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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. 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

  3. [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.

  4. 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.

  5. 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

  6. 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.

  7. 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

  8. 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.

  9. 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...

  10. 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.)

  11. 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.)

  12. 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)

  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. 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)

  15. 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

  16. 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.

  17. 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.

  18. 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.

  19. 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

  20. 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

  1. 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.

  2. 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

  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. 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.

  6. 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.

  7. 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.

  8. The Fifteen Oes, the "Disticha Catonis," Marculfius, and Dick, Jane, and Sally

    Science.gov (United States)

    Noakes, Susan

    1977-01-01

    Available from: University of Chicago Library Society Bulletin, c/o Harriet Clouse, Library Development Office, Regenstein Library, University of Chicago, Chicago, Illinois; $7.50 per year; issued irregularly 2-3/year. Discusses late-medieval primary education, especially learning to read; indicates how such education affected the way adults used…

  9. 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

  10. 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)

  11. 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.

  12. 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.))

  13. 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.

  14. 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.

  15. Mechanisms of Cytotoxicity of the Aids Virus

    Science.gov (United States)

    1992-10-10

    Baskin , G.B., Cho, E.-S., Murphey-Corb, Skillman, D., Kalter, D.C., Orenstein, J.M., Hoover, M., Blumberg, B.M. & Epstein, L.G. (1988), Com- D.L...423-6. ciency virus type 1 negative factor (nef) is a transcriptional 20. Clouse KA, Robbins PB, Fernie B, et al. Viral antigen stimu- silencer. Proc

  16. 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.

  17. 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.

  18. Final Programmatic Environmental Impact Statement, Lake Darling Flood Control Project, Souris River, North Dakota and Final Feature Environmental Impact Statement, Velva Flood Control, Velva, North Dakota.

    Science.gov (United States)

    1983-11-01

    1500-1508) identify a process called "tiering" and define it as "...the coverage of general matters in broader environmental impact statements (such as...Mr. John Clouse Mr. C. R. Danks Sherwood, ND 58782 Rural Route Route 2 Foxholm, ND 58738 King’s Court Minot, ND 58701 Dr. A. B. Brudirk Mrs. Veronica

  19. 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.

  20. 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.

  1. 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

  2. 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)

  3. 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)

  4. 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.

  5. 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.

  6. 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.

  7. 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.

  8. 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

  9. 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

  10. 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...

  11. 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.

  12. 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.

  13. 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 ...

  14. 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.

  15. 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.

  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. 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.

  18. 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.

  19. 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).

  20. 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

  1. 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

  2. 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

  3. 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

  4. 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

  5. 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.

  6. 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

  7. 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.

  8. 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.

  9. 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).

  10. 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.

  11. 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.

  12. 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.

  13. 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).

  14. 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.

  15. 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

  16. 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.

  17. 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.

  18. 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.

  19. 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

  20. 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

  1. 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.

  2. 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.

  3. 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.

  4. 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

  5. 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.

  6. 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.

  7. 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

  8. 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 ...

  9. 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)

  10. 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.

  11. 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.

  12. 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).

  13. 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.

  14. 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

  15. Core-level XPS studies of Ce and La intermetallic compounds and their implications for the 4f levels of Ce compounds

    International Nuclear Information System (INIS)

    Freiburg, C.; Fuggle, J.C.; Hillebrecht, F.U.; Zolnierek, Z.; Laesser, R.

    1983-01-01

    The 3d core hole X-ray photoelectron spectra (XPS) of approximately 30 intermetallic compounds of La and Ce are reported. Transitions to final states with approximately f 0 , f 1 and f 2 character are observed in some Ce compounds (f 0 and f 1 for La compounds). The results are discussed in terms of the current ideas of the influence of f-counts and f-levels hybridization on core level lineshapes. We cannot find an explanatoin of the observed spectra consisted with the ''promotial model'' where the 4f-count varies and 4f electron was thought to be entirely promoted to the Ce 5d6s valence bands in some compounds. There may be some small charge transfer from the f level, however. In conjunction with ideas on screening processes in XPS the observed lineshapes suggest coupling of the 4f electrons to other states is strongest in those compounds previously thought to have f 0 character. This coupling increases despite a large increase in the Ce-Ce distance when Ce is diluted with Ni or Pd. Thus it cannot be due to direct f-f interaction and must be attributed to coupling with the other valence electrons; possibly those centred on the partner sites. (orig./EZ) [de

  16. 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

  17. 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.

  18. 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

  19. 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...

  20. Analysis of lomustine drug content in FDA-approved and compounded lomustine capsules.

    Science.gov (United States)

    KuKanich, Butch; Warner, Matt; Hahn, Kevin

    2017-02-01

    OBJECTIVE To determine the lomustine content (potency) in compounded and FDA-approved lomustine capsules. DESIGN Evaluation study. SAMPLE 2 formulations of lomustine capsules (low dose [7 to 11 mg] and high dose [40 to 48 mg]; 5 capsules/dose/source) from 3 compounders and from 1 manufacturer of FDA-approved capsules. PROCEDURES Lomustine content was measured by use of a validated high-pressure liquid chromatography method. An a priori acceptable range of 90% to 110% of the stated lomustine content was selected on the basis of US Pharmacopeia guidelines. RESULTS The measured amount of lomustine in all compounded capsules was less than the stated content (range, 59% to 95%) and was frequently outside the acceptable range (failure rate, 2/5 to 5/5). Coefficients of variation for lomustine content ranged from 4.1% to 16.7% for compounded low-dose capsules and from 1.1% to 10.8% for compounded high-dose capsules. The measured amount of lomustine in all FDA-approved capsules was slightly above the stated content (range, 104% to 110%) and consistently within the acceptable range. Coefficients of variation for lomustine content were 0.5% for low-dose and 2.3% for high-dose FDA-approved capsules. CONCLUSIONS AND CLINICAL RELEVANCE Compounded lomustine frequently did not contain the stated content of active drug and had a wider range of lomustine content variability than did the FDA-approved product. The sample size was small, and larger studies are needed to confirm these findings; however, we recommend that compounded veterinary formulations of lomustine not be used when appropriate doses can be achieved with FDA-approved capsules or combinations of FDA-approved capsules.

  1. 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

  2. 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.))

  3. 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.

  4. 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

  5. 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.

  6. 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

  7. 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.

  8. 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

  9. 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.)

  10. 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.)

  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. 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…

  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. 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.

  15. 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.

  16. 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).

  17. 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 ...

  18. 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

  19. 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

  20. A comparative assessment of the acute inhalation toxicity of vanadium compounds.

    Science.gov (United States)

    Rajendran, N; Seagrave, J C; Plunkett, L M; MacGregor, J A

    2016-11-01

    Vanadium compounds have become important in industrial processes, resulting in workplace exposure potential and are present in ambient air as a result of fossil fuel combustion. A series of acute nose-only inhalation toxicity studies was conducted in both rats and mice in order to obtain comparative data on the acute toxicity potential of compounds used commercially. V 2 O 3 , V 2 O 4 , and V 2 O 5 , which have different oxidation states (+3, +4, +5, respectively), were delivered as micronized powders; the highly water-soluble and hygroscopic VOSO 4 (+4) could not be micronized and was instead delivered as a liquid aerosol from an aqueous solution. V 2 O 5 was the most acutely toxic micronized powder in both species. Despite its lower overall percentage vanadium content, a liquid aerosol of VOSO 4 was more toxic than the V 2 O 5 particles in mice, but not in rats. These data suggest that an interaction of characteristics, i.e., bioavailability, solubility and oxidation state, as well as species sensitivity, likely affect the toxicity potential of vanadium compounds. Based on clinical observations and gross necropsy findings, the lung appeared to be the target organ for all compounds. The level of hazard posed will depend on the specific chemical form of the vanadium. Future work to define the inhalation toxicity potential of vanadium compounds of various oxidation states after repeated exposures will be important in understanding how the physico-chemical and biological characteristics of specific vanadium compounds interact to affect toxicity potential and the potential risks posed to human health.

  1. 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

  2. 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 ...

  3. 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

  4. 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.

  5. Ultrafast responses of dipolar and octupolar compounds with dipicolinate as an electron acceptor

    Energy Technology Data Exchange (ETDEWEB)

    Wang, Yaochuan, E-mail: ycwang@dlmu.edu.cn [Department of Physics, Dalian Maritime University, Dalian 116026 (China); State Key Laboratory of Fine Chemicals, Dalian University of Technology, Dalian 116024 (China); Liu, Siyuan; Liu, Dajun; Wang, Guiqiu [Department of Physics, Dalian Maritime University, Dalian 116026 (China); Xiao, Haibo [Department of Chemistry, Shanghai Normal University, Shanghai 200234 (China)

    2016-11-01

    Two dipolar compounds with dipicolinate as electron acceptor group named trans-dimethyl-4-[4’-(N,N-dimethylamino)-styry1]-pyridin-2,6-dicarboxylate (M-1), trans-dimethyl-4-[4'-(N,N-diphenylamino)-styry1]-pyridin-2,6-dicarboxylate (P-1) as well as a P-1 based multi-branched octupolar compound {4-[(E)-2-(2,6-dimethoxycarbonylpyridin-4-yl) vinyl]}-N,N-bis{4-[(E)-2-(2,6-dimethoxycarbonylpyridin-4-yl)vinylphenyl]} aniline (P-3) with intense two-photon fluorescence emission properties are systematically investigated by using steady-state absorption and fluorescence spectroscopy, Z-scan, and two-photon excited fluorescence (TPF) method. The two-photon absorption cross section of octupolar compound P-3 in THF solution is determined to be 376 GM, which is approximately 12 times greater than that of dipolar counterpart P-1 (32 GM). Transient absorption spectroscopy is employed to investigate the excited state dynamics of the dipolar and octupolar compounds. The formation and relaxation lifetimes of the intra-molecular charge transfer (ICT) state are determined to be in the ranges of several picoseconds and several-hundreds of picoseconds, respectively, for all the three compounds in THF solutions. An extended π-conjugated system and increased intra-molecular cooperative effect are responsible for the observed large two-photon absorption character. - Highlights: • Octupolar compound gain 12-fold enhancement of two photon absorption. • Dynamic properties of intra-molecular charge transfer state are determined. • Cooperative effect is responsible for great increase of two photon character.

  6. 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)

  7. Hydrothermal synthesis of layered iron-chalcogenide superconductors and related compounds

    International Nuclear Information System (INIS)

    Pachmayr, Ursula Elisabeth

    2017-01-01

    This thesis provides a new preparative approach to iron-chalcogenide based superconductors. The hydrothermal synthesis of anti-PbO type FeSe, which can be seen as basis structure of the compounds of interest was successfully developed. Along with this, some insights regarding the influence of synthesis parameters were gained featuring a basis for further hydrothermal syntheses of new iron-chalcogenide compounds. The potential of this method, primarily the extension of the so far limited accessibility of iron-chalcogenide based superconductors by solid-state sythesis, was revealed within the present work. The solid-solution FeSe_1_-_xS_x was prepared for the whole substitution range, whereas solid-state synthesis exhibits a solubility limit at x = 0.3. Furthermore, the new compounds [(Li_0_._8Fe_0_._2)OH]FeX (X = Se, S) were synthesized which are exclusively accessible via hydrothermal method. The compounds, where layers of (Li_0_._8Fe_0_._2)OH alternate with FeX layers, feature exceptional physical properties, notably a coexistence of superconductivity and ferromagnetism. They were intensively studied within this work. By combination of solid-state and hydrothermal ion-exchange synthesis even large crystals necessary for subsequent physical measurements are accessible. Apart from these layered iron-chalcogenide superconductors, further compounds which likewise exhibit building blocks of edge-sharing FeSe_4 tetrahedra were found via this synthesis method. The iron selenides A_2Fe_4Se_6 (A = K, Rb, Cs) consist of double chains of [Fe_2Se_3]"1"-, whereas a new compound Na_6(H_2O)_1_8Fe_4Se_8 exhibits [Fe_4Se_8]"6"- 'stella quadrangula' clusters. This structural diversity as well as the associated physical properties of the compounds demonstrates the numerous capabilities of hydrothermal synthesis in the field of iron-chalcogenide compounds. In particular with regard to iron-chalcogenide based superconductors this synthesis strategy is encouraging. It seems probable

  8. Hydrothermal synthesis of layered iron-chalcogenide superconductors and related compounds

    Energy Technology Data Exchange (ETDEWEB)

    Pachmayr, Ursula Elisabeth

    2017-04-06

    This thesis provides a new preparative approach to iron-chalcogenide based superconductors. The hydrothermal synthesis of anti-PbO type FeSe, which can be seen as basis structure of the compounds of interest was successfully developed. Along with this, some insights regarding the influence of synthesis parameters were gained featuring a basis for further hydrothermal syntheses of new iron-chalcogenide compounds. The potential of this method, primarily the extension of the so far limited accessibility of iron-chalcogenide based superconductors by solid-state sythesis, was revealed within the present work. The solid-solution FeSe{sub 1-x}S{sub x} was prepared for the whole substitution range, whereas solid-state synthesis exhibits a solubility limit at x = 0.3. Furthermore, the new compounds [(Li{sub 0.8}Fe{sub 0.2})OH]FeX (X = Se, S) were synthesized which are exclusively accessible via hydrothermal method. The compounds, where layers of (Li{sub 0.8}Fe{sub 0.2})OH alternate with FeX layers, feature exceptional physical properties, notably a coexistence of superconductivity and ferromagnetism. They were intensively studied within this work. By combination of solid-state and hydrothermal ion-exchange synthesis even large crystals necessary for subsequent physical measurements are accessible. Apart from these layered iron-chalcogenide superconductors, further compounds which likewise exhibit building blocks of edge-sharing FeSe{sub 4} tetrahedra were found via this synthesis method. The iron selenides A{sub 2}Fe{sub 4}Se{sub 6} (A = K, Rb, Cs) consist of double chains of [Fe{sub 2}Se{sub 3}]{sup 1-}, whereas a new compound Na{sub 6}(H{sub 2}O){sub 18}Fe{sub 4}Se{sub 8} exhibits [Fe{sub 4}Se{sub 8}]{sup 6-} 'stella quadrangula' clusters. This structural diversity as well as the associated physical properties of the compounds demonstrates the numerous capabilities of hydrothermal synthesis in the field of iron-chalcogenide compounds. In particular with regard

  9. 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

  10. 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...

  11. Compound and Geometry-Dependent Pre-Compound Models to Calculate the Nuclear Data for Fusion Reactors

    International Nuclear Information System (INIS)

    Jahn, Helmut

    2005-01-01

    Compound and geometry-dependent pre-compound nuclear reactions are very useful concepts of nuclear theory to calculate cross sections of neutrons of around 14 MeV and below scattered by nuclei of material of installations producing energy of nuclear fusion. If these concepts are used to discuss and improve the experimental data they have to be completed by DWBA-type contributions to the small-step region of the incident neutron which can account for the angular distribution of the scattered neutron because there is the difficulty to separate experimentally the incoming from the scattered beam. The angle integrated cross-section in this region can be shown to be accounted for the surface dependent components of Blanns geometry-dependent precompound mechanism of the statistical state density and level density contributions of the compound and precompound components beeing calculated according to the recent developments of Anzaldo using the analytic number theory. The experimental data have been taken from the results of Hermsdorf, Meister, Sassonov, Seeliger, Seidel, Shahin and of A.Takahashi

  12. 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)

  13. 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.))

  14. 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.

  15. 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...

  16. 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.

  17. 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.

  18. 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)

  19. Preparation, properties, and ESCA characterization of vanadium surface compounds on silicagel. 1

    International Nuclear Information System (INIS)

    Horvath, B.; Strutz, J.; Geyer-Lippmann, J.; Horvath, E.G.

    1981-01-01

    Binding energies (BE) or 18 pure vanadium compounds (V 2psup(3/2) niveau) were measured in selected oxygen and chlorine environments, linearity of BE vs. oxidation states scrutinized and appropriate model compounds chosen as comparative standards. The general trend is an increase of BE with formal oxidation state; in particular, it could be counterbalanced by electron donating/withdrawing ligands on the V atom. A graphical (computerized) background substraction method was utilized to remove an interfering O 1s satellite peak and to enhance accuracy of BE values in surface compounds. BEs of (triple bond Si-O) 3 V=O, (triple bond Si-O) 3 V, and (triple bond Si-O) 3 V-(O 2 ) were determined. By comparison to standards positive BE shifts of about 2.1 eV were derived indicating the strong electron withdrawing ('electron sink') effect of the support on V in surface compounds. This is the first reported ESCA data on a surface peroxo complex. (author)

  20. 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

  1. Electronic structure and physical properties of Heusler compounds for thermoelectric and spintronic applications

    International Nuclear Information System (INIS)

    Ouardi, Siham

    2012-01-01

    This thesis focuses on synthesis as well as investigations of the electronic structure and properties of Heusler compounds for spintronic and thermoelectric applications. The first part reports on the electronic and crystal structure as well as the mechanical, magnetic, and transport properties of the polycrystalline Heusler compound Co 2 MnGe. The crystalline structure was examined in detail by extended X-ray absorption fine structure spectroscopy and anomalous X-ray diffraction. The low-temperature magnetic moment agrees well with the Slater-Pauling rule and indicates a half-metallic ferromagnetic state of the compound, as is predicted by ab-initio calculations. Transport measurements and hard X-ray photoelectron spectroscopy (HAXPES) were performed to explain the electronic structure of the compound. A major part of the thesis deals with a systematical investigation of Heusler compounds for thermoelectric applications. This thesis focuses on the search for new p-type Heusler compounds with high thermoelectric efficiency. The substitutional series NiTi 1-x M x Sn (where M=Sc, V and 0 0.26 Sc 0.04 Zr 0.35 Hf 0.35 Sn. HAXPES valence band measurement show massive in gap states for the parent compounds NiTiSn, CoTiSb and NiTi 0.3 Zr 0.35 Hf 0.35 Sn. This proves that the electronic states close to the Fermi energy play a key role for the behavior of the transport properties. Furthermore, the electronic structure of the gapless Heusler compounds PtYSb, PtLaBi and PtLuSb were investigated by bulk sensitive HAXPES. The linear behavior of the spectra close to εF proves the bulk origin of Dirac-cone type density of states. Furthermore, a systematic study on the optical and transport properties of PtYSb is presented. The compound exhibits promising thermoelectric properties with a high figure of merit (ZT=0.2) and a Hall mobility μh of 300 cm 2 /Vs at 350 K. The last part of this thesis describes the linear dichroism in angular-resolved photoemission from the valence band

  2. 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...

  3. 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

  4. 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.

  5. 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…

  6. 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.

  7. 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

  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. 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

  10. 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.

  11. Fabrication and electrical characterization of Al/diazo compound containing polyoxy chain/p-Si device structure

    Science.gov (United States)

    Birel, Ozgul; Kavasoglu, Nese; Kavasoglu, A. Sertap; Dincalp, Haluk; Metin, Bengul

    2013-03-01

    Diazo-compounds are important class of chemical compounds in terms of optical and electronic properties which make them potentially attractive for device applications. Diazo compound containing polyoxy chain has been deposited on p-Si. Current-voltage characteristics of Al/diazo compound containing polyoxy chain/p-Si structure present rectifying behaviour. The Schottky barrier height (SBH), diode factor (n), reverse saturation current (Io), interface state density (Nss) of Al/diazo compound containing polyoxy chain/p-Si structure have been calculated from experimental forward bias current-voltage data measured in the temperature range 100-320 K and capacitance-voltage data measured at room temperature and 1 MHz. The calculated values of SBH have ranged from 0.041 and 0.151 eV for the high and low temperature regions. Diode factor values fluctuate between the values 14 and 18 with temperature. Such a high diode factors stem from disordered interface layer in a junction structure as stated by Brötzmann et al. [M. Brötzmann, U. Vetter, H. Hofsäss, J. Appl. Phys. 106 (2009) 063704]. The calculated values of saturation current have ranged from 3×10-11 A to 2.79×10-7 A and interface state density have ranged from 5×1011 eV-1 cm-2 and 4×1013 eV-1 cm-2 as temperature increases. Results show that Al/diazo compound containing polyoxy chain/p-Si structure is a valuable candidate for device applications in terms of low reverse saturation current and low interface state density.

  12. 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

  13. Role of 3d electrons in formation of ionic-covalent bonds in II-VI based ternary compounds

    International Nuclear Information System (INIS)

    Lawniczak-Jablonska, K.; Iwanowski, R.J.; Perera, R.C.C.

    1997-01-01

    In the II-VI compounds doped with transition metals (diluted magnetic semiconductors) a substitution of cation by the introduced magnetic ion leads to hybridization of its 3d states with the sp states of the host semiconductor. The degree of hybridization of the 3d states and its interaction with the host material band states has been a subject of numerous discussions. Inner shell absorption spectroscopy provides very useful means of electronic structure analysis in a wide variety of systems. Due to its selectivity for atomic species and the selection rules for electron transitions, the soft X-ray absorption technique offers quite unique opportunity to measure directly the site-selective local density of the unoccupied d states in the compounds studied. Results are reported for ZnS compounds with Mn, Fe, Co or Ni substitutions for Zn

  14. Role of atomic bonding for compound and glass formation in Ni-Si, Pd-Si, and Ni-B systems

    Science.gov (United States)

    Tanaka, K.; Saito, T.; Suzuki, K.; Hasegawa, R.

