vanadyl cation.

  14. Magnetism, superconductivity and Fermi surfaces of plutonium compounds

    International Nuclear Information System (INIS)

    Haga, Y.; Aoki, D.; Yamagami, H.; Matsuda, T.D.; Nakajima, K.; Arai, Y.; Homma, Y.; Shiokawa, Y.; Yamamoto, E.; Nakamura, A.; Onuki, Y.

    2007-01-01

    Single crystals of plutonium compounds PuRhGa 5 and PuIn 3 are successfully grown. For PuRhGa 5 , anisotropy of the superconducting upper critical field was found and analyzed by the anisotropic mass model, consistent with quasi-two-dimensional electronic states predicted by band calculations. On the other hand, the de Haas-van Alphen oscillation was observed in PuIn 3 . By comparing with the band calculations, it is concluded that 5f electrons are itinerant in PuIn 3

  15. Simple calculation of hybridization effects in UTX and U2T2X compounds

    International Nuclear Information System (INIS)

    Prokes, K.; Brueck, E.; Nakotte, H.; De Chatel, P.F.; De Boer, F.R.

    1995-01-01

    The band widths of several UTX and U 2 T 2 X compounds (T: transition metal, X: p-metal) are evaluated by means of a tight-binding method. The magnetism in both groups of compounds is governed by the hybridization between U f-states and transition-metal d-states. Comparing the sum of all hybridization effects, we find approximately the same hybridization effects in both groups of compounds. We also observe a decrease of the band width with increasing atomic number Z within a transition-metal series. By comparing the band width with the theoretical critical energies for the f 3 and f 2 configurations, it is in some cases possible to predict whether the ground state is magnetically ordered or not. ((orig.))

  16. Photoacidic and Photobasic Behavior of Transition Metal Compounds with Carboxylic Acid Group(s)

    Energy Technology Data Exchange (ETDEWEB)

    O’Donnell, Ryan M. [Department of Chemistry, University of North Carolina at Chapel Hill, Chapel Hill, North Carolina 27599, United States; Sampaio, Renato N. [Department of Chemistry, University of North Carolina at Chapel Hill, Chapel Hill, North Carolina 27599, United States; Li, Guocan [Department of Chemistry, University of North Carolina at Chapel Hill, Chapel Hill, North Carolina 27599, United States; Johansson, Patrik G. [Department of Chemistry, University of North Carolina at Chapel Hill, Chapel Hill, North Carolina 27599, United States; Ward, Cassandra L. [Department of Chemistry, University of North Carolina at Chapel Hill, Chapel Hill, North Carolina 27599, United States; Meyer, Gerald J. [Department of Chemistry, University of North Carolina at Chapel Hill, Chapel Hill, North Carolina 27599, United States

    2016-03-10

    Excited state proton transfer studies of six Ru polypyridyl compounds with carboxylic acid/carboxylate group(s) revealed that some were photoacids and some were photobases. The compounds [RuII(btfmb)2(LL)]2+, [RuII(dtb)2(LL)]2+, and [RuII(bpy)2(LL)]2+, where bpy is 2,2'-bipyridine, btfmb is 4,4'-(CF3)2-bpy, and dtb is 4,4'-((CH3)3C)2-bpy, and LL is either dcb = 4,4'-(CO2H)2-bpy or mcb = 4-(CO2H),4'-(CO2Et)-2,2'-bpy, were synthesized and characterized. The compounds exhibited intense metal-to-ligand charge-transfer (MLCT) absorption bands in the visible region and room temperature photoluminescence (PL) with long τ > 100 ns excited state lifetimes. The mcb compounds had very similar ground state pKa’s of 2.31 ± 0.07, and their characterization enabled accurate determination of the two pKa values for the commonly utilized dcb ligand, pKa1 = 2.1 ± 0.1 and pKa2 = 3.0 ± 0.2. Compounds with the btfmb ligand were photoacidic, and the other compounds were photobasic. Transient absorption spectra indicated that btfmb compounds displayed a [RuIII(btfmb–)L2]2+* localized excited state and a [RuIII(dcb–)L2]2+* formulation for all the other excited states. Time dependent PL spectral shifts provided the first kinetic data for excited state proton transfer in a transition metal compound. PL titrations, thermochemical cycles, and kinetic analysis (for the mcb compounds) provided self-consistent pKa* values. The ability to make a single ionizable group photobasic or photoacidic through ligand design was unprecedented and was understood based on the orientation of the lowest-lying MLCT excited state dipole relative to the ligand that contained the carboxylic acid group(s).