    1985-11-01

    Valence electronic structures of crystalline compounds and glassy alloys of Ni silicides, Pd silicides, and Ni borides are studied by soft-x-ray spectroscopy over wide ranges of Si and B concentrations. The samples prepared include bulk compounds, glassy ribbons, and amorphous sputtered films. Silicon Kβ emissions of Ni and Pd silicides generally consist of a prominent peak fixed at ~=4.5 and ~=5.8 eV below the Fermi level EF, respectively, with a shoulder near EF which grows and shifts toward lower energy with increasing Si concentration. The former is identified as due to Si p-like states forming Si 3p-Ni 3d or Si 3p-Pd 4d bonding states while the latter as due to the corresponding antibonding states. Ni L3 and Pd L3 emissions of these silicides indicate that Ni 3d and Pd 4d states lie between the above two states. These local electronic configurations are consistent with partial-density-of-states (PDOS) calculations performed by Bisi and Calandra. Similar electronic configurations are suggested for Ni borides from B Kα and Ni L3 emissions. Differences of emission spectra between compounds and glasses of similar compositions are rather small, but some enhancement of the contribution of antibonding states to the PDOS near EF is suggested for certain glasses over that of the corresponding compounds. These features are discussed in connection with the compound stability and glass formability.

  15. 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

  16. 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)

  17. Electronic structure and physical properties of Heusler compounds for thermoelectric and spintronic applications

    Energy Technology Data Exchange (ETDEWEB)

    Ouardi, Siham

    2012-03-19

    This thesis focuses on synthesis as well as investigations of the electronic structure and properties of Heusler compounds for spintronic and thermoelectric applications. The first part reports on the electronic and crystal structure as well as the mechanical, magnetic, and transport properties of the polycrystalline Heusler compound Co{sub 2}MnGe. The crystalline structure was examined in detail by extended X-ray absorption fine structure spectroscopy and anomalous X-ray diffraction. The low-temperature magnetic moment agrees well with the Slater-Pauling rule and indicates a half-metallic ferromagnetic state of the compound, as is predicted by ab-initio calculations. Transport measurements and hard X-ray photoelectron spectroscopy (HAXPES) were performed to explain the electronic structure of the compound. A major part of the thesis deals with a systematical investigation of Heusler compounds for thermoelectric applications. This thesis focuses on the search for new p-type Heusler compounds with high thermoelectric efficiency. The substitutional series NiTi{sub 1-x}M{sub x}Sn (where M=Sc, V and 0compound. The pure compounds showed n-type behavior, while under Sc substitution the system switched to p-type behavior. A maximum Seebeck coefficient of +230 {mu}V/K (350 K) was obtained for NiTi{sub 0.26}Sc{sub 0.04}Zr{sub 0.35}Hf{sub 0.35}Sn. HAXPES valence band measurement show massive in gap states for the parent compounds NiTiSn, CoTiSb and NiTi{sub 0.3}Zr{sub 0.35}Hf{sub 0.35}Sn. This proves that the electronic states close to the Fermi energy play a key role for the behavior of the transport properties. Furthermore, the electronic structure of the gapless Heusler compounds PtYSb, PtLaBi and PtLuSb were investigated by bulk

  18. 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.

  19. Fabrication and electrical characterization of Al/diazo compound containing polyoxy chain/p-Si device structure

    International Nuclear Information System (INIS)

    Birel, Ozgul; Kavasoglu, Nese; Kavasoglu, A. Sertap; Dincalp, Haluk; Metin, Bengul

    2013-01-01

    Diazo-compounds are important class of chemical compounds in terms of optical and electronic properties which make them potentially attractive for device applications. Diazo compound containing polyoxy chain has been deposited on p-Si. Current–voltage characteristics of Al/diazo compound containing polyoxy chain/p-Si structure present rectifying behaviour. The Schottky barrier height (SBH), diode factor (n), reverse saturation current (I o ), interface state density (N ss ) of Al/diazo compound containing polyoxy chain/p-Si structure have been calculated from experimental forward bias current–voltage data measured in the temperature range 100–320 K and capacitance–voltage data measured at room temperature and 1 MHz. The calculated values of SBH have ranged from 0.041 and 0.151 eV for the high and low temperature regions. Diode factor values fluctuate between the values 14 and 18 with temperature. Such a high diode factors stem from disordered interface layer in a junction structure as stated by Brötzmann et al. [M. Brötzmann, U. Vetter, H. Hofsäss, J. Appl. Phys. 106 (2009) 063704]. The calculated values of saturation current have ranged from 3×10 −11 A to 2.79×10 −7 A and interface state density have ranged from 5×10 11 eV −1 cm −2 and 4×10 13 eV −1 cm −2 as temperature increases. Results show that Al/diazo compound containing polyoxy chain/p-Si structure is a valuable candidate for device applications in terms of low reverse saturation current and low interface state density

  20. Fabrication and electrical characterization of Al/diazo compound containing polyoxy chain/p-Si device structure

    Energy Technology Data Exchange (ETDEWEB)

    Birel, Ozgul [Mugla Sitki Kocman University, Faculty of Science, Chemistry Department, 48000-Muğla (Turkey); Kavasoglu, Nese, E-mail: knesese@gmail.com [Mugla Sitki Kocman University, Faculty of Science, Physics Department, Photovoltaic Material and Device Laboratory, 48000-Muğla (Turkey); Kavasoglu, A. Sertap [Mugla Sitki Kocman University, Faculty of Science, Physics Department, Photovoltaic Material and Device Laboratory, 48000-Muğla (Turkey); Dincalp, Haluk [Celal Bayar University, Faculty of Arts and Science, Chemistry Department, 45000-Manisa (Turkey); Metin, Bengul [Mugla Sitki Kocman University, Faculty of Science, Physics Department, Photovoltaic Material and Device Laboratory, 48000-Muğla (Turkey)

    2013-03-01

    Diazo-compounds are important class of chemical compounds in terms of optical and electronic properties which make them potentially attractive for device applications. Diazo compound containing polyoxy chain has been deposited on p-Si. Current–voltage characteristics of Al/diazo compound containing polyoxy chain/p-Si structure present rectifying behaviour. The Schottky barrier height (SBH), diode factor (n), reverse saturation current (I{sub o}), interface state density (N{sub ss}) of Al/diazo compound containing polyoxy chain/p-Si structure have been calculated from experimental forward bias current–voltage data measured in the temperature range 100–320 K and capacitance–voltage data measured at room temperature and 1 MHz. The calculated values of SBH have ranged from 0.041 and 0.151 eV for the high and low temperature regions. Diode factor values fluctuate between the values 14 and 18 with temperature. Such a high diode factors stem from disordered interface layer in a junction structure as stated by Brötzmann et al. [M. Brötzmann, U. Vetter, H. Hofsäss, J. Appl. Phys. 106 (2009) 063704]. The calculated values of saturation current have ranged from 3×10{sup −11} A to 2.79×10{sup −7} A and interface state density have ranged from 5×10{sup 11} eV{sup −1} cm{sup −2} and 4×10{sup 13} eV{sup −1} cm{sup −2} as temperature increases. Results show that Al/diazo compound containing polyoxy chain/p-Si structure is a valuable candidate for device applications in terms of low reverse saturation current and low interface state density.

  1. 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.

  2. 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

  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. 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.

  5. 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.

  6. 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.

  7. 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

  8. Rb-intercalated C60 compounds studied by Inverse Photoemission Spectroscopy

    International Nuclear Information System (INIS)

    Finazzi, M.; Brambilla, A; Biagioni, P.; Cattoni, A.; Duo, L.; Ciccacci, F.; Braicovich, L.; Giovanelli, L.; Goldoni, A.

    2004-01-01

    Full text: Since the discovery of superconductivity in alkali-doped solid C 60 , the electronic structure of the host material (C 60 ) and the doped compounds (A x C 60 , where A is an alkali metal), has been the subject of a considerable amount of work, both theoretical and experimental. The spectroscopic investigations of the alkali-doped C 60 compounds has been mainly focussed on the valence states, while much less information is available on the unoccupied states. In particular, inverse photoemission data on the complete set of stable Rb x C 60 compounds was, so far, still missing. We have performed Inverse Photoemission (IPE) spectroscopy on Rb x C 60 compounds (x = 1, 3, 4, 6). IPE spectra were obtained using a band-pass photon detector (hv = 9.4 eV, FWHM = 0.7 eV) and scanning the kinetic energy of the electrons impinging on the sample. Rb was evaporated on C 60 films (thickness = 6-12 atomic layers) grown in situ on a Cu(100) substrate. The temperature of the substrate was kept equal to T = 100 deg C, which is lower than the C 60 sublimation temperature. The amount of Rb was checked by measuring the intensity of the C1s and Rb3d photoemission lines. After the required amount of Rb had been deposited, the samples were annealed to distillate the desired stable phase

  9. A first-principles study of the electronic structure of the sulvanite compounds

    Energy Technology Data Exchange (ETDEWEB)

    Osorio-Guillen, J.M., E-mail: jorge.osorio@fisica.udea.edu.co [Instituto de Fisica, Universidad de Antioquia, Medellin A.A. 1226 (Colombia); Espinosa-Garcia, W.F. [Instituto de Fisica, Universidad de Antioquia, Medellin A.A. 1226 (Colombia)

    2012-03-15

    We have investigated by means of first-principles total energy calculations the electronic structure of the sulvanite compounds: Cu{sub 3}VS{sub 4}, Cu{sub 3}NbS{sub 4} and Cu{sub 3}TaS{sub 4}; the later is a possible candidate as a p-type transparent conductor with potential applications in solar cells and electrochromic devices. The calculated electronic structure shows that these compounds are indirect band gap semiconductors, with the valence band maximum located at the R-point and the conduction band minimum located at the X-point. The character of the valence band maximum is dominated by Cu d-states and the character of the conduction band minimum is due to the d-states of the group five elements. From the calculated charge density and electron localisation function we can conclude that the sulvanite compounds are polar covalent semiconductors.

  10. 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.

  11. 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.

  12. 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

  13. A Review of the Toxicity of Compounds Found in Herbal Dietary Supplements.

    Science.gov (United States)

    Hudson, Amy; Lopez, Elizabeth; Almalki, Ahmad J; Roe, Amy L; Calderón, Angela I

    2018-04-19

    Use of herbal dietary supplements by the public is common and has been happening for centuries. In the United States, the Food and Drug Administration has a limited scope of regulation over marketed herbal dietary supplements, which may contain toxic botanical compounds that pose a public health risk. While the Food and Drug Administration has made efforts to prohibit the sale of unsafe herbal dietary supplements, numerous reports have proliferated of adverse events due to these supplements. This literature review investigates bioactive plant compounds commonly used in herbal dietary supplements and their relative toxicities. Using primarily the National Library of Medicine journal database and SciFinder for current reports, 47 toxic compounds in 55 species from 46 plant families were found to demonstrate harmful effects due to hepatic, cardiovascular, central nervous system, and digestive system toxicity. This review further contributes a novel and comprehensive view of toxicity across the botanical dietary market, and investigates the toxicity of the top ten botanical dietary supplements purchased in the United States of America to gauge the exposure risk of toxicity to the public. The criteria of measuring toxicity in this review (plant compound, family, quantity, and toxicity effects) across the entire market in the United States, with special attention to those supplements whose exposure to the consumer is maximal, provides a unique contribution to the investigation of botanical supplements. Georg Thieme Verlag KG Stuttgart · New York.

  14. 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

  15. 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)

  16. 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

  17. 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

  18. 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.

  19. 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.

  20. 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.

  1. 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.

  2. 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

  3. Electronic structure, Fermi surface and optical properties of metallic compound Be8(B48)B2

    International Nuclear Information System (INIS)

    Reshak, A.H.; Azam, Sikander; Alahmed, Z.A.; Chyský, Jan

    2014-01-01

    The band structure, density of states, electronic charge density, Fermi surface and optical properties for B 8 (Be 48 )B 2 compound has been investigated in the support of density functional theory (DFT). The atomic positions of B 8 (Be 48 )B 2 compound were optimized by minimization of the forces acting on the atoms using the full potential linear augmented plane wave (FPLAPW) method. We have employed the local density approximation (LDA), generalized gradient approximation (GGA) and Engal-Vosko GGA (EVGGA) to indulgence the exchange correlation potential by solving Kohn–Sham equations. The result shows that the compound is metallic with sturdy hybridization near the Fermi energy level (E F ). The density of states at Fermi energy, N(E F ), is determined by the overlaping between B-p, B-s and Be-s states. This overlaping is strong enough indicating metallic origin with different values of N(E F ). These values are 16.4, 16.27 and 14.89 states/eV, and the corresponding bare linear low-temperature electronic specific heat coefficient (γ) is found to be 2.84, 2.82 and 2.58 mJ/mol K 2 for EVGGA, GGA and LDA respectively. There exists a strong hybridization between B-s and B-p states, also between B-s and Be-p states around the Fermi level. The Fermi surface is composed of three sheets. These sheets consist of set of holes and electrons. The bonding features of the compounds are analyzed using the electronic charge density in the (101 and −101) crystallographic planes and also the analyzing of charge density shows covalent bonding between B and B. The linear optical properties are also deliberated and discussed in particulars. - Highlights: • The compound is metallic. • The density of states at the Fermi energy is calculated. • The bare linear low-temperature electronic specific heat coefficient is obtained. • Fermi surface is composed of three sheets. • The bonding features are analyzed using the electronic charge density

  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. 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.

  6. Excited state Intramolecular Proton Transfer in Anthralin

    DEFF Research Database (Denmark)

    Møller, Søren; Andersen, Kristine B.; Spanget-Larsen, Jens

    1998-01-01

    Quantum chemical calculations performed on anthralin (1,8-dihydroxy-9(10H)-anthracenone) predict the possibility of an excited-state intramolecular proton transfer process. Fluorescence excitation and emission spectra of the compound dissolved in n-hexane at ambient temperature results in an unus......Quantum chemical calculations performed on anthralin (1,8-dihydroxy-9(10H)-anthracenone) predict the possibility of an excited-state intramolecular proton transfer process. Fluorescence excitation and emission spectra of the compound dissolved in n-hexane at ambient temperature results......, associated with an excited-state intramolecular proton transfer process....

  7. 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

  8. 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...

  9. 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.

  10. 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.

  11. 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.

  12. 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.

  13. 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

  14. Observation of Dirac state in half-Heusler material YPtBi

    OpenAIRE

    Hosen, M. Mofazzel; Dhakal, Gyanendra; Dimitri, Klauss; Choi, Hongchul; Kabir, Firoza; Sims, Christopher; Pavlosiuk, Orest; Wisniewski, Piotr; Durakiewicz, Tomasz; Zhu, Jian-Xin; Kaczorowski, Dariusz; Neupane, Madhab

    2018-01-01

    The prediction of non-trivial topological electronic states hosted by half-Heusler compounds makes them prime candidates for discovering new physics and devices as they harbor a variety of electronic ground states including superconductivity, magnetism, and heavy fermion behavior. Here we report normal state electronic properties of a superconducting half-Heusler compound YPtBi using angle-resolved photoemission spectroscopy (ARPES). Our data reveal the presence of a Dirac state at the zone c...

  15. Altered Transport and Metabolism of Phenolic Compounds in Obesity and Diabetes: Implications for Functional Food Development and Assessment12

    Science.gov (United States)

    Redan, Benjamin W; Buhman, Kimberly K; Novotny, Janet A; Ferruzzi, Mario G

    2016-01-01

    Interest in the application of phenolic compounds from the diet or supplements for the prevention of chronic diseases has grown substantially, but the efficacy of such approaches in humans is largely dependent on the bioavailability and metabolism of these compounds. Although food and dietary factors have been the focus of intense investigation, the impact of disease states such as obesity or diabetes on their absorption, metabolism, and eventual efficacy is important to consider. These factors must be understood in order to develop effective strategies that leverage bioactive phenolic compounds for the prevention of chronic disease. The goal of this review is to discuss the inducible metabolic systems that may be influenced by disease states and how these effects impact the bioavailability and metabolism of dietary phenolic compounds. Because current studies generally report that obesity and/or diabetes alter the absorption and excretion of these compounds, this review includes a description of the absorption, conjugation, and excretion pathways for phenolic compounds and how they are potentially altered in disease states. A possible mechanism that will be discussed related to the modulation of phenolic bioavailability and metabolism may be linked to increased inflammatory status from increased amounts of adipose tissue or elevated plasma glucose concentrations. Although more studies are needed, the translation of benefits derived from dietary phenolic compounds to individuals with obesity or diabetes may require the consideration of dosing strategies or be accompanied by adjunct therapies to improve the bioavailability of these compounds. PMID:28140326

  16. Structural, electronic and elastic properties of REIr{sub 2} (RE=La and Ce) Laves phase compounds

    Energy Technology Data Exchange (ETDEWEB)

    Shrivastava, Deepika, E-mail: deepika89shrivastava@gmail.com; Fatima, Bushra; Sanyal, Sankar P. [Department of Physics, Barkatullah University, Bhopal, 462026 (India)

    2016-05-23

    REIr{sub 2} (RE = La and Ce) Laves phase intermetallic compounds were investigated with respect to their structural, electronic and elastic properties using full potential linearized augmented plane wave (FP-LAPW) method within generalized gradient approximation (GGA) as implemented in WIEN2k code. The ground state properties such as lattice constants (a{sub 0}), bulk modulus (B), pressure derivative of bulk modulus (B′) and density of state at Fermi level N(E{sub F}) have been obtained by optimization method. The electronic structure (BS, TDOS and PDOS) reveals that these Laves phase compounds are metallic in nature. The calculated elastic constants indicate that these compounds are mechanically stable at ambient pressure and found to be ductile in nature.

  17. Contemporary challenges of pharmaceutical compounding in southern nigeria: results of survey

    Directory of Open Access Journals (Sweden)

    Deghinmotei Alfred-Ugbenbo

    2016-03-01

    Full Text Available In the past decade the pharmacy practice worldwide has witness a trend shift from product-orientation to patient-orientation. This and other reasons encouraged the Nigerian government and its institutions to systematically de-emphasized through its budget, funding for the development of compounding unit.Aim: The aim of given article was to examine the challenges facing compounding pharmacists in hospital pharmacies, cost estimating of extemporaneous preparations and searching of solutions.Methods: A closed and open-ended format questionnaire was distributed to 50 compounding pharmacists in Rivers State of Nigeria. The questionnaire comprised of a cover letter and 10 items which cut across personnel training, staffing, premise and equipment, logistics, cost of compounding, national reference standards on compounding, in-pharmacy control.Results: From the survey results, challenges of compounding pharmacies in southern Nigeria such as inadequate manpower, absence of electronic documentation, facilities and funding; lack of national formulary on extemporaneous formulations and locally conducted stability tests were revealed. Cost of extemporaneous preparations ranged from 1–15 US dollars.Conclusions: Development and implementation of easily accessible national formulary on extemporaneous formulations and their stability study, development of standard operating procedures for all activities in the pharmacy and staff training on recent technologies in compounding preparations are recommended

  18. 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

  19. Ligand-field symmetry effects in Fe(ii) polypyridyl compounds probed by transient X-ray absorption spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Cho, Hana; Strader, Matthew L.; Hong, Kiryong; Jamula, Lindsey; Gullikson, Eric M.; Kim, Tae Kyu; de Groot, Frank M. F.; McCusker, James K.; Schoenlein, Robert W.; Huse, Nils

    2012-01-01

    Ultrafast excited-state evolution in polypyridyl FeII complexes are of fundamental interest for understanding the origins of the sub-ps spin-state changes that occur upon photoexcitation of this class of compounds as well as for the potential impact such ultrafast dynamics have on incorporation of these compounds in solar energy conversion schemes or switchable optical storage technologies. We have demonstrated that ground-state and, more importantly, ultrafast time-resolved x-ray absorption methods can offer unique insights into the interplay between electronic and geometric structure that underpin the photo-induced dynamics of this class of compounds. The present contribution examines in greater detail how the symmetry of the ligand field surrounding the metal ion can be probed using these x-ray techniques. In particular, we show that steady-state K-edge spectroscopy of the nearest-neighbour nitrogen atoms reveals the characteristic chemical environment of the respective ligands and suggests an interesting target for future charge-transfer femtosecond and attosecond spectroscopy in the x-ray water window.

  20. Heat-capacity analysis of a large number of A15-type compounds

    International Nuclear Information System (INIS)

    Junod, A.; Jarlborg, T.; Muller, J.

    1983-01-01

    We analyze the low- and medium-temperature specific heat of 25 samples based on eleven A15 binary compounds, with T/sub c/'s ranging from less than 0.015 to 18 K. Experimentally determined ''moments'' of the phonon spectra (omega-bar,omega-bar 2 ,#betta#/sub log/) are included in the analysis. Values are tabulated for T-bar/sub c/, 2 , eta, 2 >, N/sub bs/(E/sub F/), Momega-bar 2 2 , H/sub c/(0), and 2δ(0)/k/sub B/T/sub c/. We note the following: (i) The Debye temperature is generally a bad estimate of #betta#/sub log/. (ii) lambda is governed mainly by the ''electronic parameter'' eta; lambda = 0.175eta(eV/A 2 ) +- 0.2 for all A15 compounds studied. (iii) eta is proportional to the density of states at the Fermi level and this density of states agrees well with band-structure calculations of Jarlborg in Nb-based compounds. In V-based compounds, the observed bad correlation may reflect the presence of spin fluctuations. (iv) The values for the reduced gap 2δ(0)/k/sub B/T/sub c/ range from 3.4 to 4.9 and they are correlated with T/sub c//#betta#/sub log/

  1. 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....

  2. Chemical protection of bacteria and cultured mammalian cells by sulfur--containing compounds

    Energy Technology Data Exchange (ETDEWEB)

    Antoku, S [Hiroshima Univ. (Japan). Research Inst. for Nuclear Medicine and Biology

    1975-03-01

    Protection by sulfur-containing compounds was studied using bacteria E. coli Bsub(H) and cultured mouse leukemic cells, L 5178 Y. The protective mechanisms are discussed. The dose reduction factors of non-sulfhydryl compounds observed in the bacteria were the same as those observed in mammalian cells, and the protective activity of these compounds was proportional to their reaction rates with hydroxyl radicals. On the other hand, sulfhydryl compounds, with the exception of glutathione, offered a much greater protection than was anticipated from their radical scavenging activity. From studies under anoxia, the protection of cysteine was explained by its OH scavenging and competition with oxygen. In addition, for MEA, protection against the direct action of radiation was suggested. This was supported by the significant protection in the frozen state.

  3. Structural, electronic and elastic properties of heavy fermion YbRh2 Laves phase compound

    Science.gov (United States)

    Pawar, Harsha; Shugani, Mani; Aynyas, Mahendra; Sanyal, Sankar P.

    2018-05-01

    The structural, electronic and elastic properties of YbRh2 Laves phase intermetallic compound which crystallize in cubic (MgCu2-type) structure have been investigated using ab-initio full potential linearized augmented plane wave (FP- LAPW) method with LDA and LDA+U approximation. The calculated ground state properties such as lattice parameter (a0), bulk modulus (B) and its pressure derivative (B') are in good agreement with available experimental and theoretical data. The electronic properties are analyzed from band structures and density of states. Elastic constants are predicted first time for this compound which obeys the stability criteria for cubic system.

  4. 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.

  5. Supercritical Algal Extracts: A Source of Biologically Active Compounds from Nature

    Directory of Open Access Journals (Sweden)

    Izabela Michalak

    2015-01-01

    Full Text Available The paper discusses the potential applicability of the process of supercritical fluid extraction (SFE in the production of algal extracts with the consideration of the process conditions and yields. State of the art in the research on solvent-free isolation of biologically active compounds from the biomass of algae was presented. Various aspects related with the properties of useful compounds found in cells of microalgae and macroalgae were discussed, including their potential applications as the natural components of plant protection products (biostimulants and bioregulators, dietary feed and food supplements, and pharmaceuticals. Analytical methods of determination of the natural compounds derived from algae were discussed. Algal extracts produced by SFE process enable obtaining a solvent-free concentrate of biologically active compounds; however, detailed economic analysis, as well as elaboration of products standardization procedures, is required in order to implement the products in the market.

  6. 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.

  7. Electronic Mentorship with Mentee Perception

    Directory of Open Access Journals (Sweden)

    Tuncay Özdemir

    2015-07-01

    Full Text Available Mentorship applications are commonly implemented in many European countries and America. Parallel with the developments in technology, e-mentorship programs, along with conventional and face-to-face mentorship, have become widespread. In this study we tried to determine the provincial education supervisors’ and their assistant supervisors’ perceptions on their roles over mentorship/e-mentorship. With this respect, interview forms carrying the aims of the study were developed by revising the interview forms Cantimer (2008 and Clouse (2007 used. Participants stated that provincial education supervisors and their assistant supervisors had occupational assistance and guidance, inspection and investigation, leadership, counseling and researching roles in accordance with their mentorship/e-mentorship roles.Keywords: Mentorship, E-Mentorship, Educational Inspection, Provincial Education SupervisorÖzMentorluk uygulamaları birçok Avrupa ülkesi ve Amerika’da yaygın bir şekilde kullanılmaktadır. Özellikle teknolojik alanda yaşanan gelişmelere paralel olarak geleneksel ya da yüz-yüze mentorluk programlarının yanı sıra e-mentorluk programları da yaygınlaşmaya başlamıştır. Bu çalışmada il eğitim denetmen ve yardımcılarının mentorluk/e-mentorluk rolleri üzerine algıları belirlenmeye çalışılmıştır. Bu amaçla Cantimer (2008’in ve Clouse (2007’nin kullandıkları görüşme formları araştırmanın amaçları doğrultusunda araştırmacılar tarafından revize edilerek geliştirilen görüşme formu kullanılmıştır. Katılımcılar il eğitim denetmen ve yardımcılarının mentorluk/e-mentorluk rollerine ilişkin mesleki yardım ve rehberlik, inceleme ve soruşturma, liderlik, danışmanlık ve araştırmacılık rollerinin olduğunu ifade etmişlerdir.Anahtar Sözcükler: Mentorluk, E-mentorluk, Eğitim Denetimi, İl eğitim Denetmeni

  8. 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

  9. 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.

  10. Exchange interactions and magnetic properties of hexagonal rare-earth-cobalt compounds

    Science.gov (United States)

    Burzo, E.

    2018-03-01

    The magnetic properties of some GdxY1-xCo4A compounds with A = Co, Si or B are analysed including the pressure effects. Isomorphous structure transitions, parallelly with changes of cobalt moments from high spin states to low spin states, were shown as pressure increases. The magnetic data, obtained from band structures, were compared with those predicted by the mean field model.

  11. 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)

  12. Organic radiation chemistry--the present state and problems

    International Nuclear Information System (INIS)

    Sareava, V.V.; Kalyazin, E.P.

    1985-01-01

    The authors pose the principal problems to be solved in organic radiation chemistry: 1) to derive from the structural formula of a given organic compound the composition of the products from its radiolysis under standard conditions; 2) to use a number of physicochemical properties of a given compound at the molecular and material levels to predict the variation in composition and fraction of products from the radiolysis of the compounds with a change in irradiation conditions, i.e., the parameters of the acting radiation and the state of the substance, to indicate the direction of the principal radiation chemical processes in complex mixtures of natural or technical origin. Having stated the problems, the authors attempt to show the level of understanding of the radiolysis of organic compounds, using aliphatic hydrocarbons as principal discussion subjects

  13. Insertion compounds of transition-metal and uranium oxides

    International Nuclear Information System (INIS)

    Chippindale, A.M.; Dickens, P.G.; Powell, A.V.

    1991-01-01

    Several transition-metal and actinide oxides, in which the metal occurs in a high oxidation state, have open covalent structures and are capable of incorporating alkali and other electropositive metals under mild conditions to form insertion compounds A x MO n . These are solids which have several features in common: Over a range of compositions, A x MO n exists as one or more stable or metastable phases in which the structure of the parent oxide MO n is largely retained and the insertion element A is accommodated interstitially. Insertion is accompanied by a redox process A=A i . + e - M in which M is reduced and the electronic properties of the parent oxide change to those typical of a mixed-valence compound. The insertion process xA + MO n = A x MO n can be reversed, at least to some extent, by chemical or electrochemical reaction, with retention of structure (topotactic reaction). This review concentrates on methods of synthesis, characterisation, crystal structure and thermochemistry of these insertion compounds. It updates and extends previous work. (author)

  14. Rb-intercalated C{sub 60} compounds studied by Inverse Photoemission Spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Finazzi, M; Brambilla, A; Biagioni, P; Cattoni, A; Duo, L; Ciccacci, F; Braicovich, L [INFM and Dip di Fisica del Politecnico di Milano, Milano (Italy); Giovanelli, L; Goldoni, A [ELETTRA Basovizza (Italy)

    2004-07-01

    Full text: Since the discovery of superconductivity in alkali-doped solid C{sub 60}, the electronic structure of the host material (C{sub 60}) and the doped compounds (A{sub x}C{sub 60}, where A is an alkali metal), has been the subject of a considerable amount of work, both theoretical and experimental. The spectroscopic investigations of the alkali-doped C{sub 60} compounds has been mainly focussed on the valence states, while much less information is available on the unoccupied states. In particular, inverse photoemission data on the complete set of stable Rb{sub x}C{sub 60} compounds was, so far, still missing. We have performed Inverse Photoemission (IPE) spectroscopy on Rb{sub x}C{sub 60} compounds (x = 1, 3, 4, 6). IPE spectra were obtained using a band-pass photon detector (hv = 9.4 eV, FWHM = 0.7 eV) and scanning the kinetic energy of the electrons impinging on the sample. Rb was evaporated on C{sub 60} films (thickness = 6-12 atomic layers) grown in situ on a Cu(100) substrate. The temperature of the substrate was kept equal to T = 100 deg C, which is lower than the C{sub 60} sublimation temperature. The amount of Rb was checked by measuring the intensity of the C1s and Rb3d photoemission lines. After the required amount of Rb had been deposited, the samples were annealed to distillate the desired stable phase.

  15. 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

  16. 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

  17. 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 ...

  18. Porous calcium carbonate as a carrier material to increase the dissolution rate of poorly soluble flavouring compounds.

    Science.gov (United States)

    Lundin Johnson, Maria; Noreland, David; Gane, Patrick; Schoelkopf, Joachim; Ridgway, Cathy; Millqvist Fureby, Anna

    2017-04-19

    Two different food grade functionalised porous calcium carbonates (FCC), with different pore size and pore size distributions, were characterised and used as carrier materials to increase the dissolution rate of poorly soluble flavouring compounds in aqueous solution. The loading level was varied between 1.3% by weight (wt%) and 35 wt%, where the upper limit of 35 wt% was the total maximum loading capacity of flavouring compound in FCC based on the fraction of the total weight of FCC plus flavouring compound. Flavouring compounds (l-carvone, vanillin, and curcumin) were selected based on their difference in hydrophilicity and capacity to crystallise. Release kinetic studies revealed that all flavouring compounds showed an accelerated release when loaded in FCC compared to dissolution of the flavouring compound itself in aqueous medium. The amorphous state and/or surface enlargement of the flavouring compound inside or on FCC explains the faster release. The flavouring compounds capable of crystallising (vanillin and curcumin) were almost exclusively amorphous within the porous FCC material as determined by X-ray powder diffraction one week after loading and after storing the loaded FCC material for up to 9 months at room temperature. A small amount of crystalline vanillin and curcumin was detected in the FCC material with large pores and high flavouring compound loading (≥30 wt%). Additionally, two different loading strategies were evaluated, loading by dissolving the flavouring compound in acetone or loading by a hot melt method. Porosimetry data showed that the melt method was more efficient in filling the smallest pores (<100 nm). The main factor influencing the release rate appears to be the amorphous state of the flavouring compound and the increase in exposed surface area. The confinement in small pores prevents crystallisation of the flavouring compounds during storage, providing a stable amorphous form retaining high release rate also after storage.

  19. Tunability of photoswitchable ruthenium sulfoxide compounds on the basis of ligand substitution

    Energy Technology Data Exchange (ETDEWEB)

    Eicke, Sebastian; Dieckmann, Volker; Springfeld, Kristin; Imlau, Mirco [Deparment of Physics, University of Osnabrueck (Germany)

    2010-07-01

    Photoswitchable ruthenium sulfoxide compounds provide a light-induced linkage isomerization in combination with pronounced changes in characteristic optical properties. As representative of the ruthenium sulfoxide group the molecular compound [Ru(bpy){sub 2}(R-OSO)]{sup +} (OSO: 2-methylsulfinylbenzoate) can be tuned in its optical properties by the substitution of the photoswitchable ligands (R=Bn, BnCl, BnMe). These modified sulfoxides were studied in respect to their photochromic properties and kinetics of the generation and relaxation of the light-induced isomers. The kinetics were determined by pump-probe technique and show in each case two reversible thermal decay processes following Arrhenius law. The two photo-excited states offer lifetimes in the magnitude of {tau}{sub 1}{approx}10{sup 3} s and {tau}{sub 2}{approx}10{sup 4} s at room temperature with activation energies about E{sub A,I}=0.72 eV to 0.92 eV and E{sub A,II}=0.8 eV to 1.00 eV. Another respresentative of the photoswitchable sulfoxides is the [Ru(bpy){sub 2}(pySO)]{sup 2+} compound. This molecule is the first sulfoxide which allows for reversible switching between the ground and metastable states by light exposure. With this compound the sulfoxides are highly qualified for optical data storage on a molecular scale.

  20. Structural characterisation of Tpx from Yersinia pseudotuberculosis reveals insights into the binding of salicylidene acylhydrazide compounds.

    Directory of Open Access Journals (Sweden)

    Mads Gabrielsen

    Full Text Available Thiol peroxidase, Tpx, has been shown to be a target protein of the salicylidene acylhydrazide class of antivirulence compounds. In this study we present the crystal structures of Tpx from Y. pseudotuberculosis (ypTpx in the oxidised and reduced states, together with the structure of the C61S mutant. The structures solved are consistent with previously solved atypical 2-Cys thiol peroxidases, including that for "forced" reduced states using the C61S mutant. In addition, by investigating the solution structure of ypTpx using small angle X-ray scattering (SAXS, we have confirmed that reduced state ypTpx in solution is a homodimer. The solution structure also reveals flexibility around the dimer interface. Notably, the conformational changes observed between the redox states at the catalytic triad and at the dimer interface have implications for substrate and inhibitor binding. The structural data were used to model the binding of two salicylidene acylhydrazide compounds to the oxidised structure of ypTpx. Overall, the study provides insights into the binding of the salicylidene acylhydrazides to ypTpx, aiding our long-term strategy to understand the mode of action of this class of compounds.

  1. Chemical shift of U L3 edges in different uranium compounds obtained by X-ray absorption spectroscopy with synchrotron radiation

    International Nuclear Information System (INIS)

    Joseph, D.; Jha, S.N.; Nayak, C.; Bhattacharyya, D.; Babu, P. Venu

    2014-01-01

    Uranium L 3 X-ray absorption edge was measured in various compounds containing uranium in U 4+ , U 5+ and U 5+ oxidation states. The measurements have been carried out at the Energy Dispersive EXAFS beamline (BL-08) at INDUS-2 synchrotron radiation source at RRCAT, Indore. Energy shifts of ∼ 2-3 eV were observed for U L 3 edge in the U-compounds compared to their value in elemental U. The different chemical shifts observed for the compounds having the same oxidation state of the cation but different anions or ligands show the effect of different chemical environments surrounding the cations in determining their X-ray absorption edges in the above compounds. The above chemical effect has been quantitatively described by determining the effective charges on U cation in the above compounds. (author)

  2. 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.

  3. Description, Properties, and Degradation of Selected Volatile Organic Compounds Detected in Ground Water--A Review of Selected Literature

    Science.gov (United States)

    Lawrence, Stephen J.

    2006-01-01

    This report provides abridged information describing the most salient properties and biodegradation of 27 chlorinated volatile organic compounds detected during ground-water studies in the United States. This information is condensed from an extensive list of reports, papers, and literature published by the U.S. Government, various State governments, and peer-reviewed journals. The list includes literature reviews, compilations, and summaries describing volatile organic compounds in ground water. This report cross-references common names and synonyms associated with volatile organic compounds with the naming conventions supported by the International Union of Pure and Applied Chemistry. In addition, the report describes basic physical characteristics of those compounds such as Henry's Law constant, water solubility, density, octanol-water partition (log Kow), and organic carbon partition (log Koc) coefficients. Descriptions and illustrations are provided for natural and laboratory biodegradation rates, chemical by-products, and degradation pathways.

  4. 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

  5. Moessbauer studies of non-linear excitations and gold cluster compounds

    International Nuclear Information System (INIS)

    Smit, H.H.A.

    1988-01-01

    Moessbauer effect spectroscopy has been applied to the study of three polynuclear gold cluster compounds. The resulting information on the local vibrational density of states has been compared to several models which take the finite size of the particles into consideration. 188 refs.; 34 figs.; 103 schemes; 8 tabs

  6. Disorder-induced amorphization of intermetallic compounds: A molecular dynamics study

    Energy Technology Data Exchange (ETDEWEB)

    Massobrio, C. (Ecole Polytechnique Federale, Lausanne (Switzerland). Inst. de Physique Experimentale); Pontikis, V.; Doan, N.V.; Martin, G. (CEA Centre d' Etudes Nucleaires de Saclay, 91 - Gif-sur-Yvette (France). Dept. de Physique des Particules Elementaires)

    The reaction of the crystalline compound NiZr{sub 2} to imposed chemical disorder has been studied by molecular dynamics in the isobaric canonical ensemble. The cohesive energy used is inspired by the second moment apporoximation of the local density of states in the tight binding model. Imposed chemical disorder induced swelling (3% for full disorder, 1% for 10% disorder). Above 10% disorder, the crystalline structure athermally collapses to an amorphous state which retains much of the local chemical order. (orig.).

  7. Disorder-induced amorphization of intermetallic compounds: A molecular dynamics study

    International Nuclear Information System (INIS)

    Massobrio, C.; Pontikis, V.; Doan, N.V.; Martin, G.

    1991-01-01

    The reaction of the crystalline compound NiZr 2 to imposed chemical disorder has been studied by molecular dynamics in the isobaric canonical ensemble. The cohesive energy used is inspired by the second moment apporoximation of the local density of states in the tight binding model. Imposed chemical disorder induced swelling (3% for full disorder, 1% for 10% disorder). Above 10% disorder, the crystalline structure athermally collapses to an amorphous state which retains much of the local chemical order. (orig.)

  8. 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

  9. 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)

  10. 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

  11. 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.

  12. Superconductivity in a new YBaCuO compound at 105 K

    International Nuclear Information System (INIS)

    Kirschner, I.; Bankuti, J.; Gal, M.; Torkos, K.; Solymos, K.G.; Horvath, G.

    1987-01-01

    A superconducting transition has been detected in a (Y 0.8 Ba 0.2 )(CuO 4-δ ) 2 compound by electrical and magnetic measurements. The resistivity begins to decrease at 173 K and the zero-resistivity state sets in at 105 K

  13. Anti-Biofilm Compounds Derived from Marine Sponges

    Directory of Open Access Journals (Sweden)

    Christian Melander

    2011-10-01

    Full Text Available Bacterial biofilms are surface-attached communities of microorganisms that are protected by an extracellular matrix of biomolecules. In the biofilm state, bacteria are significantly more resistant to external assault, including attack by antibiotics. In their native environment, bacterial biofilms underpin costly biofouling that wreaks havoc on shipping, utilities, and offshore industry. Within a host environment, they are insensitive to antiseptics and basic host immune responses. It is estimated that up to 80% of all microbial infections are biofilm-based. Biofilm infections of indwelling medical devices are of particular concern, since once the device is colonized, infection is almost impossible to eliminate. Given the prominence of biofilms in infectious diseases, there is a notable effort towards developing small, synthetically available molecules that will modulate bacterial biofilm development and maintenance. Here, we highlight the development of small molecules that inhibit and/or disperse bacterial biofilms specifically through non-microbicidal mechanisms. Importantly, we discuss several sets of compounds derived from marine sponges that we are developing in our labs to address the persistent biofilm problem. We will discuss: discovery/synthesis of natural products and their analogues—including our marine sponge-derived compounds and initial adjuvant activity and toxicological screening of our novel anti-biofilm compounds.

  14. 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

  15. Compound forming extractants, solvating solvents and inert solvents IUPAC chemical data series

    CERN Document Server

    Marcus, Y; Kertes, A S

    2013-01-01

    Equilibrium Constants of Liquid-Liquid Distribution Reactions, Part III: Compound Forming Extractants, Solvating Solvents, and Inert Solvents focuses on the compilation of equilibrium constants of various compounds, such as acids, ions, salts, and aqueous solutions. The manuscript presents tables that show the distribution reactions of carboxylic and sulfonic acid extractants and their dimerization and other reactions in the organic phase and extraction reactions of metal ions from aqueous solutions. The book also states that the inorganic anions in these solutions are irrelevant, since they d

  16. 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

  17. 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

  18. 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.