  17. Thermal conductivity of REIn3 compounds

    International Nuclear Information System (INIS)

    Mucha, J

    2006-01-01

    The results of measurements of the thermal conductivity of REIn 3 (RE Pr, Nd, Dy, Ho, Tm) compounds as a function of the temperature in the interval 4-300 K in the absence and in the presence of an external magnetic field of 8 T are presented. Except for PRIn 3 all the compounds are antiferromagnetic. YIn 3 was also measured as a reference compound. The results were analysed in the paramagnetic phase, where an influence of the crystalline electric field on the thermal conductivity was found. Drastic changes in the thermal conductivity were observed and analysed in the vicinity of the Neel temperature and in the antiferromagnetic phases of the compounds. Below the Neel temperature an additional magnon contribution to the thermal conductivity was separated out

  18. SELKIRK'S THEORY OF VERBAL COMPOUNDING: A CRITICAL ...

    African Journals Online (AJOL)

    Selkirk presents her theory of verbal compounding as part of a more general theory ... typical lexicalist vein, words are assigned a dual status (Selkirk 1981: 230), On ..... nonhead and a deverbal head ~s an extremely product~ve process. Con-.

  19. Food applications of natural antimicrobial compounds

    Science.gov (United States)

    Lucera, Annalisa; Costa, Cristina; Conte, Amalia; Del Nobile, Matteo A.

    2012-01-01

    In agreement with the current trend of giving value to natural and renewable resources, the use of natural antimicrobial compounds, particularly in food and biomedical applications, becomes very frequent. The direct addition of natural compounds to food is the most common method of application, even if numerous efforts have been made to find alternative solutions to the aim of avoiding undesirable inactivation. Dipping, spraying, and coating treatment of food with active solutions are currently applied to product prior to packaging as valid options. The aim of the current work is to give an overview on the use of natural compounds in food sector. In particular, the review will gather numerous case-studies of meat, fish, dairy products, minimally processed fruit and vegetables, and cereal-based products where these compounds found application. PMID:23060862

  20. Organolead compounds shown to be genetically active

    Energy Technology Data Exchange (ETDEWEB)

    Ahlberg, J; Ramel, C; Wachtmeister, C A

    1972-01-01

    The purpose of the present investigation was to determine whether alkyllead compounds would cause a genetic effect similar to that caused by alkyl mercury compounds. Experiments were conducted on Allium cepa (onion) in order to determine the effect of lead compounds on the spindle fiber mechanism. Results indicate that disturbances of the spindle fiber mechanism occur even at very low concentrations. The lowest concentration at which such effects are observed seems to be between 10/sup -6/ and 10/sup -7/ M for the organic compounds. Although no effect can be observed on the spindle fibers at lower dosages, the mitotic index is changed even at a dose of 10/sup -7/ M with dimethyllead. A preliminary experiment was made on Drosophila with triethyllead in order to investigate whether the effects which were observed on mitoses in Allium would also be observed in a meiotic cell system in an animal.

  1. Thermodynamic Analysis of Ionic Compounds: Synthetic Applications.

    Science.gov (United States)

    Yoder, Claude H.

    1986-01-01

    Shows how thermodynamic cycles can be used to understand trends in heats of formation and aqueous solubilities and, most importantly, how they may be used to choose synthetic routes to new ionic compounds. (JN)

  2. Expatriate Compound Living: An Ethnographic Field Study

    DEFF Research Database (Denmark)

    Lauring, Jakob; Selmer, Jan

    2009-01-01

    In certain countries, closed expatriate compounds have developed.  They serve to provide resident expatriates and accompanying family members with a comfortable and safe environment. Unfortunately, not much is known about compound life since associated empirical research is scarce. Through...... ethnographic field-work methodology, including interviews and participant observation during a period of three months, this exploratory study investigated 16 Danish business expatriates of a large Danish corporation and their families living in the same compound in Saudi Arabia. They shared their spare time...... and the expatriates had the same working hours in the same subsidiary. Results show that a Danish national group was established and maintained. This in-group dominated life in the compound and at work it may have contributed to the perceptual bias and discriminatory behaviour demonstrated by the Danish expatriates...