  19. X-ray magnetic circular dichroism in (Ge,Mn) compounds: Experiments and modeling

    International Nuclear Information System (INIS)

    Tardif, Samuel; Titov, Andrey; Arras, Emmanuel; Slipukhina, Ivetta; Hlil, El-Kébir; Cherifi, Salia; Joly, Yves; Jamet, Matthieu; Barski, André; Cibert, Joël; Kulatov, Erkin; Uspenskii, Yurii A.; Pochet, Pascal

    2014-01-01

    X-ray absorption (XAS) and x-ray magnetic circular dichroism (XMCD) spectra at the L 2,3 edges of Mn in (Ge,Mn) compounds have been measured and are compared to the results of first principles calculation. Early ab initio studies show that the Density Functional Theory (DFT) can very well describe the valence band electronic properties but fails to reproduce a characteristic change of sign in the L 3 XMCD spectrum of Mn in Ge 3 Mn 5 , which is observed in experiments. In this work we demonstrate that this disagreement is partially related to an underestimation of the exchange splitting of Mn 2p core states within the local density approximation. It is shown that the change in sign experimentally observed is reproduced if the exchange splitting is accurately calculated within the Hartree–Fock approximation, while the final states can be still described by the DFT. This approach is further used to calculate the XMCD in different (Ge,Mn) compounds. It demonstrates that the agreement between experimental and theoretical spectra can be improved by combining state of the art calculations for the core and valence states respectively. - Highlights: • X-ray absorption and magnetic circular dichroism spectra are measured and compared to first principles calculations in (Ge,Mn) compounds. • Standard density functional theory fails in properly describing peculiar features observed in the experiment. • A new approach to calculate theoretical X-ray absorption and magnetic circular dichroism spectra is proposed. • Improved modeling of the core levels splitting using the Hartree–Fock approximation allows for a better matching with the experiment. • This new method could be generalized to any 3d metallic-like system

  20. Jaroslav Rudiš, La Fin des punks à Helsinki

    Directory of Open Access Journals (Sweden)

    Morgan Corven

    2012-06-01

    Full Text Available « Ici c'est no future, Tchernobyl, les Sudètes et le terminus de toutes les lignes de bus. » (pp. 203-204En 1987, aux confins de la Tchécoslovaquie communiste, Nancy, sa crête et son blouson à clous, n'a rien pour plaire au régime. Brimée, persécutée, elle finit même par se faire exclure de l'école. Mais voilà bien le cadet de ses soucis : le pire serait de tomber enceinte à cause de cet idiot d'Helmut. Ou que le mal qui enfle dans sa gorge depuis l'explosion de la centrale Lénine ne s'avère...

  1. Isoniazid release from suppositories compounded with selected bases.

    Science.gov (United States)

    Hudson, Kristofer C; Asbill, C Scott; Webster, Andrew A

    2007-01-01

    There is an increasing need for an alternative route of isoniazid adminstration for prophylaxis and treatment of tuberculosis in children. The purpose of this study is to evaluate the in vitro release of isoniazid from extemporaneously compounded isoniazid suppositories with a goal of optimizing the suppository dosage form for this indication. Suppositories were compounded using three different base formulations (cocoa butter, Witepsol H15 Base F, and a combination of polyethylene glycols 3350, 1000, and 400). The release profiles of six compounded suppositories with isoniazid (100 mg) were tested with a United States Pharmacopeial Convention-approved dissolution apparatus. Isoniazid concentrations at predetermined time points were determined using high-performance liquid chromatographic analysis. The results show that drug release from the water-solutble base (mixed polyethylene glycols) was significantly greater than that from the lipophilic bases (cocoa butter and Witepsol H15). The percentage of isoniazid release form the polyethylene glycol suppository formulation (70 +/- 1.4 mg/mL) was greater than that from the cocoa butter (55 +/- 1.1 mg/mL) and Witepsol H15 Base F (18 +/- 0.36 mg/mL) suppository formulations.

  2. 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...

  3. GROWTH IN INSTITUTIONAL AGRICULTURAL CREDIT IN THE PUNJAB STATE OF INDIA

    Directory of Open Access Journals (Sweden)

    Hanish Sharma

    2014-12-01

    Full Text Available The present study revealed that the scheduled commercial banks were actively participating to uplift the socio-economic development in the state. A significant increase was also observed in the number of branches for the commercial banks, cooperative banks, Primary Agricultural Development Banks (PADB, Regional Rural Banks (RRBs during the last few years. Also increasing trend in flow of total deposits and advances in the Punjab state for the last twenty two years was found at significant compound growth rate of 14.1 percent and 17.4 per cent per annum, respectively. The growth was also significant in the total agricultural credit advances at compound growth rate of 20.03 per cent per annum. Similar increase was found in the total micro credit advances at compound growth rate of 29.95 per cent per annum, in the total advances to weaker sections at compound growth rate of 29.70 per cent per annum and in the debt waiver scheme in the state. The KCC advances increased at compound growth rate of 22.40 per cent per annum.

  4. 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)

  5. 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)

  6. 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...

  7. 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.

  8. 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.

  9. Mixed valence and metamagnetism in a metal flux grown compound Eu2Pt3Si5

    International Nuclear Information System (INIS)

    Sarkar, Sumanta; Subbarao, Udumula; Joseph, Boby; Peter, Sebastian C.

    2015-01-01

    A new compound Eu 2 Pt 3 Si 5 with plate shaped morphology has been grown from excess In flux. The compound crystallizes in the orthorhombic U 2 Co 3 Si 5 structure type, Ibam space group and the lattice parameters are a=10.007(2) Å, b=11.666(2) Å and c=6.0011(12) Å. The crystal structure of this compound can be conceived as inter-twinned chains of [Pt 2 Si 2 ] and [PtSi 3 ] tetrahedra connected along [100] direction to give rise to a complex three dimensional [Pt 3 Si 5 ] network. Temperature dependent magnetic susceptibility data suggests that Eu 2 Pt 3 Si 5 undergoes a strong antiferromagnetic ordering (T N =19 K) followed by a weak ferromagnetic transition (T C =5.5 K). The effective magnetic moment/Eu obtained from susceptibility data is 6.78 μ B accounts mixed valent Eu with almost 85% divalent Eu, which is supported by X-ray absorption near edge spectroscopy. The compound undergoes a metamagnetic transition under applied magnetic field through a probable spin flop mechanism. - Graphical abstract: Eu 2 Pt 3 Si 5 , a new member in the U 2 Co 3 Si 5 (Ibam) family undergoes metamagnetic transition at high magnetic field and Eu is in mixed valence state. - Highlights: • A new compound Eu 2 Pt 3 Si 5 has been synthesized using indium as an inactive metal flux. • The compound undergoes metamagnetic transition at higher field. • Eu in this compound resides in a mixed valence state

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

    Energy Technology Data Exchange (ETDEWEB)

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

    2011-12-15

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

  11. The scent of colorectal cancer: detection by volatile organic compound analysis

    NARCIS (Netherlands)

    de Boer, Nanne K. H.; de Meij, Tim G. J.; Oort, Frank A.; Ben Larbi, Ilhame; Mulder, Chris J. J.; van Bodegraven, Adriaan A.; van der Schee, Marc P.

    2014-01-01

    The overall metabolic state of an individual is reflected by emitted volatile organic compounds (VOCs), which are gaseous carbon-based chemicals. In this review, we will describe the potential of VOCs as fully noninvasive markers for the detection of neoplastic lesions of the colon. VOCs are

  12. 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.

  13. 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.

  14. Deep Subseafloor Fungi as an Untapped Reservoir of Amphipathic Antimicrobial Compounds.

    Science.gov (United States)

    Navarri, Marion; Jégou, Camille; Meslet-Cladière, Laurence; Brillet, Benjamin; Barbier, Georges; Burgaud, Gaëtan; Fleury, Yannick

    2016-03-10

    The evolving global threat of antimicrobial resistance requires a deep renewal of the antibiotic arsenal including the isolation and characterization of new drugs. Underexplored marine ecosystems may represent an untapped reservoir of novel bioactive molecules. Deep-sea fungi isolated from a record-depth sediment core of almost 2000 m below the seafloor were investigated for antimicrobial activities. This antimicrobial screening, using 16 microbial targets, revealed 33% of filamentous fungi synthesizing bioactive compounds with activities against pathogenic bacteria and fungi. Interestingly, occurrence of antimicrobial producing isolates was well correlated with the complexity of the habitat (in term of microbial richness), as higher antimicrobial activities were obtained at specific layers of the sediment core. It clearly highlights complex deep-sea habitats as chemical battlefields where synthesis of numerous bioactive compounds appears critical for microbial competition. The six most promising deep subseafloor fungal isolates were selected for the production and extraction of bioactive compounds. Depending on the fungal isolates, antimicrobial compounds were only biosynthesized in semi-liquid or solid-state conditions as no antimicrobial activities were ever detected using liquid fermentation. An exception was made for one fungal isolate, and the extraction procedure designed to extract amphipathic compounds was successful and highlighted the amphiphilic profile of the bioactive metabolites.

  15. A general theory for radioactive processes in rare earth compounds

    International Nuclear Information System (INIS)

    Acevedo, R.; Meruane, T.

    1998-01-01

    The formal theory of radiative processes in centrosymmetric coordination compounds of the Ln X 3+ is a trivalent lanthanide ion and X -1 =Cl -1 , Br -1 ) is put forward based on a symmetry vibronic crystal field-ligand polarisation model. This research considers a truncated basis set for the intermediate states of the central metal ion and have derived general master equations to account for both the overall observed spectral intensities and the measured relative vibronic intensity distributions for parity forbidden but vibronically allowed electronic transitions. In addition, a procedure which includes the closure approximation over the intermediate electronic states is included in order to estimate quantitative crystal field contribution to the total transition dipole moments of various and selected electronic transitions. This formalism is both general and flexible and it may be employed in any electronic excitations involving f N type configurations for the rare earths in centrosymmetric co-ordination compounds in cubic environments and also in doped host crystals belonging to the space group Fm 3m. (author)

  16. 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.)

  17. 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

  18. Occurrence and concentrations of pharmaceutical compounds in groundwater used for public drinking-water supply in California.

    Science.gov (United States)

    Fram, Miranda S; Belitz, Kenneth

    2011-08-15

    Pharmaceutical compounds were detected at low concentrations in 2.3% of 1231 samples of groundwater (median depth to top of screened interval in wells=61 m) used for public drinking-water supply in California. Samples were collected statewide for the California State Water Resources Control Board's Groundwater Ambient Monitoring and Assessment (GAMA) Program. Of 14 pharmaceutical compounds analyzed, 7 were detected at concentrations greater than or equal to method detection limits: acetaminophen (used as an analgesic, detection frequency 0.32%, maximum concentration 1.89 μg/L), caffeine (stimulant, 0.24%, 0.29 μg/L), carbamazepine (mood stabilizer, 1.5%, 0.42 μg/L), codeine (opioid analgesic, 0.16%, 0.214 μg/L), p-xanthine (caffeine metabolite, 0.08%, 0.12 μg/L), sulfamethoxazole (antibiotic, 0.41%, 0.17 μg/L), and trimethoprim (antibiotic, 0.08%, 0.018 μg/L). Detection frequencies of pesticides (33%), volatile organic compounds not including trihalomethanes (23%), and trihalomethanes (28%) in the same 1231 samples were significantly higher. Median detected concentration of pharmaceutical compounds was similar to those of volatile organic compounds, and higher than that of pesticides. Pharmaceutical compounds were detected in 3.3% of the 855 samples containing modern groundwater (tritium activity>0.2 TU). Pharmaceutical detections were significantly positively correlated with detections of urban-use herbicides and insecticides, detections of volatile organic compounds, and percentage of urban land use around wells. Groundwater from the Los Angeles metropolitan area had higher detection frequencies of pharmaceuticals and other anthropogenic compounds than groundwater from other areas of the state with similar proportions of urban land use. The higher detection frequencies may reflect that groundwater flow systems in Los Angeles area basins are dominated by engineered recharge and intensive groundwater pumping. Published by Elsevier B.V.

  19. 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

  20. Effect of aromatic compounds on radiation resistance of polymers studied by optical emission

    International Nuclear Information System (INIS)

    Kawanishi, Shunichi; Hagiwara, Miyuki

    1987-10-01

    To clarify the effects of condensed bromoacenaphthylene (con-BACN) as a newly developed flame retardant on the radiation resistance of ethylene-propylene-diene-terpolymer (EPDM), optical emission behavior of aromatic compounds, acenaphthylene and acenaphthene as model compound of con-BACN was studied. The energy absorbed in polymer matrix is transferred to the aromatic molecules very fast within 1 ns, and introduces excited states of aromatic compound. The fluorescence from naphthalene units of the additives with peak at 337 and 350 nm (named AT emission band) was observed in EPDM containing acenaphthene or acenaphthylene. When aromatic peroxide was used as a crosslinking agent, another emission band (Xn band) was observed at 400 nm. It was found that these emission bands play a role in trapping sites in which a part of radiation energy release in the form of fluorescence. The energy level of the excited state was correlated to the radiation stability measured with coloration and oxidation reaction of the polymer. Furthermore, acenaphthylene having a reactive vinyl bond forms excimer emission band Ex whose level is lower than those of AT and Xn bands, and therefore, enhances radiation stability of matrix polymer by giving effective routes for energy release. (author)

  1. Synthesis of novel liquid crystal compounds and their blood compatibility as anticoagulative materials

    International Nuclear Information System (INIS)

    Tu Mei; Cha Zhenhang; Feng Bohua; Zhou Changren

    2006-01-01

    The objective of this study was to synthesize new types of cholesteric liquid crystal compounds and study the anticoagulative properties of their composite membranes. Three kinds of cholesteric liquid crystal compounds were synthesized and characterized by infrared spectroscopy, differential scanning calorimetry and optical polarizing microscope. The polysiloxane, as a substrate, was blended with three liquid crystal compounds and was then used as membranes. The anticoagulative property of different polysiloxane liquid crystal composite membranes was identified by the blood compatibility tests. Three cholesteryl liquid crystals synthesized in this work contained hydrophilic soft chains and presented iridescent texture owned by cholesteric liquid crystals in the range of their liquid crystal state temperature, but only cholesteryl acryloyl oxytetraethylene glycol carbonate was in the liquid crystal state at body temperature. When liquid crystals were blended with polysiloxane to form polysiloxane/liquid crystal composite membranes, the haemocompatibility of these membranes could be improved to some extent. The blood compatibility of composite membranes whose hydrophilic property was the best was more excellent than that of other composite membranes, fewer platelets adhered and spread, and showed little distortion on the surface of materials

  2. Competing orbital ordering in RVO3 compounds: High-resolution x-ray diffraction and thermal expansion

    International Nuclear Information System (INIS)

    Sage, M. H.; Blake, G. R.; Palstra, T. T. M.; Marquina, C.

    2007-01-01

    We report evidence for the phase coexistence of orbital orderings of different symmetry in RVO 3 compounds with intermediate-size rare earths. Through a study by high-resolution x-ray powder diffraction and thermal expansion, we show that the competing orbital orderings are associated with the magnitude of the VO 6 octahedral tilting and magnetic exchange striction in these compounds and that the phase-separated state is stabilized by lattice strains

  3. 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

  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. 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 .

  6. 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

  7. 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.

  8. Dual passivation of intrinsic defects at the compound semiconductor/oxide interface using an oxidant and a reductant.

    Science.gov (United States)

    Kent, Tyler; Chagarov, Evgeniy; Edmonds, Mary; Droopad, Ravi; Kummel, Andrew C

    2015-05-26

    Studies have shown that metal oxide semiconductor field-effect transistors fabricated utilizing compound semiconductors as the channel are limited in their electrical performance. This is attributed to imperfections at the semiconductor/oxide interface which cause electronic trap states, resulting in inefficient modulation of the Fermi level. The physical origin of these states is still debated mainly because of the difficulty in assigning a particular electronic state to a specific physical defect. To gain insight into the exact source of the electronic trap states, density functional theory was employed to model the intrinsic physical defects on the InGaAs (2 × 4) surface and to model the effective passivation of these defects by utilizing both an oxidant and a reductant to eliminate metallic bonds and dangling-bond-induced strain at the interface. Scanning tunneling microscopy and spectroscopy were employed to experimentally determine the physical and electronic defects and to verify the effectiveness of dual passivation with an oxidant and a reductant. While subsurface chemisorption of oxidants on compound semiconductor substrates can be detrimental, it has been shown theoretically and experimentally that oxidants are critical to removing metallic defects at oxide/compound semiconductor interfaces present in nanoscale channels, oxides, and other nanostructures.

  9. Partial purification of endogenous digitalis-like compound(s) in cord blood

    Energy Technology Data Exchange (ETDEWEB)

    Balzan, S.; Ghione, S.; Biver, P.; Gazzetti, P.; Montali, U. (C.N.R. Institute of Clinical Physiology, Pisa (Italy))

    1991-02-01

    Increasing evidence indicates the presence of endogenous digitalis-like compound(s) in human body fluids. In this preliminary report, we describe a study of the partial purification by HPLC of these compounds in the plasma of neonates (who have particularly high concentrations of this substance) and adults. Plasma samples from neonates (cord blood) and adults, lyophilized and extracted with methanol, were applied on a 300 x 3.9 mm C18 Nova Pak column and eluted with a mobile phase of acetonitrile/methanol/water (17/17/66 or 14/14/72 by vol) and, after 30 min, with 100% methanol. We assayed eluted fractions for inhibitory activity of 86Rb uptake and for digoxin-like immunoreactivity. The elution profile revealed a first peak of inhibitory activity of 86Rb uptake at the beginning of the chromatography; another peak was eluted with the 100% methanol. The two peaks also cross-reacted with antidigoxin antibodies. Because the second peak could possibly reflect the nonspecific interference of various lipophilic compounds, we focused our attention on the first peak. For these fractions dose-response curves for 86Rb uptake and for displacement of digoxin were parallel, respectively, to those of ouabain and digoxin, suggesting similarities of digoxin-like immunoreactive substance to cardiac glycosides. Similar chromatographic profiles were also obtained for plasma from adults, suggesting that the endogenous glycoside-like compound(s) in the neonate may be the same as those in the adult.

  10. Rb-intercalated C60 compounds studied by photoemission spectroscopies

    International Nuclear Information System (INIS)

    Brambilla, A.; Giovanelli, L.; Vilmercati, P.; Cattoni, A.; Biagioni, P.; Goldoni, A.; Finazzi, M.; Duo, L.

    2005-01-01

    We report on a combined photoemission and inverse photoemission spectroscopy analysis on Rb x C 60 compounds with different stoichiometries (0-bar x-bar 6). Apart from shifts and broadening of the spectral features associated to the different phase formed, we observe in the RbC 60 phase the presence of the highest occupied molecular orbital (HOMO) shoulder and of its symmetric (with respect to the Fermi level) empty state. According to calculations, the metallicity of this phase and the presence of these electronic states may be taken as a fingerprint of the interplay between electron-electron and electron-phonon interactions in determining the electronic behavior of alkali metal fullerides

  11. Ion spectra of the metal vapor vacuum arc ion source with compound and alloy cathodes

    Science.gov (United States)

    Sasaki, Jun; Brown, Ian G.

    1990-01-01

    In metal vapor vacuum arc (MEVVA) ion sources, vacuum arc plasma with cathodes of single, pure elements has been utilized for the production of metal ions. In this study, we have investigated the charge state distributions of ions produced in vacuum arc plasmas in a MEVVA ion source for the case when the cathode is an alloy or a compound material. The ion charge state spectra were analyzed by means of a time-of-flight apparatus. We have compared the ion spectra for a cathode of an alloy or a compound material with its constituent elements: TiC/TiN/TiO2/Ti/C, SiC/Si/C, WC/W/C U/UN/(UN-ZrC)/Zr/C, and brass/Zn/Cu. We find that the MEVVA produces ions of all constituent elements in the compound and the alloy cathodes. The charge state distribution of each element differs, however, from the charge state distribution obtained in the vacuum arc with a cathode made of the pure, single constituent element. Fractional values of the total ion numbers of each constituent element in the extracted beam depart from the stoichiometry of the elements in the cathode material. In an operation with a TiC cathode, we irradiated a 304 stainless-steel plate with the extracted beam. Results from glow-discharge spectroscopy (GDS) of the surface show that both titanium and carbon are implanted in the substrate after the irradiation.

  12. 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)

  13. Passive Sampling in Regulatory Chemical Monitoring of Nonpolar Organic Compounds in the Aquatic Environment

    DEFF Research Database (Denmark)

    Booij, Kees; Robinson, Craig D; Burgess, Robert M

    2016-01-01

    We reviewed compliance monitoring requirements in the European Union, the United States, and the Oslo-Paris Convention for the protection of the marine environment of the North-East Atlantic, and evaluated if these are met by passive sampling methods for nonpolar compounds. The strengths...... is the best available technology for chemical monitoring of nonpolar organic compounds. Key issues to be addressed by scientists and environmental managers are outlined....... and shortcomings of passive sampling are assessed for water, sediments, and biota. Passive water sampling is a suitable technique for measuring concentrations of freely dissolved compounds. This method yields results that are incompatible with the EU's quality standard definition in terms of total concentrations...

  14. 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

  15. A Preliminary study on the Biased Attention and Interpretation in the Recognition of Face-body Compound of the Individuals with Social Anxiety

    Directory of Open Access Journals (Sweden)

    Dong-Hyun eKim

    2016-03-01

    Full Text Available The present study aimed to investigate the processes through which individuals with social anxiety attend to and interpret compound emotional expressions of the face and body. Incongruent face-body compound images that combined an angry face (or body with a fearful, sad, or happy body (or face were presented to a social anxiety group (SA; n=22 and a healthy control group (HC; n=22. The participants were instructed to interpret the emotional state of the image, and their eye-movements and behavioral responses were measured. The results revealed that both group showed longer scanpath length during the recognition of compound images which combined angry face with angry, fearful, sadness, or happy body. The SA group also showed longer scanpath length in congruent face-body compound images of fear and sad. Additionally, the SA group fixated for a shorter period of time on the face and longer on the body than the HC group. Regarding emotion interpretation, the SA group was more likely to interpret the emotional state of incongruent face-body compound images based on the body than the HC group. These findings provide a preliminary observation that individuals with social anxiety showed different attentional bias pattern by congruency of face-body compound images and that it might have biased their interpretations of the emotional states.

  16. Galvanomagnetic properties of atomically disordered compounds YBa2Cu3O7

    International Nuclear Information System (INIS)

    Kar'kin, A.E.; Goshchitskij, B.N.

    2001-01-01

    To clarify the peculiarities of the metal-dielectric transition (MDT) in the HTSC type compounds one investigated into the galvanomagnetic properties of YBa 2 Cu 3 O 7 polycrystalline specimens irradiated by fast neutrons under 80 K temperature with F = 2x10 19 cm -2 fluence and subsequent to their exposure to the isochronal annealings within 150-390 K temperature range. It was determined that temperature dependences of R H Hall coefficient and of MR magnetic resistances of YBa 2 Cu 3 O 7 polycrystalline compounds disordered by fast neutrons retained the anomalous properties peculiar to the HTSC type disordered compounds in spite of the fact that conductivity was not a metallic one. This behavior is explained by the fact that in the disordered compounds there are two co-existing electron phases with conductivity as to the localized and the metallic states. Concentration of metallic phase is lower than threshold of passing, that is why, conductivity of this system is of dielectric type while R H and MR have temperature dependences similar to metallic phase that are renormalized by magnitude [ru

  17. Transport measurements on superconducting iron pnictides and Heusler compounds; Transportmessungen an Supraleitenden Eisenpniktiden und Heusler-Verbindungen

    Energy Technology Data Exchange (ETDEWEB)

    Bombor, Dirk

    2014-09-05

    In this work, results of electronic transport measurements are discussed for superconducting iron pnictides as well as for ferromagnetic Heusler compounds. The iron pnictides are a recently discovered class of high temperature superconductors where magnetism might play a crucial role. While the 122-pnictides show antiferromagnetism and migrate to the superconducting state upon doping, ferromagnetism has been observed in doped LiFeAs. On the other hand, in the undoped state this material shows interesting superconducting properties. Among other properties, Heusler compounds are well known due to their ferromagnetism. Co{sub 2}FeSi, which was investigated in this work, is one of the strongest ferromagnets. Beside this, one predicts this compound to be a half-metallic ferromagnet with completely spin polarized electronic transport where all conducting electrons have the same spin. The here addressed properties can well be investigated with the method of electronic transport measurements, whose results on single crystals are discussed in this work.

  18. Modelling uptake into roots and subsequent translocation of neutral and ionisable organic compounds

    DEFF Research Database (Denmark)

    Trapp, Stefan

    2000-01-01

    A study on uptake of neutral and dissociating organic compounds from soil solution into roots, and their subsequent translocation, was undertaken using model simulations. The model approach combines the processes of lipophilic sorption, electrochemical interactions, ion trap, advection in xylem...... and dilution by growth. It needs as input data, apart fromplant properties, log KOW, pKa and the valency number of the compound, and pH and chemical concentration in the soil solution. Equilibrium and dynamic (steady-state) models were tested against measured data from several authors, including non...

  19. Simple configuration in the capture state and the general picture of nuclear state complications

    International Nuclear Information System (INIS)

    Soloviev, V.G.

    1974-01-01

    Main concepts of a model for describing fragmentation, based on taking into account the interaction between quasiparticles and phonons are presented. Results on fragmentation of one-quasiparticle states calculations are given. General concepts of an approach based on operator form of wave function of high-excitation state are presented, and contribution of individual simple configurations to wave functions of neutron resonances is evaluated. The cases, for which the valent neutron model can be used, are shown. The structure of compound-states is discussed

  20. Novel treatment technologies for PFAS compounds: A critical review.

    Science.gov (United States)

    Kucharzyk, Katarzyna H; Darlington, Ramona; Benotti, Mark; Deeb, Rula; Hawley, Elisabeth

    2017-12-15

    Perfluorinated compounds such as perfluorooctane sulfonate (PFOS) and perfluorooctanoic acid (PFOA) have recently drawn great attention due to their wide distribution in aquatic environments. The understanding of the physicochemical properties and fate and transport of PFAs in groundwater is still limited. Preliminary studies indicate that these compounds can readily bioaccumulate and pose human and animal health concerns. Due to their physicochemical properties, PFOS and PFOA are water soluble, nonvolatile and persistent in the environment, which is a cause of concern related to their treatment with conventional remediation technologies. Extraction with inefficient carbon adsorption is one of the most common treatment technologies for remediation of PFOS- or PFOA-impacted groundwater. Several other innovative and promising technologies, including sonochemistry, bioremediation and photolysis, have been tested for their effectiveness in removal of perfluorinated compounds. This paper provides a baseline for understanding research needs to better develop treatment technologies for PFOA and PFOS in groundwater. Frontiers for improving the state of practice for PFOA and PFOS treatment include the development of more cost-effective ex situ treatment methods and the development and demonstration of promising in situ treatment technologies at the pilot and full scale. Copyright © 2017 Elsevier Ltd. All rights reserved.

  1. 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.

  2. Highly solvatochromic emission of electron donor-acceptor compounds containing propanedioato boron electron acceptors

    NARCIS (Netherlands)

    Brouwer, A.M.; Bakker, N.A.C.; Wiering, P.G.; Verhoeven, J.W.

    1991-01-01

    Light-induced electron transfer occurs in bifunctional compounds consisting of 1,3-diphenylpropanedioato boron oxalate or fluoride electron acceptors and simple aromatic electron-donor groups, linked by a methylene bridge; fluorescence from the highly polar charge-transfer excited state is

  3. 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.

  4. Recent progress of soft X-ray photoelectron spectroscopy studies of uranium compounds

    Energy Technology Data Exchange (ETDEWEB)

    Fujimori, Shin-ichi; Takeda, Yukiharu; Okane, Tetsuo; Saitoh, Yuji [Condensed Matter Science Divisions, Japan Atomic Energy Agency, Sayo, Hyogo (Japan); Fujimori, Atsushi [Condensed Matter Science Divisions, Japan Atomic Energy Agency, Sayo, Hyogo (Japan); Department of Physics, University of Tokyo, Hongo, Tokyo 113-0033 (Japan); Yamagami, Hiroshi [Condensed Matter Science Divisions, Japan Atomic Energy Agency, Sayo, Hyogo (Japan); Department of Physics, Faculty of Science, Kyoto Sangyo University, Kyoto 603-8555 (Japan); Yamamoto, Etsuji; Haga, Yoshinori [Advanced Science Research Center, Japan Atomic Energy Agency, Tokai, Ibaraki 319-1195 (Japan); Ōnuki, Yoshichika [Advanced Science Research Center, Japan Atomic Energy Agency, Tokai, Ibaraki 319-1195 (Japan); Faculty of Science, University of the Ryukyus, Nishihara, Okinawa 903-0213 (Japan)

    2016-04-15

    Recent progresses in the soft X-ray photoelectron spectroscopy (PES) studies (hν ≳ 100 eV) for uranium compounds are briefly reviewed. The soft X-ray PES has enhanced sensitivities for the bulk U 5f electronic structure, which is essential to understand the unique physical properties of uranium compounds. In particular, the recent remarkable improvement in energy resolutions from an order of 1 eV to 100 meV made it possible to observe fine structures in U 5f density of states. Furthermore, soft X-ray ARPES becomes available due to the increase of photon flux at beamlines in third generation synchrotron radiation facilities.The technique made it possible to observe bulk band structures and Fermi surfaces of uranium compounds and therefore, the results can be directly compared with theoretical models such as band-structure calculations. The core-level spectra of uranium compounds show a systematic behavior depending on their electronic structures, suggesting that they can be utilized to determine basic physical parameters such as the U 5f-ligand hybridizations or Comlomb interaction between U 5f electrons. It is shown that soft X-ray PES provides unique opportunities to understand the electronic structures of uranium compounds.

  5. Occurrence and concentrations of pharmaceutical compounds in deep groundwater used for public drinking-water supply in California

    Science.gov (United States)

    Fram, Miranda S.; Belitz, Kenneth

    2011-01-01

    Pharmaceutical compounds were detected at low concentrations in 2.3% of 1231 samples of groundwater (median depth to top of screened interval in wells = 61 m) used for public drinking-water supply in California. Samples were collected statewide for the California State Water Resources Control Board's Groundwater Ambient Monitoring and Assessment (GAMA) Program. Of 14 pharmaceutical compounds analyzed, 7 were detected at concentrations greater than or equal to method detection limits: acetaminophen (used as an analgesic, detection frequency 0.32%, maximum concentration 1.89 μg/L), caffeine (stimulant, 0.24%, 0.29 μg/L), carbamazepine (mood stabilizer, 1.5%, 0.42 μg/L), codeine (opioid analgesic, 0.16%, 0.214 μg/L), p-xanthine (caffeine metabolite, 0.08%, 0.12 μg/L), sulfamethoxazole (antibiotic, 0.41%, 0.17 μg/L), and trimethoprim (antibiotic, 0.08%, 0.018 μg/L). Detection frequencies of pesticides (33%), volatile organic compounds not including trihalomethanes (23%), and trihalomethanes (28%) in the same 1231 samples were significantly higher. Median detected concentration of pharmaceutical compounds was similar to those of volatile organic compounds, and higher than that of pesticides. Pharmaceutical compounds were detected in 3.3% of the 855 samples containing modern groundwater (tritium activity > 0.2 TU). Pharmaceutical detections were significantly positively correlated with detections of urban-use herbicides and insecticides, detections of volatile organic compounds, and percentage of urban land use around wells. Groundwater from the Los Angeles metropolitan area had higher detection frequencies of pharmaceuticals and other anthropogenic compounds than groundwater from other areas of the state with similar proportions of urban land use. The higher detection frequencies may reflect that groundwater flow systems in Los Angeles area basins are dominated by engineered recharge and intensive groundwater pumping.

  6. 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

  7. Structural and Electronic Investigations of Complex Intermetallic Compounds

    Energy Technology Data Exchange (ETDEWEB)

    Ko, Hyunjin [Iowa State Univ., Ames, IA (United States)

    2008-01-01

    In solid state chemistry, numerous investigations have been attempted to address the relationships between chemical structure and physical properties. Such questions include: (1) How can we understand the driving forces of the atomic arrangements in complex solids that exhibit interesting chemical and physical properties? (2) How do different elements distribute themselves in a solid-state structure? (3) Can we develop a chemical understanding to predict the effects of valence electron concentration on the structures and magnetic ordering of systems by both experimental and theoretical means? Although these issues are relevant to various compound classes, intermetallic compounds are especially interesting and well suited for a joint experimental and theoretical effort. For intermetallic compounds, the questions listed above are difficult to answer since many of the constituent atoms simply do not crystallize in the same manner as in their separate, elemental structures. Also, theoretical studies suggest that the energy differences between various structural alternatives are small. For example, Al and Ga both belong in the same group on the Periodic Table of Elements and share many similar chemical properties. Al crystallizes in the fcc lattice with 4 atoms per unit cell and Ga crystallizes in an orthorhombic unit cell lattice with 8 atoms per unit cell, which are both fairly simple structures (Figure 1). However, when combined with Mn, which itself has a very complex cubic crystal structure with 58 atoms per unit cell, the resulting intermetallic compounds crystallize in a completely different fashion. At the 1:1 stoichiometry, MnAl forms a very simple tetragonal lattice with two atoms per primitive unit cell, while MnGa crystallizes in a complicated rhombohedral unit cell with 26 atoms within the primitive unit cell. The mechanisms influencing the arrangements of atoms in numerous crystal structures have been studied theoretically by calculating electronic

  8. Random-sign observables nonvanishing upon averaging: Enhancement of weak perturbations and parity nonconservation in compound nuclei

    International Nuclear Information System (INIS)

    Flambaum, V.V.; Gribakin, G.F.

    1994-01-01

    Weak perturbations can be strongly enhanced in many-body systems that have dense spectra of excited states (compound nuclei, rare-earth atoms, molecules, clusters, quantum dots, etc.). Statistical consideration shows that in the case of zero-width states the probability distribution for the effect of the perturbation has an infinitte variance and does not obey the standard central limit theorem, i.e., the probability density for the average effect X=1/n tsum i=1 n x i does not tend to a Gaussian (normal) distribution with variance σ n =σ 1 / √n , where n is the ''number of measurements.'' Since for probability densities of this form [f(x)congruent a/x 2 at large x] the central limit theorem is F n (X)=a/X 2 +π 2 a 2 at n much-gt 1, the breadth of the distribution does not decrease with the increase of n. This means the following. (1) In spite of the random signs of observable effects for different compound states the probability of finding a large average effect for n levels is the same as that for a single-resonance measurements. (2) In some cases one does not need to resolve individual compound resonances and the enhanced value of the effect can be observed in the integral spectrum. This substantially increases the chances to observe statistical enhancement of weak perturbations in different reactions and systems. (3) The average value of parity and time-nonconserving effects in low-energy nucleon scattering cannot be described by a smooth weak optical potential. This ''potential'' would randomly fluctuate as a function of energy, with typical magnitudes much larger than the nucleon-nucleus weak potential. The effect of finite compound-state widths is considered

  9. 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.

  10. 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.

  11. Electronic response of rare-earth magnetic-refrigeration compounds GdX2 (X = Fe and Co)

    Science.gov (United States)

    Bhatt, Samir; Ahuja, Ushma; Kumar, Kishor; Heda, N. L.

    2018-05-01

    We present the Compton profiles (CPs) of rare-earth-transition metal compounds GdX2 (X = Fe and Co) using 740 GBq 137Cs Compton spectrometer. To compare the experimental momentum densities, we have also computed the CPs, electronic band structure, density of states (DOS) and Mulliken population (MP) using linear combination of atomic orbitals (LCAO) method. Local density and generalized gradient approximations within density functional theory (DFT) along with the hybridization of Hartree-Fock and DFT (B3LYP and PBE0) have been considered under the framework of LCAO scheme. It is seen that the LCAO-B3LYP based momentum densities give a better agreement with the experimental data for both the compounds. The energy bands and DOS for both the spin-up and spin-down states show metallic like character of the reported intermetallic compounds. The localization of 3d electrons of Co and Fe has also been discussed in terms of equally normalized CPs and MP data. Discussion on magnetization using LCAO method is also included.

  12. High-field magnetization studies of U2T2Sn (T=Co, Ir, Pt) compounds

    International Nuclear Information System (INIS)

    Prokes, K.; Nakotte, H.; de Boer, F.R.

    1995-01-01

    High-field magnetization measurements at 4.2 K on U 2 T 2 Sn (T = Co, Ir and Pt) compounds have been performed on free and fixed powders up to 57 T. An antiferromagnetic ground state of U 2 Pt 2 Sn is corroborated by a metamagnetic transition at 22 T with very small hysteresis going up and down with field. U 2 Co 2 Sn and U 2 Ir 2 Sn show no metamagnetic transition up to 57 T which is in agreement with the non-magnetic ground state of these compounds. In all cases, the maximum applied field is not sufficient to achieve saturation. The short-pulse measurements presented here are compared with previous results obtained in quasi-static fields up to 35 T

  13. A ranking method for the concurrent learning of compounds with various activity profiles.

    Science.gov (United States)

    Dörr, Alexander; Rosenbaum, Lars; Zell, Andreas

    2015-01-01

    In this study, we present a SVM-based ranking algorithm for the concurrent learning of compounds with different activity profiles and their varying prioritization. To this end, a specific labeling of each compound was elaborated in order to infer virtual screening models against multiple targets. We compared the method with several state-of-the-art SVM classification techniques that are capable of inferring multi-target screening models on three chemical data sets (cytochrome P450s, dehydrogenases, and a trypsin-like protease data set) containing three different biological targets each. The experiments show that ranking-based algorithms show an increased performance for single- and multi-target virtual screening. Moreover, compounds that do not completely fulfill the desired activity profile are still ranked higher than decoys or compounds with an entirely undesired profile, compared to other multi-target SVM methods. SVM-based ranking methods constitute a valuable approach for virtual screening in multi-target drug design. The utilization of such methods is most helpful when dealing with compounds with various activity profiles and the finding of many ligands with an already perfectly matching activity profile is not to be expected.

  14. Thermoelectric properties of quaternary (Bi,Sb)2(Te,Se)3 compound

    International Nuclear Information System (INIS)

    Lu, Pengfei; Li, Yiluan; Wu, Chengjie; Yu, Zhongyuan; Cao, Huawei; Zhang, Xianlong; Cai, Ningning; Zhong, Xuxia; Wang, Shumin

    2014-01-01

    Highlights: • Sb and Se spin–orbit coupling play a key role in the band structure. • Substituted Bi/Sb and Te/Se have a limited impact on the transport coefficients. • n-Type doping will be preferred for quaternary (Bi,Sb) 2 (Te,Se) 3 compound. -- Abstract: The quaternary (Bi,Sb) 2 (Te,Se) 3 compounds are investigated using first-principles study and Boltzmann transport theory. 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. The figure of merit ZT is obtained assuming a constant relaxation time and an averaged thermal conductivity. Our theoretical result agrees well with previous experimental data

  15. Acoustic wave propagation in Ni3 R (R = Mo, Nb, Ta) compounds

    Indian Academy of Sciences (India)

    tile and stable, and contains few defects in the crystal structure in comparison to other compounds. 4. Conclusions. Based on the above discussion it is worthwhile to state that. • Present method to evaluate second-order elastic constants involving many- body interaction potential for hexagonal wurtzite crystal structured ...

  16. 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...

  17. Multicultural Museum Education in and beyond Exhibit: Local and Transnational Synergies from Canada’s Oldest Chinatown

    Directory of Open Access Journals (Sweden)

    Tzu-I Chung

    2015-03-01

     TiF featured a unique centerpiece: a handcrafted lantern created in the 1930s by Victoria’s Chinese Freemasons, one of the oldest Chinese organizations in Canada (Figure 2. It is the oldest-known such lantern in North America and Southeast Asia. ‘Objects,’ as scholars of material culture point out, ‘help [people] to know, understand, and situate [them]selves within the world, both externally and internally’(Clouse 2008: 6. The connections of objects to lived experiences render them historically and culturally meaningful. In tracing the history of the lantern, we consulted both members of the Chinese Freemasons, including elder Jon Joe who helped to identify the names listed on the lantern, and Chinatown’s former residents and descendants, in accordance with the RBCM’s practice of multicultural community outreach and participation.

  18. Radiolytic investigations of solutions of organophosphorus compounds in cyclohexane and benzene

    International Nuclear Information System (INIS)

    Otrebski, W.