  3. Pyridinium Oxime Compounds as Antimicrobial Agents

    National Research Council Canada - National Science Library

    Berger, Bradley J; Knodel, Marvin H

    2007-01-01

    ... (as a model for Leishmania spp.). In general, the compounds were found to have little to no antimicrobial effect, with KJD-2-11, a thiourea derivative, being the most active in all the test systems.

  4. Techniques for Analysis of Plant Phenolic Compounds

    Directory of Open Access Journals (Sweden)

    Thomas H. Roberts

    2013-02-01

    Full Text Available Phenolic compounds are well-known phytochemicals found in all plants. They consist of simple phenols, benzoic and cinnamic acid, coumarins, tannins, lignins, lignans and flavonoids. Substantial developments in research focused on the extraction, identification and quantification of phenolic compounds as medicinal and/or dietary molecules have occurred over the last 25 years. Organic solvent extraction is the main method used to extract phenolics. Chemical procedures are used to detect the presence of total phenolics, while spectrophotometric and chromatographic techniques are utilized to identify and quantify individual phenolic compounds. This review addresses the application of different methodologies utilized in the analysis of phenolic compounds in plant-based products, including recent technical developments in the quantification of phenolics.

  5. using stereochemistry models in teaching organic compounds

    African Journals Online (AJOL)

    Preferred Customer

    The purpose of the study was to find out the effect of stereochemistry models on students' ... consistent with the names given to organic compounds. Some of ... Considering class level, what is the performance of the students in naming organic.

  6. Chemical Reductive Transformations of Synthetic Organic Compounds

    National Research Council Canada - National Science Library

    Peyton, Gary

    2001-01-01

    Advanced Oxidation Processes (AOPs) can be used to selectively remove DNT (2,4-dinitrotoluene) from a complex waste stream by adding a precursor compound such as ethanol which forms a reducing radical upon reaction with hydroxyl radical...

  7. Food applications of natural antimicrobial compounds

    Directory of Open Access Journals (Sweden)

    Matteo Alessandro eDel Nobile

    2012-08-01

    Full Text Available In agreement with the current trend of giving value to natural and renewable resources, the use of natural antimicrobial compounds, particularly in food and biomedical applications, becomes very frequent. The direct addition of natural compounds to food is the most common method of application, even if numerous efforts have been made to find alternative solutions to the aim of avoiding undesirable inactivation. Dipping, spraying and coating treatment of food with active solutions are currently applied to product prior to packaging as valid options. The aim of the current work is to give an overview on the use of natural compounds in food sector. In particular, the review will gather numerous case-studies of meat, fish, dairy products, minimally processed fruit and vegetables and cereal-based products where these compounds found application.

  8. New heterocyclic compounds: Synthesis and antitrypanosomal properties.

    Science.gov (United States)

    Pomel, S; Dubar, F; Forge, D; Loiseau, P M; Biot, C

    2015-08-15

    Three new series of quinoline, quinolone, and benzimidazole derivatives were synthesized and evaluated in vitro against Trypanosoma brucei gambiense. In the quinoline series, the metallo antimalarial drug candidate (ferroquine, FQ) and its ruthenium analogue (ruthenoquine, RQ, compound 13) showed the highest in vitro activities with IC50 values around 0.1 μM. Unfortunately, both compounds failed to cure Trypanosoma brucei brucei infected mice in vivo. The other heterocyclic compounds were active in vitro with IC50 values varying from 0.8 to 34 μM. One of the most interesting results was a fluoroquinolone derivative (compound 2) that was able to offer a survival time of 8 days after a treatment at the single dose of 100 μmol/kg by intraperitoneal route. Although no clear-cut structure-activity relationships emerged, further pharmacomodulations are worth to be developed in this series. Copyright © 2015 Elsevier Ltd. All rights reserved.

  9. Three coordination compounds based on benzene tetracarboxylate ...

    Indian Academy of Sciences (India)

    YUNLONG WU

    nescence, considerable attention has been focused on the construction of coordination .... measurements were performed on ground powder samples at .... Figure 2. (a) Coordination environment of Co1 ion in compound 2. (b) Coordination.