    1981-01-01

    Organphosphorus compounds are used in various branches of the chemical industry, but in many cases the reaction mechanisms are not well elucidated and less is known about the intermediates of organophosphines. In order to learn more about these rather complicated processes several organophosphorus compounds were used as model substrates in cyclohexane or benzene solution. The systems have been investigated applying the pulse radiolysis technique and steady-state irradiation methods. As representative solutes were chosen diphenylphosphinous chloride, diphenylmethylphosphine, and triphenylphosphine. By means of the pulse radiolysis it was possible to obtain spectroscopic and kinetic data for characterization of the various transients. The final radiolytic products have been analyzed following steady-state and multipulse radiolysis. Since some of the rate constants were not directly accessible by the applied kinetic method, they have been determined by simulation computation. Thereby the experimental data obtained by pulse radiolysis were used. Based on the kinetic, spectroscopic and computed data as well as on the identification of final products, it was possible to elucidate the reaction mechanism of the diphenylphosphinous chloride/cyclohexane system. As a main primary specie was identified the diphenylphoshorus radical. Its spectral and kinetic data have been determined. The reactions of diphenylmethylphosphine involve the same radical, but only to a lesser extent. The reactions of the primary radiolysis products with triphenylphosphine yield mainly adducts. The results represent a contribution in the field of reaction kinetics of organophosphorus compounds. (author)

  19. Complex Hydride Compounds with Enhanced Hydrogen Storage Capacity

    Energy Technology Data Exchange (ETDEWEB)

    Mosher, Daniel A.; Opalka, Susanne M.; Tang, Xia; Laube, Bruce L.; Brown, Ronald J.; Vanderspurt, Thomas H.; Arsenault, Sarah; Wu, Robert; Strickler, Jamie; Anton, Donald L.; Zidan, Ragaiy; Berseth, Polly

    2008-02-18

    The United Technologies Research Center (UTRC), in collaboration with major partners Albemarle Corporation (Albemarle) and the Savannah River National Laboratory (SRNL), conducted research to discover new hydride materials for the storage of hydrogen having on-board reversibility and a target gravimetric capacity of ≥ 7.5 weight percent (wt %). When integrated into a system with a reasonable efficiency of 60% (mass of hydride / total mass), this target material would produce a system gravimetric capacity of ≥ 4.5 wt %, consistent with the DOE 2007 target. The approach established for the project combined first principles modeling (FPM - UTRC) with multiple synthesis methods: Solid State Processing (SSP - UTRC), Solution Based Processing (SBP - Albemarle) and Molten State Processing (MSP - SRNL). In the search for novel compounds, each of these methods has advantages and disadvantages; by combining them, the potential for success was increased. During the project, UTRC refined its FPM framework which includes ground state (0 Kelvin) structural determinations, elevated temperature thermodynamic predictions and thermodynamic / phase diagram calculations. This modeling was used both to precede synthesis in a virtual search for new compounds and after initial synthesis to examine reaction details and options for modifications including co-reactant additions. The SSP synthesis method involved high energy ball milling which was simple, efficient for small batches and has proven effective for other storage material compositions. The SBP method produced very homogeneous chemical reactions, some of which cannot be performed via solid state routes, and would be the preferred approach for large scale production. The MSP technique is similar to the SSP method, but involves higher temperature and hydrogen pressure conditions to achieve greater species mobility. During the initial phases of the project, the focus was on higher order alanate complexes in the phase space

  20. Synthesis, crystal structure, and photoluminescence of a lithium isothiocyanate compound with 18-crown-6

    Energy Technology Data Exchange (ETDEWEB)

    Fu, Shan; Fu, Bo; Zhao, Zhen; Liu, Xi [Chongqing Normal Univ. (China). Chongqing Key Lab. of Inorganic Functional Materials

    2018-04-01

    The investigation of the supramolecular interactions between the lithium isothiocyanate salt and 18-crown-6 (18C-6) in commercial tetrahydrofuran leads to the formation of a lithium compound, LiNCS(H{sub 2}O)(18C-6) (1). In the crystal structure the asymmetric unit contains two similar LiNCS(H{sub 2}O)(18C-6) molecules. Solid-state photoluminescence experiments have shown that compound 1 emits violet luminescence, and its possible emission mechanism was investigated in detail based on theoretical calculations.

  1. The Bi{sup 3+} 6s and 6p electron binding energies in relation to the chemical environment of inorganic compounds

    Energy Technology Data Exchange (ETDEWEB)

    Awater, Roy H.P., E-mail: R.H.P.Awater@tudelft.nl; Dorenbos, Pieter

    2017-04-15

    This paper provides an overview and interpretation of the spectroscopic data of the Bi{sup 3+} activator ion in 117 different inorganic compounds. The energies of the metal-to-metal charge transfer and the interconfigurational transitions of Bi{sup 3+} were collected from the archival literature. Using these energies, in combination with the electron binding energies in the host conduction and valence band, the binding energies in the 6s ground state and 6p excited state were determined relative to the vacuum level. The locations of the Bi{sup 3+} energy levels within the forbidden gap of the host compound provides valuable insight in the physical properties of the Bi{sup 3+} activator ion in different compounds.

  2. The lattice dynamical studies of rare earth compounds: electron-phonon interactions

    International Nuclear Information System (INIS)

    Jha, Prafulla K.; Sanyal, Sankar P.; Singh, R.K.

    2002-01-01

    During the last two decades chalcogenides and pnictides of rare earth (RE) atoms have drawn considerable attention of the solid state physicists because of their peculiar electronic, magnetic, optical and phonon properties. Some of these compounds e.g. sulphides and selenides of cerium (Ce), samarium (Sm), yttrium (Y), ytterbium (Yb), europium (Eu) and thulium (Tm) and their alloys show nonintegral valence (between 2 and 3), arising due to f-d electron hybridization at ambient temperature and pressure. The rare earth mixed valence compounds (MVC) reviewed in this article crystallize in simple cubic structure. Most of these compounds show the existence of strong electron-phonon coupling at half way to the zone boundary. This fact manifests itself through softening of the longitudinal acoustic mode, negative value of elastic constant C 12 etc. The purpose of this contribution is to review some of the recent activities in the fields of lattice dynamics and allied properties of rare earth compounds. The present article is primarily devoted to review the effect of electron-phonon interactions on the dynamical properties of rare earth compounds by using the lattice dynamical model theories based on charged density deformations and long-range many body forces. While the long range charge transfer effect arises due to f-d hybridization of nearly degenerate 4f-5d bands of rare earth ions, the density deformation comes into the picture of breathing motion of electron shells. These effects of charge transfer and charge density deformation when considered in the lattice dynamical models namely the three body force rigid ion model (TRM) and breathing shell model (BSM) are quite successful in explaining the phonon anomalies in these compounds and undoubtedly unraveled many important physical process governing the phonon anomalies in rare earth compounds

  3. Reaction diffusion and solid state chemical kinetics handbook

    CERN Document Server

    Dybkov, V I

    2010-01-01

    This monograph deals with a physico-chemical approach to the problem of the solid-state growth of chemical compound layers and reaction-diffusion in binary heterogeneous systems formed by two solids; as well as a solid with a liquid or a gas. It is explained why the number of compound layers growing at the interface between the original phases is usually much lower than the number of chemical compounds in the phase diagram of a given binary system. For example, of the eight intermetallic compounds which exist in the aluminium-zirconium binary system, only ZrAl3 was found to grow as a separate

  4. Occurrence and concentrations of pharmaceutical compounds in groundwater used for public drinking-water supply in California

    Energy Technology Data Exchange (ETDEWEB)

    Fram, Miranda S., E-mail: mfram@usgs.gov [U.S. Geological Survey California Water Science Center, 6000 J Street, Placer Hall, Sacramento, CA 95819-6129 (United States); Belitz, Kenneth, E-mail: kbelitz@usgs.gov [U.S. Geological Survey California Water Science Center, 4165 Spruance Road, Suite 200, San Diego, CA 95101-0812 (United States)

    2011-08-15

    Pharmaceutical compounds were detected at low concentrations in 2.3% of 1231 samples of groundwater (median depth to top of screened interval in wells = 61 m) used for public drinking-water supply in California. Samples were collected statewide for the California State Water Resources Control Board's Groundwater Ambient Monitoring and Assessment (GAMA) Program. Of 14 pharmaceutical compounds analyzed, 7 were detected at concentrations greater than or equal to method detection limits: acetaminophen (used as an analgesic, detection frequency 0.32%, maximum concentration 1.89 {mu}g/L), caffeine (stimulant, 0.24%, 0.29 {mu}g/L), carbamazepine (mood stabilizer, 1.5%, 0.42 {mu}g/L), codeine (opioid analgesic, 0.16%, 0.214 {mu}g/L), p-xanthine (caffeine metabolite, 0.08%, 0.12 {mu}g/L), sulfamethoxazole (antibiotic, 0.41%, 0.17 {mu}g/L), and trimethoprim (antibiotic, 0.08%, 0.018 {mu}g/L). Detection frequencies of pesticides (33%), volatile organic compounds not including trihalomethanes (23%), and trihalomethanes (28%) in the same 1231 samples were significantly higher. Median detected concentration of pharmaceutical compounds was similar to those of volatile organic compounds, and higher than that of pesticides. Pharmaceutical compounds were detected in 3.3% of the 855 samples containing modern groundwater (tritium activity > 0.2 TU). Pharmaceutical detections were significantly positively correlated with detections of urban-use herbicides and insecticides, detections of volatile organic compounds, and percentage of urban land use around wells. Groundwater from the Los Angeles metropolitan area had higher detection frequencies of pharmaceuticals and other anthropogenic compounds than groundwater from other areas of State with similar proportions of urban land use. The higher detection frequencies may reflect that groundwater flow systems in Los Angeles area basins are dominated by engineered recharge and intensive groundwater pumping. - Highlights: {yields

  5. Occurrence and concentrations of pharmaceutical compounds in groundwater used for public drinking-water supply in California

    International Nuclear Information System (INIS)

    Fram, Miranda S.; Belitz, Kenneth

    2011-01-01

    Pharmaceutical compounds were detected at low concentrations in 2.3% of 1231 samples of groundwater (median depth to top of screened interval in wells = 61 m) used for public drinking-water supply in California. Samples were collected statewide for the California State Water Resources Control Board's Groundwater Ambient Monitoring and Assessment (GAMA) Program. Of 14 pharmaceutical compounds analyzed, 7 were detected at concentrations greater than or equal to method detection limits: acetaminophen (used as an analgesic, detection frequency 0.32%, maximum concentration 1.89 μg/L), caffeine (stimulant, 0.24%, 0.29 μg/L), carbamazepine (mood stabilizer, 1.5%, 0.42 μg/L), codeine (opioid analgesic, 0.16%, 0.214 μg/L), p-xanthine (caffeine metabolite, 0.08%, 0.12 μg/L), sulfamethoxazole (antibiotic, 0.41%, 0.17 μg/L), and trimethoprim (antibiotic, 0.08%, 0.018 μg/L). Detection frequencies of pesticides (33%), volatile organic compounds not including trihalomethanes (23%), and trihalomethanes (28%) in the same 1231 samples were significantly higher. Median detected concentration of pharmaceutical compounds was similar to those of volatile organic compounds, and higher than that of pesticides. Pharmaceutical compounds were detected in 3.3% of the 855 samples containing modern groundwater (tritium activity > 0.2 TU). Pharmaceutical detections were significantly positively correlated with detections of urban-use herbicides and insecticides, detections of volatile organic compounds, and percentage of urban land use around wells. Groundwater from the Los Angeles metropolitan area had higher detection frequencies of pharmaceuticals and other anthropogenic compounds than groundwater from other areas of State with similar proportions of urban land use. The higher detection frequencies may reflect that groundwater flow systems in Los Angeles area basins are dominated by engineered recharge and intensive groundwater pumping. - Highlights: → Pharmaceuticals analyzed in

  6. 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.

  7. Inclusion Compound Based Approach to Arrays of Artificial Dipolar Molecular Rotors: Bulk Inclusions

    Czech Academy of Sciences Publication Activity Database

    Kobr, L.; Zhao, K.; Shen, Y.; Polívková, Kateřina; Shoemaker, R. K.; Clark, N.A.; Price, J. C.; Rogers, C. T.; Michl, Josef

    2013-01-01

    Roč. 78, č. 5 (2013), s. 1768-1777 ISSN 0022-3263 EU Projects: European Commission(XE) 227756 - DIPOLAR ROTOR ARRAY Institutional support: RVO:61388963 Keywords : solid-state dynamics * phosphonitrilic compounds * aromatic nanochannels * triethylamine Subject RIV: CC - Organic Chemistry Impact factor: 4.638, year: 2013

  8. NMR Evidence for the Topologically Nontrivial Nature in a Family of Half-Heusler Compounds

    KAUST Repository

    Zhang, Xiaoming

    2016-03-16

    Spin-orbit coupling (SOC) is expected to partly determine the topologically nontrivial electronic structure of heavy half-Heusler ternary compounds. However, to date, attempts to experimentally observe either the strength of SOC or how it modifies the bulk band structure have been unsuccessful. By using bulk-sensitive nuclear magnetic resonance (NMR) spectroscopy combined with first-principles calculations, we reveal that 209Bi NMR isotropic shifts scale with relativity in terms of the strength of SOC and average atomic numbers, indicating strong relativistic effects on NMR parameters. According to first-principles calculations, we further claim that nuclear magnetic shieldings from relativistic p1/2 states and paramagnetic contributions from low-lying unoccupied p3/2 states are both sensitive to the details of band structures tuned by relativity, which explains why the hidden relativistic effects on band structure can be revealed by 209Bi NMR isotropic shifts in topologically nontrivial half-Heusler compounds. Used in complement to surface-sensitive methods, such as angle resolved photon electron spectroscopy and scanning tunneling spectroscopy, NMR can provide valuable information on bulk electronic states.

  9. NMR Evidence for the Topologically Nontrivial Nature in a Family of Half-Heusler Compounds

    KAUST Repository

    Zhang, Xiaoming; Hou, Zhipeng; Wang, Yue; Xu, Guizhou; Shi, Chenglong; Liu, EnKe; Xi, Xuekui; Wang, Wenhong; Wu, Guangheng; Zhang, Xixiang

    2016-01-01

    Spin-orbit coupling (SOC) is expected to partly determine the topologically nontrivial electronic structure of heavy half-Heusler ternary compounds. However, to date, attempts to experimentally observe either the strength of SOC or how it modifies the bulk band structure have been unsuccessful. By using bulk-sensitive nuclear magnetic resonance (NMR) spectroscopy combined with first-principles calculations, we reveal that 209Bi NMR isotropic shifts scale with relativity in terms of the strength of SOC and average atomic numbers, indicating strong relativistic effects on NMR parameters. According to first-principles calculations, we further claim that nuclear magnetic shieldings from relativistic p1/2 states and paramagnetic contributions from low-lying unoccupied p3/2 states are both sensitive to the details of band structures tuned by relativity, which explains why the hidden relativistic effects on band structure can be revealed by 209Bi NMR isotropic shifts in topologically nontrivial half-Heusler compounds. Used in complement to surface-sensitive methods, such as angle resolved photon electron spectroscopy and scanning tunneling spectroscopy, NMR can provide valuable information on bulk electronic states.

  10. Different magnetic behaviour of the Kondo compounds Al3Ce and Al11Ce3

    International Nuclear Information System (INIS)

    Benoit, A.; Flouquet, J.; Palleau, J.; Buevoz, J.L.

    1979-08-01

    Neutron diffraction experiments on the Al 3 Ce and Al 11 Ce 3 compounds have been performed on the multidetector of the I.L.L. high flux reactor. No magnetic structure has been detected on the Al 3 Ce compound down to 20 mK. This confirms the non magnetic ground state of Al 3 Ce. For Al 11 Ce 3 , two magnetic structures have been observed: a ferromagnetic one at 4.2 K and an antiferromagnetic one at 2 K. The antiferromagnetic structure, which corresponds to a propagation vector (0,0,1/3), implies a strong reduction of the magnetic moment of determined sites; this reflects the Kondo character of the compounds

  11. 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

  12. 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.

  13. 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.

  14. 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...

  15. Perspectives from ab-initio and tight-binding: Applications to transition metal compounds and superlattices

    Science.gov (United States)

    Venkataraman, Vijay Shankar

    The experimental and theoretical study of transition metal compounds have occupied condensed matter physicists for the best part of the last century. The rich variety of physical behaviour exhibited by these compounds owes its origin to the subtle balance of the energy scales at play for the d orbitals. In this thesis, we study three different systems comprised of transition metal atoms from the third, the fourth, and the fifth group of the periodic table using a combination of ab-initio density functional theory (DFT) computations and effective tight-binding models for the electronic properties. We first consider the electronic properties of artificially fabricated perovskite superlattices of the form [(SrIrO3)m / SrTiO3] with integer m denoting the number of layers of SrIrO3. After discussing the results of experiments undertaken by our collaborators, we present the results of our DFT calculations and build tight-binding models for the m = 1 and m = 2 superlattices. The active ingredient is found to be the 5d orbitals with significant spin-orbit coupling. We then study the energies of magnetic ground states within DFT and compare and contrast our results with those obtained for the bulk Ruddlesden-Popper iridates. Together with experimental measurements, our results suggest that these superlattices are an exciting venue to probe the magnetism and metal-insulator transitions that occur from the intricate balance of the spin-orbit coupling and electron interactions, as has been reported for their bulk counterparts. Next, we consider alpha-RuCl3, a honeycomb lattice compound. We first show using DFT calculations in conjunction with experiments performed by our collaborators, how spin-orbit coupling in the 4d orbitals of Ru is essential to understand the insulating state realized in this compound. Then, in the latter half of the chapter, we study the magnetic ground states of a two-dimensional analogue of alpha-RuCl3 in weak and strong-coupling regimes obtained from

  16. 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

  17. 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

  18. 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.

  19. 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.

  20. Structure and Hyperfine Interactions in Aurivillius Bi9Ti3Fe5O27 Conventionally Sintered Compound

    International Nuclear Information System (INIS)

    Mazurek, M.; Lisinska-Czekaj, A.; Surowiec, Z.; Jartych, E.; Czekaj, D.

    2011-01-01

    The structure and hyperfine interactions in the Bi 9 Ti 3 Fe 5 O 27 Aurivillius compound were studied using X-ray diffraction and Moessbauer spectroscopy. Samples were prepared by the conventional solid-state sintering method at various temperatures. An X-ray diffraction analysis proved that the sintered compounds formed single phases at temperature above 993 K. Moessbauer measurements have been carried out at room and liquid nitrogen temperatures. Room-temperature Moessbauer spectrum of the Bi 9 Ti 3 Fe 5 O 27 compound confirmed its paramagnetic properties. However, low temperature measurements revealed the additional paramagnetic phase besides the antiferromagnetic one. (authors)

  1. Bioactive Compounds of Blueberries: Post-Harvest Factors Influencing the Nutritional Value of Products.

    Science.gov (United States)

    Michalska, Anna; Łysiak, Grzegorz

    2015-08-10

    Blueberries, besides having commonly-recognized taste properties, are also a valuable source of health-promoting bioactive compounds. For several decades, blueberries have gained in popularity all over the world, and recent years have seen not only an increase in fresh consumption, but also in the importance of blueberries for the processing industry. Blueberry processing mostly consists of freezing and juicing. Recently, more attention has been drawn to dewatering and drying, which are promising areas for developing novel blueberry products. Processing affects each biologically-active compound in a different way, and it is still unknown what changes those compounds undergo at the molecular level after the application of different processing technologies. This work presents the most recent state of knowledge about the pre-treatment and processing methods applied to blueberries and their influence on the content of biologically-active compounds. The presentation of methods is preceded by a brief overview of the characteristics of the blueberry species, a description of the chemical composition of the fruit and a short note about the main growing areas, production volumes and the management of fruit crops.

  2. Deep inelastic scattering in formalism with wave functions of rest compound system

    International Nuclear Information System (INIS)

    Sisakyan, A.N.; Kvinikhidze, A.N.; Khvedelidze, A.M.

    1987-01-01

    One of the most simple examples of interaction of compound systems: deep inelastic scattering of the point particle on hadron is considered. By choosing the compound particle (hadron) rest system the corresponding cross section is expressed in terms of more usual from the view point of nonrelativistic quantum mechanics wave functions of the rest bound state. A new variant of structure functions expansion into a series in terms of the coupling constant is suggested. Each therm of a series due to correct account of the energy conservation law in any order of the perturbation theory possess spectral property. Analysis in QCD shows that in the bound state rest system (P-vector=0) the pulse approximation though satisfies the requirements of scale invariance is insufficient for correct description of elastic limit x Bj →1 by contrast to P Z →∞ system. It means that parton model is equivalent to pulse approximation only in P Z →∞ system. To obtain the leading in asymptotic region x Bj →1 terms account of component interaction in the finite state is necessary. The simplicity and physical evidence of the wave functions are attained due to the seeming complication of calculations according to the perturbation theory

  3. 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...

  4. Structural studies of novel coordination compounds run in the Nesmeyanov Institute of Organoelement Compounds, Russian Academy of Sciences

    International Nuclear Information System (INIS)

    Antipin, M.Yu.; Starikova, Z.A.; Yanovskij, A.I.; Dolgushin, F.M.; Lysenko, K.A.; Khrustalev, V.N.; Vorontsov, I.I.; Korlyukov, A.A.; Andreev, G.B.; Neretin, I.S.

    2001-01-01

    The results of the investigation into structural chemistry of coordination compounds taking place in the X-ray Laboratory of the Nesmeyanov Institute of Organoelement Compounds, Russian Academy of Sciences are given. The review gives an idea on the tendencies to structural researches of complexes of varying categories of coordination compounds, among which are lithium, strontium, cadmium compounds, rare earth compounds, transuranium compounds, transition element compounds, carboranes, fullerenes. An attempt was made to prove the structure and reveal the novel structural and crystallochemical regularities in the studied series of relative compounds. The outlooks for the following progress of studies on this field are determined [ru

  5. Rechargeable quasi-solid state lithium battery with organic crystalline cathode

    Science.gov (United States)

    Hanyu, Yuki; Honma, Itaru

    2012-01-01

    Utilization of metal-free low-cost high-capacity organic cathodes for lithium batteries has been a long-standing goal, but critical cyclability problems owing to dissolution of active materials into the electrolyte have been an inevitable obstacle. For practical utilisation of numerous cathode-active compounds proposed over the past decades, a novel battery construction strategy is required. We have designed a solid state cell that accommodates organic cathodic reactions in solid phase. The cell was successful at achieving high capacity exceeding 200 mAh/g with excellent cycleability. Further investigations confirmed that our strategy is effective for numerous other redox-active organic compounds. This implies hundreds of compounds dismissed before due to low cycleability would worth a re-visit under solid state design. PMID:22693655

  6. Mechanistic Aspects of the Thermal Decomposition of Dicyclopentadienyltitanium(IV)diaryl Compounds

    NARCIS (Netherlands)

    Boekel, C.P.; Teuben, J.H.; Liefde Meijer, H.J. de

    1975-01-01

    The thermal decomposition of a number of compounds Cp2TiR2 (R = aryl) was studied in the solid state and in various solvents. A first-order reaction was observed and activation energies of 20-30 kcal mol-1 were found depending on the nature of R. The activation energy for Cp2Ti(C6H5)2 (20-22 kcal

  7. 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.

  8. Synthesis, Crystal and Electronic Structure of the Quaternary Magnetic EuTAl4Si2 (T = Rh and Ir) Compounds

    Energy Technology Data Exchange (ETDEWEB)

    Maurya, Arvind [Tata Institute of Fundamental Research; Thamizhavel, Arumugam [Tata Institute of Fundamental Research; Provino, Alessia [University of Genova; Pani, Marcella [University of Genova; Manfrinetti, Pietro [University of Genova; Paudyal, Durga [Ames Laboratory; Dhar, Sudesh Kumar [Tata Institute of Fundamental Research

    2014-01-22

    Single crystals of the quaternary europium compounds EuRhAl4Si2 and EuIrAl4Si2 were synthesized by using the Al–Si binary eutectic as a flux. The structure of the two quaternary compounds has been refined by single crystal X-ray diffraction. Both compounds are stoichiometric and adopt an ordered derivative of the ternary KCu4S3 structure type (tetragonal tP8, P4/mmm). The two compounds reported here represent the first example of a quaternary and truly stoichiometric 1:1:4:2 phase crystallizing with this structure type. In light of our present results, the structure of the BaMg4Si3 compound given in literature as representing a new prototype is actually isotypic with the KCu4S3 structure. Local spin density approximation including the Hubbard U parameter (LSDA + U) calculations show that Eu ions are in the divalent state, with a significant hybridization between the Eu 5d, Rh (Ir) 4d (5d), Si 3p and Al 3p states. Magnetic susceptibility measured along the [001] direction confirms the divalent nature of the Eu ions in EuRhAl4Si2 and EuIrAl4Si2, which order magnetically near 11 and 15 K, respectively.

  9. Structural, Electronic and Elastic Properties of Heavy Fermion YbTM2 (TM= Ir and Pt) Laves Phase Compounds

    Science.gov (United States)

    Pawar, H.; Shugani, M.; Aynyas, M.; Sanyal, S. P.

    2018-02-01

    The structural, electronic and elastic properties of YbTM2 (TM = Ir and Pt) Laves phase intermetallic compounds which crystallize in cubic (MgCu2-type) structure, have been investigated using ab-initio full potential linearized augmented plane wave (FP-LAPW) method with LDA and LDA+U approximation. The calculated ground state properties such as lattice parameter (a0), bulk modulus (B) and its pressure derivative (B‧) are in good agreement with available experimental and theoretical data. The electronic properties are analyzed from band structures and density of states. Elastic constants are predicted first time for these compounds which obey the stability criteria for cubic system.

  10. Half-metallic ferromagnetism in full-Heusler compounds ACaX2 (A = K and Rb; X = N and O)

    International Nuclear Information System (INIS)

    Umamaheswari, R.; Vijayalakshmi, D.; Yogeswari, M.; Kalpana, G.

    2014-01-01

    Electronic structure and magnetic properties of hypothetical ACaX 2 (A = K and Rb; X= N and O) compounds in full-Heusler phase have been investigated based on density functional theory (DFT) within the local density approximation (LDA). The electronic band structures and density of states of these compounds show that the spin-down electrons have metallic, and the spin-up electrons have a semi conducting gap resulting in stable half-metallic ferromagnetic behaviour. The strong spin polarization of 2p states of N and O atoms is found to be the origin of ferromagnetism which results in a total magnetic moment of 3 μB and 1 μB respectively

  11. 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®.

  12. 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

  13. Quality-control analytical methods: endotoxins: essential testing for pyrogens in the compounding laboratory, part 3: a simplified endotoxin test method for compounded sterile preparations.

    Science.gov (United States)

    Cooper, James F

    2011-01-01

    The first two parts of the IJPC series on endotoxin testing explained the nature of pyrogenic contamination and described various Limulus amebocyte lysate methods for detecting and measuring endotoxin levels with the bacterial endotoxin test described in the United States Pharmacopeia. This third article in that series describes the endotoxin test that is simplest to permorm for pharmacists who prefer to conduct an endotoxin assa at the time of compounding in the pharmacy setting.

  14. Incineration method for plutonium recovery from alpha contaminated organic compounds

    International Nuclear Information System (INIS)

    Yahata, Taneaki; Abe, Jiro; Kato, Michiharu; Kurihara, Masayoshi

    1985-01-01

    An incineration method for plutonium recovery from α contaminated organic compounds in a flow of controlled oxygen gas is stated. The species of such thermal decomposition products as hydrocarbons, free carbon, carbon monoxide and hydrogen were determined by mass spectrography. The mixture of the products which are the source of tar or soot was converted to CO 2 and H 2 O in contact with copper oxide catalyst without flaming. This incineration method is composed of two stages. The first stage is the decomposition of organic compounds in the streams of gas mixtures containing oxygen in low ratios. The second stage is the incineration of the decomposition products by catalytic reaction in the streams of gas with higher oxygen ratios. Plutonium was recovered as the form of plutonium dioxide from the incineration residues of the first stage. The behavior of oil was examined as a representative of liquid organic compounds. It was found to evaporate below ca. 500 0 C, but was completely incinerated by the catalytic reaction with copper oxide catalyst in the flow of gas with controlled oxygen amount and was changed to CO 2 and H 2 O. (author)

  15. Passive sampling in regulatory chemical monitoring of nonpolar organic compounds in the aquatic environment

    NARCIS (Netherlands)

    Booij, K.; Robinson, C.D.; Burgess, R.M.; Mayer, P.; Roberts, C.A.; Ahrens, L.; Allan, I.J.; Brant, J.; Jones, L.; Kraus, U.R.; Larsen, M.M.; Lepom, P.; Petersen, J.; Pröfrock, D.; Roose, P.; Schäfer, S.; Smedes, F.; Tixier, C.; Vorkamp, K.; Whitehouse, P.

    2016-01-01

    We reviewed compliance monitoring requirements in the EuropeanUnion, the United States, and the Oslo-Paris Convention for the protection of themarine environment of the North-East Atlantic, and evaluated if these are met bypassive sampling methods for nonpolar compounds. The strengths

  16. Calculation of the spectrum of {gamma} rays connecting superdeformed and normally deformed nuclear states

    Energy Technology Data Exchange (ETDEWEB)

    Dossing, T.; Khoo, T.L.; Lauritsen, T. [and others

    1995-08-01

    The decay out of superdeformed states occurs by coupling to compound nuclear states of normal deformation. The coupling is very weak, resulting in mixing of the SD state with one or two normal compound states. With a high energy available for decay, a statistical spectrum ensues. The shape of this statistical spectrum contains information on the level densities of the excited states below the SD level. The level densities are sensitively affected by the pair correlations. Thus decay-out of a SD state (which presents us with a means to start a statistical cascade from a highly-excited sharp state) provides a method for investigating the reduction of pairing with increasing thermal excitation energy.

  17. 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...

  18. Low-temperature heat-capacity study of the U6X (XequivalentMn, Fe, Co, Ni) compounds

    International Nuclear Information System (INIS)

    Yang, K.N.; Maple, M.B.; DeLong, L.E.; Huber, J.G.; Junod, A.

    1989-01-01

    Measurements of the superconducting- and normal-state heat capacity of U 6 X (XequivalentMn, Fe, Co, Ni) compounds have been performed over a temperature range 1 Kapprox. 6 X compounds have strong renormalizations of the free-carrier effective mass m/sup */ in the range 10m/sub e/approx. 6 X heat capacities suggest the presence of high densities of low-energy excitations of undetermined nature. The results are analyzed in terms of models appropriate to heavy-fermion liquids, and anisotropic or strong-coupled superconductors. The U 6 X compounds form a link between relatively low-m/sup */, high-transition-temperature A15 compounds and the more extreme examples of heavy-fermion superconductors such as UBe/sub 13/, UPt 3 , and CeCuSi 2 for which m/sup */∼10 2 m/sub e/. .AE

  19. Metamagnetic behaviour of La1-xGdxFe12B6 compounds

    International Nuclear Information System (INIS)

    Li, Q.A.; Groot, C.H. de; Boer, F.R. de; Buschow, K.H.J.

    1997-01-01

    The magnetic properties of compounds of the type La 1-x Gd x Fe 12 B 6 have been studied in high magnetic fields at 4.2 K. LaFe 12 B 6 is a compound with Fe moments close to magnetic instability and values not larger than about 0.5 μ B . Substitution of Gd for part of the La and application of high magnetic fields enhance the Fe moments to values in excess of 2 μ B . The high-moment state in LaFe 12 B 6 is reached via a metamagnetic transition. This first-order transition is associated with an extremely large hysteresis of nearly 7 T at 4.2 K. (orig.)

  20. Electronic and magnetic properties of rare earth-Sn3 compounds for 119Sn Moessbauer spectroscopy

    International Nuclear Information System (INIS)

    Sanchez, J.P.; Friedt, J.M.; Shenoy, G.K.; Percheron, A.; Achard, J.C.

    1975-01-01

    The electronic and magnetic properties of RESn 3 compounds (RE=La, Ce, Pr, Nd, Sm, Eu, Gd, Yb) have been investigated using the 23.8keV Moessbauer resonance of 119 Sn. The isomer shifts and quadrupole interactions are nearly the same in all compounds. The transferred magnetic fields and their orientation with respect to the principal electric field gradient axis at various Sn sites in the magnetically ordered state of RESn 3 (RE=Pr, Nd, Sm, Eu, Gd) have been utilized to get information about the magnetic structure. An evaluation of the transferred fields in PrSn 3 and NdSn 3 shows that the spin density at the Sn nucleus is nearly the same in both compounds [fr

  1. 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.

  2. 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

  3. Magnetocaloric effects in Mn1.35Fe0.65P1−xSix compounds

    International Nuclear Information System (INIS)

    Geng Yao-Xiang; Tegus O; Bi Li-Ge

    2012-01-01

    The structural and magnetocaloric properties of Mn 1.35 Fe 0.65 P 1−x Si x compounds are investigated. The Si-substituted compounds, Mn 1.35 Fe 0.65 P 1−x Si x with x = 0.52, 0.54, 0.55, 0.56, and 0.57, are prepared by high-energy ball milling and the solid-state reaction. The X-ray diffraction shows that the compounds crystallize into the Fe 2 P-type hexagonal structure with space group P6-bar2m. The magnetic measurements show that the Curie temperature of the compound increases from 253 K for x = 0.52 to 296 K for x = 0.56. The isothermal magnetic-entropy change of the Mn 1.35 Fe 0.65 P 1−x Si x compound decreases with the Si content increasing. The maximal value of the magnetic-entropy change is about 7.0 J/kg·K in the Mn 1.35 Fe 0.65 P 0.48 Si 0.52 compound with a field change of 1.5 T. The compound quenched in water possesses a larger magnetic entropy change and a smaller thermal hysteresis than the non-quenched samples. The thermal hysteresis of the compound is less than 3.5 K. The maximum adiabatic temperature change is about 1.4 K in the Mn 1.35 Fe 0.65 P 0.45 Si 0.55 compound with a field change of 1.48 T. (condensed matter: electronic structure, electrical, magnetic, and optical properties)

  4. Nucleon-nucleon interaction in the quark-compound-bag model

    International Nuclear Information System (INIS)

    Simonov, Yu.A.

    1982-01-01

    The NN potential is investigated in the framework of the quark-compound-bag model. The cluster decomposition of the total six-quark wave function are obtained. The resulting potential is nonlocal and energy dependent with coefficients which can be derived both phenomenologically and theoretically. Stringent conditions exist for those coefficients. As an example the NN potentials for the 3 S 1 and 1 S 0 states are presented. The properties of the wave functions are studied both in the configurational and momentum space

  5. 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.

  6. 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.

  7. Tris[bis(trimethylsilyl)amido]uranium: Compounds with tri-, tetra-, and penta-valent uranium

    International Nuclear Information System (INIS)

    Stewart, J.L.

    1988-04-01

    This trivalent uranium compound, serves as a precursor to new tri-, tetra-, and penta-valent uranium species. The geometry about the U atom is pyramidal. Lewis-base coordination compounds of U[N(SiMe 3 ) 2 ] 3 with a one-to-one- ratio of Lewis base to uranium were isolated with pyridine, 4-dimethylamino-pyridine, 2,6-Me 2 -C 6 H 3 NC, and TPO. Two-to-one coordination compounds were obtained with t-butylnitrile and t-butylisocyanide. Compounds with more sterically demanding bases could not be isolated. The expected decrease in U-N(SiMe 3 ) 2 bond length with increase in oxidation state is not observed. Reaction of ClU[N(SiMe 3 ) 2 ] 3 and Li[NH(p-tolyl)] yields the uranium (IV) dimer, U 2 [N(SiMe 3 ) 2 ] 4 [μ-N(p-tolyl)] 2 . Reaction with 2,4,6-triemethylaniline produces a dimer. Analogous substitution products could not be obtained with aniline or p-toluidine. t-Bu 3 CO/sup /minus//, t-Bu 2 CHO/sup /minus//, and t-Bu 3 SiO/sup /minus// are used to synthesize new tetravalent, mononuclear uranium compounds. Reaction of ClU(tritox) 3 with alkyllithium reagents leads to isolation of RU(tritox) 3 . The reaction of U(ditox) 4 with MeLi affords the addition product U(ditox) 4 (Me)Li, whose crystal structure is described. Preparation of uranium silox compounds is reported. 97 refs., 26 figs., 39 tabs

  8. X-ray absorption spectroscopy on high-temperature superconductors and related compounds

    International Nuclear Information System (INIS)

    Pellegrin, E.J.H.A.

    1995-07-01

    The electronic structure of the cuprate high-temperature superconductors La 2-x Sr x CuO 4+δ , Tl 2 Ba 2 CaCu 2 O 8 and Tl 2 Ba 2 Ca 2 Cu 3 O 10 has been investigated using polarization-dependent near-edge X-ray absorption fine structure spectroscopy (NEXAFS). In addition, La 2-x Sr x NiO 4+δ has been included in the actual study as an isostructural analogue to the La 2-x Sr x CuO 4+δ system. It appears that the electronic structure of these compounds corresponds to that of a p-type doped charge-transfer insulator including electron-electron interactions on the Cu(Ni) sites and a strong hybridization between Cu(Ni) and O atoms. It is concluded that the low-energy excitations in these compounds can be described on the basis of an effective one-band Mott-Hubbard model. The polarization-dependence of the above spectra gives evidence for the strong in-plane character of the intrinsic and the doped holes. The small amount and the doping-dependence of the out-of-plane character of these charge carriers rule out models for a microscopic mechanism of superconductivity based on a large amount of hole states in the corresponding Apex-O2p z /Cu3d 3z 2 -r 2 orbitals. On the other hand, the reduction of this anisotropy in the overdoped compounds together with similar findings in the macroscopic properties seems to indicate a detrimental influence of non-planar orbitals on the superconducting properties. The differences in the energetic ordering and atomic character of the states close to the Fermi level between the undoped compounds La 2 CuO 4+δ , La 2 NiO 4+δ , and NiO have been determined from the NEXAFS data. It is found that these differences can be explained by the different size of the tetragonal crystal field splitting E Z compared to that of the Hund's rule interaction J H in these systems. This gives evidence for the high-spin d 8 ground state of the undoped nickelates (i.e. J H >E Z ). It is suggested that the polarons in La 2-x Sr x NiO 4+δ can be seen as non

  9. 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...

  10. An XPS study on ruthenium compounds and catalysts

    International Nuclear Information System (INIS)

    Bianchi, C.L.; Ragaini, V.; Cattania, M.G.

    1991-01-01

    The binding energy (BE) of the relevant peaks of several ruthenium compounds have been measured with a monochromatic small spot XPS. The BE of the 3d 5/2 level of ruthenium is in the range 279.91-282.88 eV. The variation of BE is due either to the variation of the oxidation state or to the different counter-ion. A series of catalysts with varying amounts of ruthenium supported on alumina and prepared using different precursors was also analyzed. The presence of more ruthenium species other than the metal was observed. On the basis of the values previously obtained on unsupported compounds, the species with higher BE were assigned to oxides. On all the samples prepared from RuCl 3 , an additional peak at a very high BE (283.79 eV) has been observed. This peak is related to the presence of chlorine on the surface: it is suggested that it is related to a charge transfer interaction. The influence of this species on the CO reactivity in the Fischer-Tropsch reaction is discussed. (orig.)

  11. Rethinking the theoretical description of photoluminescence in compound semiconductors

    Science.gov (United States)

    Valkovskii, V.; Jandieri, K.; Gebhard, F.; Baranovskii, S. D.

    2018-02-01

    Semiconductor compounds, such as Ga(NAsP)/GaP or GaAsBi/GaAs, are in the focus of intensive research due to their unique features for optoelectronic devices. The optical spectra of compound semiconductors are strongly influenced by the random scattering potentials caused by compositional and structural disorder. The disorder potential is responsible for the red-shift (Stokes shift) of the photoluminescence (PL) peak and for the inhomogeneous broadening of the PL spectra. So far, the anomalous broadening of the PL spectra in Ga(NAsP)/GaP has been explained assuming two coexisting length scales of disorder. However, this interpretation appears in contradiction to the recently observed dependence of the PL linewidth on the excitation intensity. We suggest an alternative approach that describes the PL characteristics in the framework of a model with a single length scale of disorder. The price is the assumption of two types of localized states with different, temperature-dependent non-radiative recombination rates.

  12. 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.

  13. 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.

  14. Organic compounds in Elm Fork Trinity River water used for public supply near Carrollton, Texas, 2002-05

    Science.gov (United States)

    Ging, Patricia B.; Delzer, Gregory C.; Hamilton, Pixie A.

    2009-01-01

    Organic compounds studied in this U.S. Geological Survey (USGS) assessment generally are man-made, including pesticides, solvents, gasoline hydrocarbons, personal-care and domestic-use products, refrigerants, and propellants. A total of 103 of 277 compounds were detected at least once among the 30 samples of source water for a community water system on the Elm Fork Trinity River near Carrollton, Texas, collected approximately monthly during 2002-05. The diversity of compounds detected indicates a variety of different sources and uses (including wastewater discharge, industrial, agricultural, domestic, and others) and different pathways (including overland runoff and groundwater discharge) to drinking-water supplies. Nine compounds were detected year-round in source-water samples, including chloroform, methyl tert-butyl ether (MTBE), and selected herbicide compounds commonly used in the Trinity River Basin and in other urban areas across the United States. About 90 percent of the 42 compounds detected most frequently in source water (in at least 20 percent of the samples) also were detected most frequently in finished water (after treatment but before distribution). Concentrations for all detected compounds in source and finished water generally were less than 0.1 microgram per liter and always less than human-health benchmarks, which are available for about one-half of the detected compounds.

  15. 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.

  16. 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...

  17. 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.

  18. Moessbauer spectra of some complex compounds of Fe(II) with pyridine

    International Nuclear Information System (INIS)

    Teodorescu, M.; Filoti, G.

    1975-01-01

    The Moessbauer spectra of [Fe(II)py 6 ]Br 2 at 298 and 80 K and the reflectance spectra of the same compound at room temperature are presented. Isomer shift and quadrupole splitting were determined for [Fe(II)py 6 ]Br 2 at 298 and 80 K, their values being correlated with those obtained from electronic spectra measured in the solid state. (Z.S.)

  19. Final rubbery state characterization using a hollow cylinder dynamic shear sample on DMA7

    Directory of Open Access Journals (Sweden)

    Vilaiporn Luksameevanish

    2004-09-01

    Full Text Available Dynamic properties of raw natural rubber were examined using a hollow cylinder shaped samplesubjected to shear deformation on a laboratory Dynamic Mechanical Analyser. According to Cox-Merz’s study, dynamic complex viscosity obtained by this method showed a good agreement with shear flow viscosity measured by capillary rheometer. A master curve derived from the dynamic properties were then characterized. A crossing point of storage modulus (G’ and loss modulus (G’’ curves in the master curves was used to identify the final rubbery state, which indicated the transition of rubbery state and molten state. The position of this point depends on quantities and types of reinforcing or non-reinforcing fillers. The final rubbery state was shifted to higher frequency or lower temperature. It was found that the final rubbery state of CaCO3-filled rubber compounds was shifted to higher frequency or lower temperature by approximately 4 decades, while the translation of carbon black-filled rubber compounds was lower than unfilled rubber by about 1 decade. This phenomenon can be used to explain rubber elasticity, i.e. a decreasing of die swell of CaCO3 filled compounds at any high processing temperature. On the other hand, high magnitude of die swell for carbon black filled compound was still obtained.