  10. Food applications of natural antimicrobial compounds.

    Science.gov (United States)

    Lucera, Annalisa; Costa, Cristina; Conte, Amalia; Del Nobile, Matteo A

    2012-01-01

    In agreement with the current trend of giving value to natural and renewable resources, the use of natural antimicrobial compounds, particularly in food and biomedical applications, becomes very frequent. The direct addition of natural compounds to food is the most common method of application, even if numerous efforts have been made to find alternative solutions to the aim of avoiding undesirable inactivation. Dipping, spraying, and coating treatment of food with active solutions are currently applied to product prior to packaging as valid options. The aim of the current work is to give an overview on the use of natural compounds in food sector. In particular, the review will gather numerous case-studies of meat, fish, dairy products, minimally processed fruit and vegetables, and cereal-based products where these compounds found application.

  11. Stochastic interest rates model in compounding | Galadima ...

    African Journals Online (AJOL)

    Stochastic interest rates model in compounding. ... in finance, real estate, insurance, accounting and other areas of business administration. The assumption that future rates are fixed and known with certainty at the beginning of an investment, ...

  12. Compound Option Pricing under Fuzzy Environment

    Directory of Open Access Journals (Sweden)

    Xiandong Wang

    2014-01-01

    Full Text Available Considering the uncertainty of a financial market includes two aspects: risk and vagueness; in this paper, fuzzy sets theory is applied to model the imprecise input parameters (interest rate and volatility. We present the fuzzy price of compound option by fuzzing the interest and volatility in Geske’s compound option pricing formula. For each α, the α-level set of fuzzy prices is obtained according to the fuzzy arithmetics and the definition of fuzzy-valued function. We apply a defuzzification method based on crisp possibilistic mean values of the fuzzy interest rate and fuzzy volatility to obtain the crisp possibilistic mean value of compound option price. Finally, we present a numerical analysis to illustrate the compound option pricing under fuzzy environment.

  13. Volatile sulfur compounds in tropical fruits

    Directory of Open Access Journals (Sweden)

    Robert J. Cannon

    2018-04-01

    Full Text Available Global production and demand for tropical fruits continues to grow each year as consumers are enticed by the exotic flavors and potential health benefits that these fruits possess. Volatile sulfur compounds (VSCs are often responsible for the juicy, fresh aroma of tropical fruits. This poses a challenge for analytical chemists to identify these compounds as most often VSCs are found at low concentrations in most tropical fruits. The aim of this review is to discuss the extraction methods, enrichment techniques, and instrumentation utilized to identify and quantify VSCs in natural products. This will be followed by a discussion of the VSCs reported in tropical and subtropical fruits, with particular attention to the odor and taste attributes of each compound. Finally, the biogenesis and enzymatic formation of specific VSCs in tropical fruits will be highlighted along with the contribution each possesses to the aroma of their respective fruit. Keywords: Tropical fruits, Volatile sulfur compounds, Extraction methods

  14. Chemistry of tin compounds and environment

    International Nuclear Information System (INIS)

    Ali, S.; Mazhar, M.; Mahmood, S.; Bhatti, M.H.; Chaudhary, M.A.

    1997-01-01

    Of the large volume of tin compounds reported in the literature, possible only 100 are commercially important. Tin compounds are a wide variety of purposes such as catalysts, stabilizers for many materials including polymer, biocidal agents, bactericides, insecticides, fungicides, wood preservatives, acaricides and anti fouling agents in paints, anticancer and antitumour agents, ceramic opacifiers, as textile additives, in metal finishing operations, as food additives and in electro conductive coating. All these applications make the environment much exposed to tin contamination. The application of organotin compounds as biocides account for about 30% of total tin consumption suggesting that the main environmental effects are likely to originate from this sector. Diorgano tins and mono-organo tins are used mainly in plastic industry which is the next big source for environmental pollution. In this presentation all environmental aspects of the use of tin compounds and the recommended preventive measures are discussed. (author)

  15. Characterisation of selected volatile organic compounds in ...

    African Journals Online (AJOL)

    kshale

    2013-05-15

    May 15, 2013 ... have entered the commercial market, both in rural areas ... nation of volatile compounds include: gas chromate- graphy (GC) ... prior to the actual analysis, various extraction methods ..... traditional and industrial 'orujo' spirits.

  16. Agricultural Compounds in Water and Birth Defects.

    Science.gov (United States)

    Brender, Jean D; Weyer, Peter J

    2016-06-01

    Agricultural compounds have been detected in drinking water, some of which are teratogens in animal models. The most commonly detected agricultural compounds in drinking water include nitrate, atrazine, and desethylatrazine. Arsenic can also be an agricultural contaminant, although arsenic often originates from geologic sources. Nitrate has been the most studied agricultural compound in relation to prenatal exposure and birth defects. In several case-control studies published since 2000, women giving birth to babies with neural tube defects, oral clefts, and limb deficiencies were more likely than control mothers to be exposed to higher concentrations of drinking water nitrate during pregnancy. Higher concentrations of atrazine in drinking water have been associated with abdominal defects, gastroschisis, and other defects. Elevated arsenic in drinking water has also been associated with birth defects. Since these compounds often occur as mixtures, it is suggested that future research focus on the impact of mixtures, such as nitrate and atrazine, on birth defects.

  17. Atmospheric Chemistry of Micrometeoritic Organic Compounds

    Science.gov (United States)

    Kress, M. E.; Belle, C. L.; Pevyhouse, A. R.; Iraci, L. T.

    2011-01-01

    Micrometeorites approx.100 m in diameter deliver most of the Earth s annual accumulation of extraterrestrial material. These small particles are so strongly heated upon atmospheric entry that most of their volatile content is vaporized. Here we present preliminary results from two sets of experiments to investigate the fate of the organic fraction of micrometeorites. In the first set of experiments, 300 m particles of a CM carbonaceous chondrite were subject to flash pyrolysis, simulating atmospheric entry. In addition to CO and CO2, many organic compounds were released, including functionalized benzenes, hydrocarbons, and small polycyclic aromatic hydrocarbons. In the second set of experiments, we subjected two of these compounds to conditions that simulate the heterogeneous chemistry of Earth s upper atmosphere. We find evidence that meteor-derived compounds can follow reaction pathways leading to the formation of more complex organic compounds.

  18. Unconventional superconductivity and surface pairing symmetry in half-Heusler compounds

    Science.gov (United States)

    Wang, Qing-Ze; Yu, Jiabin; Liu, Chao-Xing

    2018-06-01

    Signatures of nodal line/point superconductivity [Kim et al., Sci. Adv. 4, eaao4513 (2018), 10.1126/sciadv.aao4513; Brydon et al., Phys. Rev. Lett. 116, 177001 (2016), 10.1103/PhysRevLett.116.177001] have been observed in half-Heusler compounds, such as LnPtBi (Ln = Y, Lu). Topologically nontrivial band structures, as well as topological surface states, have also been confirmed by angular-resolved photoemission spectroscopy in these compounds [Liu et al., Nat. Commun. 7, 12924 (2016), 10.1038/ncomms12924]. In this paper, we present a systematical classification of possible gap functions of bulk states and surface states in half-Heusler compounds and the corresponding topological properties based on the representations of crystalline symmetry group. Different from all the previous studies based on the four band Luttinger model, our study starts with the six-band Kane model, which involves both four p-orbital type of Γ8 bands and two s-orbital type of Γ6 bands. Although the Γ6 bands are away from the Fermi energy, our results reveal the importance of topological surface states, which originate from the band inversion between Γ6 and Γ8 bands, in determining surface properties of these compounds in the superconducting regime by combining topological bulk state picture and nontrivial surface state picture.

  19. Radiopharmaceuticals - current state and trends

    International Nuclear Information System (INIS)

    Muenze, R.

    1981-07-01

    The current state as well as the tendencies of modern radiopharmaceutical development and application is reviewed. After an evaluation of the fundamental preconditions of decay characteristics and pharmaceutical properties the problems concerning sup(99m)Tc-radiopharmaceuticals, metabolizable compounds and the use of specific biological interactions are discussed. (author)

  20. Diazo Compounds: Versatile Tools for Chemical Biology

    OpenAIRE

    Mix, Kalie A.; Aronoff, Matthew R.; Raines, Ronald T.

    2016-01-01

    Diazo groups have broad and tunable reactivity. That and other attributes endow diazo compounds with the potential to be valuable reagents for chemical biologists. The presence of diazo groups in natural products underscores their metabolic stability and anticipates their utility in a biological context. The chemoselectivity of diazo groups, even in the presence of azido groups, presents many opportunities. Already, diazo compounds have served as chemical probes and elicited novel modificatio...