  20. Occurrence of Organic Wastewater Compounds in Selected Surface-Water Supplies, Triangle Area of North Carolina, 2002-2005

    Science.gov (United States)

    Giorgino, M.J.; Rasmussen, R.B.; Pfeifle, C.M .

    2007-01-01

    ). The occurrence and distribution of organic wastewater compounds varied considerably among sampling sites, but at least one compound was detected at every location. The most organic wastewater compounds (19) were detected at the Neuse River above U.S. 70 at Smithfield, where two-thirds of the total number of samples were collected. The fewest organic wastewater compounds (1) were detected at the Eno River at Hillsborough. The detection of multiple organic wastewater compounds was common, with a median of 3.5 and as many as 12 compounds observed in individual samples. Some compounds, including acetaminophen, cotinine, tri(2-chloroethyl) phosphate, and metolachlor, were detected at numerous sites and in numerous samples, indicating that they are widely distributed in the environment. Other organic wastewater compounds, including acetyl-hexamethyl tetrahydronaphthalene and hexahydro-hexamethyl cyclopentabenzopyran, were detected in numerous samples but at only one location, indicating that sources of these compounds are more site specific. Results indicate that municipal wastewater may be a source of antibiotics and synthetic musks; however, the three sites in this study that are located downstream from wastewater discharges also receive runoff from agricultural, urban, and rural residential lands. Source identification was not an objective of this study. Concentrations of individual compounds generally were less than 0.5 microgram per liter. No concentrations exceeded Federal drinking-water standards or health advisories, nor water-quality criteria established by the State of North Carolina; however, such criteria are available for only a few of the compounds that were studied. Compared with other surface waters that have been sampled across the United States, the Triangle Area water-supply sites had fewer detections of organic wastewater compounds; however, differences in study design and analytical methods used among studies must be considered when mak

  1. 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

  2. The ferromagnetic Kondo-lattice compound SmFe sub 4 P sub 1 sub 2

    CERN Document Server

    Takeda, N

    2003-01-01

    We report on the magnetic properties of a filled skutterudite compound, SmFe sub 4 P sub 1 sub 2. Magnetic susceptibility and specific heat measurements revealed a ferromagnetic transition at 1.6 K. The temperature dependence of the electrical resistivity exhibits a Kondo-lattice behaviour and the electronic specific heat coefficient attains values as large as 370 mJ mol sup - sup 1 K sup - sup 2. This compound is thereby the first Sm-based heavy-fermion system found with a ferromagnetic ground state. The Kondo temperature is estimated to be about 30 K. (letter to the editor)

  3. 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

  4. Core-level satellites and outer core-level multiplet splitting in Mn model compounds

    International Nuclear Information System (INIS)

    Nelson, A. J.; Reynolds, John G.; Roos, Joseph W.

    2000-01-01

    We report a systematic study of the Mn 2p, 3s, and 3p core-level photoemission and satellite structures for Mn model compounds. Charge transfer from the ligand state to the 3d metal state is observed and is distinguished by prominent shake-up satellites. We also observe that the Mn 3s multiplet splitting becomes smaller as the Mn oxidation state increases, and that 3s-3d electron correlation reduces the branching ratio of the 7 S: 5 S states in the Mn 3s spectra. In addition, as the ligand electronegativity decreases, the spin-state purity is lost in the 3s spectra, as evidenced by peak broadening. Our results are best understood in terms of the configuration-interaction model including intrashell electron correlation, charge transfer, and final-state screening. (c) 2000 American Vacuum Society

  5. Rb-intercalated C{sub 60} compounds studied by photoemission spectroscopies

    Energy Technology Data Exchange (ETDEWEB)

    Brambilla, A [INFM - Dipartimento di Fisica, Politecnico di Milano, p.za L. da Vinci 32, I-20133 Milan (Italy); Giovanelli, L [Sincrotrone Trieste S.C.p.A., Strada Statale 14, Km 163.5, I-34012 Basovizza, Trieste (Italy); Vilmercati, P [Sincrotrone Trieste S.C.p.A., Strada Statale 14, Km 163.5, I-34012 Basovizza, Trieste (Italy); Cattoni, A [INFM - Dipartimento di Fisica, Politecnico di Milano, p.za L. da Vinci 32, I-20133 Milan (Italy); Biagioni, P [INFM - Dipartimento di Fisica, Politecnico di Milano, p.za L. da Vinci 32, I-20133 Milan (Italy); Goldoni, A [Sincrotrone Trieste S.C.p.A., Strada Statale 14, Km 163.5, I-34012 Basovizza, Trieste (Italy); Finazzi, M [INFM - Dipartimento di Fisica, Politecnico di Milano, p.za L. da Vinci 32, I-20133 Milan (Italy); Duo, L [INFM - Dipartimento di Fisica, Politecnico di Milano, p.za L. da Vinci 32, I-20133 Milan (Italy)

    2005-06-15

    We report on a combined photoemission and inverse photoemission spectroscopy analysis on Rb{sub x}C{sub 60} compounds with different stoichiometries (0-bar x-bar 6). Apart from shifts and broadening of the spectral features associated to the different phase formed, we observe in the RbC{sub 60} phase the presence of the highest occupied molecular orbital (HOMO) shoulder and of its symmetric (with respect to the Fermi level) empty state. According to calculations, the metallicity of this phase and the presence of these electronic states may be taken as a fingerprint of the interplay between electron-electron and electron-phonon interactions in determining the electronic behavior of alkali metal fullerides.

  6. Magnetic structure of post-perovskite compound CaIrO3

    International Nuclear Information System (INIS)

    Ohgushi, Kenya; Ohsumi, Hiroyuki; Yamaura, Jun-ichi; Arima, Taka-hisa

    2014-01-01

    We have performed resonant X-ray diffraction experiments at the Ir L absorption edges for a post-perovskite compound CaIrO 3 with a Ir 4+ : (t 2g ) 5 electronic configuration. By observing the magnetic signals, we could clearly see that the magnetic structure was a striped ordering with antiferromagnetic moments along the c axis and that the wave function of a t 2g hole is strongly spin-orbit entangled, the J eff = 1/2 state. The observed spin arrangement is consistent with a theoretical work predicting a unique superexchange interaction called the quantum compass model. Our studies stimulate further studies for developing novel quantum states in iridium oxides. (author)

  7. 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.

  8. Representation and Validation of Liquid Densities for Pure Compounds and Mixtures

    DEFF Research Database (Denmark)

    O'Connell, J.; V. Dicky, V.; Abildskov, Jens

    Reliable correlation and prediction of liquid densities are important for designing chemical processes at normal and elevated pressures. We have extended a corresponding states model from molecular theory to yield a robust method for quality testing of experimental data that also provides predicted...... values at unmeasured conditions. The model has been shown to successfully validate and represent the pressure and temperature dependence of liquid densities greater than 1.5 of the critical density for pure compounds, binary mixtures, and ternary mixtures from the triple to critical temperatures...... at pressures up to 1000 MPa. The systems include the full range of organic compounds, including complex mixtures, and ionic liquids. Minimal data are required for making predictions.The presentation will show the implementation of the method, criteria for its deployment, examples of its application to a wide...

  9. Metal cluster compounds - chemistry and importance; clusters containing isolated main group element atoms, large metal cluster compounds, cluster fluxionality

    International Nuclear Information System (INIS)

    Walther, B.

    1988-01-01

    This part of the review on metal cluster compounds deals with clusters containing isolated main group element atoms, with high nuclearity clusters and metal cluster fluxionality. It will be obvious that main group element atoms strongly influence the geometry, stability and reactivity of the clusters. High nuclearity clusters are of interest in there own due to the diversity of the structures adopted, but their intermediate position between molecules and the metallic state makes them a fascinating research object too. These both sites of the metal cluster chemistry as well as the frequently observed ligand and core fluxionality are related to the cluster metal and surface analogy. (author)

  10. Specific heat of Nb3Sn and V2Zr compounds irradiated with high fluences fast neutrons

    International Nuclear Information System (INIS)

    Kar'kin, A.E.; Mirmel'shtejn, A.V.; Arkhipov, V.E.; Goshchitskij, B.N.

    1987-01-01

    Specific heat of Nb 3 Sn (structure A15) and V 2 Zr (C15) specimens irradiated with high fluences of bast neutrons has been measured. It is shown that in these compounds the temperature reduction of superconducting transition T c under neutron irradiation is accompanied with high decrease of N(E F ). Phonon spectrum of the irradiated V 2 Zr (amorphous phase) on the whole is harder, than at an initial state, for irradiated Nb 3 Sn state (disordered crystalline structure) phonon spectrum is differ weakly from initial one. General regularities of parameter change of electron and phonon subsystems for A15 compounds investigated here and earlier (V 3 Si, Mo 3 Si, Mo 3 Ge) have been analysed

  11. Alteration of the superconducting properties of A15 compounds and elementary composite superconductors by non-hydrostatic elastic strain

    International Nuclear Information System (INIS)

    Welch, D.O.

    1979-01-01

    Elastic strains alter (usually, but not always, adversely) the critical temperatures, magnetic fields, and current densities of superconducting A15 compounds; non-hydrostatic strain states are particularly effective in this regard. This paper is a review of the experimental evidence, obtained by a variety of techniques, concerning the strain dependence of the critical properties of a number of A15 compounds and a discussion of theoretical models for describing such effects

  12. 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.

  13. 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.

  14. Bioactive Compounds of Blueberries: Post-Harvest Factors Influencing the Nutritional Value of Products

    Directory of Open Access Journals (Sweden)

    Anna Michalska

    2015-08-01

    Full Text Available Blueberries, besides having commonly-recognized taste properties, are also a valuable source of health-promoting bioactive compounds. For several decades, blueberries have gained in popularity all over the world, and recent years have seen not only an increase in fresh consumption, but also in the importance of blueberries for the processing industry. Blueberry processing mostly consists of freezing and juicing. Recently, more attention has been drawn to dewatering and drying, which are promising areas for developing novel blueberry products. Processing affects each biologically-active compound in a different way, and it is still unknown what changes those compounds undergo at the molecular level after the application of different processing technologies. This work presents the most recent state of knowledge about the pre-treatment and processing methods applied to blueberries and their influence on the content of biologically-active compounds. The presentation of methods is preceded by a brief overview of the characteristics of the blueberry species, a description of the chemical composition of the fruit and a short note about the main growing areas, production volumes and the management of fruit crops.

  15. Bioactive Compounds of Blueberries: Post-Harvest Factors Influencing the Nutritional Value of Products

    Science.gov (United States)

    Michalska, Anna; Łysiak, Grzegorz

    2015-01-01

    Blueberries, besides having commonly-recognized taste properties, are also a valuable source of health-promoting bioactive compounds. For several decades, blueberries have gained in popularity all over the world, and recent years have seen not only an increase in fresh consumption, but also in the importance of blueberries for the processing industry. Blueberry processing mostly consists of freezing and juicing. Recently, more attention has been drawn to dewatering and drying, which are promising areas for developing novel blueberry products. Processing affects each biologically-active compound in a different way, and it is still unknown what changes those compounds undergo at the molecular level after the application of different processing technologies. This work presents the most recent state of knowledge about the pre-treatment and processing methods applied to blueberries and their influence on the content of biologically-active compounds. The presentation of methods is preceded by a brief overview of the characteristics of the blueberry species, a description of the chemical composition of the fruit and a short note about the main growing areas, production volumes and the management of fruit crops. PMID:26266408

  16. 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

  17. Oceanic Emissions and Atmospheric Depositions of Volatile Organic Compounds

    Science.gov (United States)

    Yang, M.; Blomquist, B.; Beale, R.; Nightingale, P. D.; Liss, P. S.

    2015-12-01

    Atmospheric volatile organic compounds (VOCs) affect the tropospheric oxidative capacity due to their ubiquitous abundance and relatively high reactivity towards the hydroxyal radical. Over the ocean and away from terrestrial emission sources, oxygenated volatile organic compounds (OVOCs) make up a large fraction of VOCs as airmasses age and become more oxidized. In addition to being produced or destroyed in the marine atmosphere, OVOCs can also be emitted from or deposited to the surface ocean. Here we first present direct air-sea flux measurements of three of the most abundant OVOCs - methanol, acetone, and acetaldehyde, by the eddy covariance technique from two cruises in the Atlantic: the Atlantic Meridional Transect in 2012 and the High Wind Gas Exchange Study in 2013. The OVOC mixing ratios were quantified by a high resolution proton-reaction-transfer mass spectrometer with isotopically labeled standards and their air-sea (net) fluxes were derived from the eddy covariance technique. Net methanol flux was consistently from the atmosphere to the surface ocean, while acetone varied from supersaturation (emission) in the subtropics to undersaturation (deposition) in the higher latitudes of the North Atlantic. The net air-sea flux of acetaldehyde is near zero through out the Atlantic despite the apparent supersaturation of this compound in the surface ocean. Knowing the dissolved concentrations and in situ production rates of these compounds in seawater, we then estimate their bulk atmospheric depositions and oceanic emissions. Lastly, we summarize the state of knowledge on the air-sea transport of a number of organic gasses, and postulate the magnitude and environmental impact of total organic carbon transfer between the ocean and the atmosphere.

  18. Los Angeles and Long Beach Harbors Model Enhancement Program. Tidal Circulation Prototype Data Collection Effort. Volume 3. Appendix J

    Science.gov (United States)

    1989-12-01

    TS Gal T ____________ CLOUS AMID OS I WI 0__2_00__4 CI. ~ .*I *0O~~A . t’R AllR . aCe- LCa ~ ~ w, (LSI~ (a. ~IJ %I ~ OVI *, ~*~11C? S. CCI IMS ~e .C...SIvWIC $*S.1C6 A.N ivj fLT M) ~* b.rf)~Sl~T 9___ A 0 70 61 - IU AY WIN "Morg I0 v3o AN600 NI 1 0f. 1- ?.H VooIN TY w .. a m001 "Tm T CHIP ? -Cc...34hCLCmcH ONac .i..ai d "ctimm.i 46" 9-Pc.. Rupamets a ;. 1IO6At-80mc TNCc. WAY saell JEU.,GPO WOOD &M’o0 J227 .S.’. C UL A sEN OF* COM SC STAIONf ~ t

  19. Analysis of isoelectron isonuclear series of holovalent tetraelectron compounds as a system of bicomponent chemical compounds

    International Nuclear Information System (INIS)

    Vigdorovich, V.N.; Dzhuraev, T.D.

    1985-01-01

    Analogs and prototypes of the compounds supplementing the system of isoelectron isonuclear series of holovalent tetraelectron compounds by Gorunova are revealed. The investigation of all series of tetraelectron ovalenthol compounds allows one to supplement the variety of known series used for regular tracing and forecasting of compound properties (series of cation and anion substitutions by isonuclear series of the A 4 B 4 , A 3 B 5 , A 1 B 7 type and others compounds. The above series for medium ordinal numbers anti Z equal 10, 14, 18, 23 and 36 permit to illustrate the possibility of existence of such analogs or series, for example for the compounds of the type A 3 -- B 5 :AlN-BP or Z=1(f AlP-ScN-BV (for Z=14), ScP-AlV (for Z=18), GaP-AlAs-YN-BNb ( for Z=23) and YAs-GaNb-InV-ScSb-LaP-AlPr (for Z=36)

  20. Electronic structure, local magnetism, and spin-orbit effects of Ir(IV)-, Ir(V)-, and Ir(VI)-based compounds

    Energy Technology Data Exchange (ETDEWEB)

    Laguna-Marco, M. A.; Kayser, P.; Alonso, J. A.; Martínez-Lope, M. J.; van Veenendaal, M.; Choi, Y.; Haskel, D.

    2015-06-01

    Element- and orbital-selective x-ray absorption and magnetic circular dichroism measurements are carried out to probe the electronic structure and magnetism of Ir 5d electronic states in double perovskite Sr2MIrO6 (M = Mg, Ca, Sc, Ti, Ni, Fe, Zn, In) and La2NiIrO6 compounds. All the studied systems present a significant influence of spin-orbit interactions in the electronic ground state. In addition, we find that the Ir 5d local magnetic moment shows different character depending on the oxidation state despite the net magnetization being similar for all the compounds. Ir carries an orbital contribution comparable to the spin contribution for Ir4+ (5d(5)) and Ir5+ (5d(4)) oxides, whereas the orbital contribution is quenched for Ir6+ (5d(3)) samples. Incorporation of a magnetic 3d atom allows getting insight into the magnetic coupling between 5d and 3d transition metals. Together with previous susceptibility and neutron diffractionmeasurements, the results indicate that Ir carries a significant local magnetic moment even in samples without a 3d metal. The size of the (small) net magnetization of these compounds is a result of predominant antiferromagnetic interactions between local moments coupled with structural details of each perovskite structure

  1. Magnetic anisotropy of pure and doped YbInCu sub 4 compounds at ambient and high pressures

    CERN Document Server

    Mushnikov, N V; Rozenfeld, E V; Yoshimura, K; Zhang, W; Yamada, M; Kageyama, H

    2003-01-01

    The susceptibility and high-field magnetization of single-crystalline Yb sub 1 sub - sub x Y sub x InCu sub 4 (x = 0, 0.2 and 0.3) samples have been measured for different field orientations at ambient and high pressures. The compounds with x = 0 and 0.2 undergo a first-order valence transition from the intermediate-valence state to the trivalent state on increasing either temperature or magnetic field. The magnetization and susceptibility of these compounds have appreciable anisotropy in both states. The magnetic phase diagram of Yb sub 1 sub - sub x Y sub x InCu sub 4 determined at ambient pressure is also anisotropic, which is explained by the crystal-field calculations for the free Yb ion in the high-temperature phase. Moreover, the low-temperature magnetization process for x = 0.2 and 0.3 has been measured in low fields under high pressure; it shows anisotropic ferromagnetic ordering.

  2. 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...

  3. 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.

  4. Performance Improvement in 503A Compounding Pharmacies: A PLAN FOR ASSESSMENT, IMPLEMENTATION, AND SUSTAINED SUCCESS.

    Science.gov (United States)

    Pritchett, Jon; Mixon, William; O'Connell, Kevin

    2016-01-01

    Performance improvement is the continual effort to objectively assess current performance and then restructure the practices that support it to more closely achieve desired performance. A plan for performance improvement, unlike other approaches to correcting problems in job fulfillment, is a systematic method used to first find the root causes of areas of concern and then apply corrections to remedy those deficits. Implementing a performance improvement plan that can be easily adapted to ensure compliance with evolving and increasingly complex state and federal regulations is crucial to a successful compounding practice. In this article, we discuss the need for performance improvement in 503A compounding pharmacies, list the steps necessary to develop such a plan, and present three case reports of performance improvement plans in differing compounding settings.

  5. Impact of high-intensity pulsed electric fields on bioactive compounds in Mediterranean plant-based foods.

    Science.gov (United States)

    Elez-Martínez, Pedro; Soliva-Fortuny, Robert; Martín-Belloso, Olga

    2009-05-01

    Novel non-thermal processing technologies such as high-intensity pulsed electric field (HIPEF) treatments may be applied to pasteurize plant-based liquid foods as an alternative to conventional heat treatments. In recent years, there has been an increasing interest in HIPEF as a way of preserving and extending the shelf-life of liquid products without the quality damage caused by heat treatments. However, less attention has been paid to the effects of HIPEF on minor constituents of these products, namely bioactive compounds. This review is a state-of-the-art update on the effects of HIPEF treatments on health-related compounds in plants of the Mediterranean diet such as fruit juices, and Spanish gazpacho. The relevance of HIPEF-processing parameters on retaining plant-based bioactive compounds will be discussed.

  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. Study by infrared spectroscopy of coordination compounds of some ethers with aluminium chloride and bromide

    International Nuclear Information System (INIS)

    Derouault, Jean

    1968-01-01

    After having recalled some thermodynamic aspects related to electron donor-acceptor compounds, this research thesis reports the study of infrared spectra of 1-1R 2 O-AlX 3 complexes in a condensed state (X is either bromine or chlorine). The next part reports the study of infrared spectra of 2-1(R 2 O) 2 -AlX 3 complexes in a condensed state (X is also either bromine or chlorine), and the third part addresses the study of the formation of complexes of aluminium halides with ethers, in a dissolved state

  8. Solid-phase synthesis of compounds of europium and terbium with nitrogen-containing heterocyclic compounds under mechanical activation

    International Nuclear Information System (INIS)

    Kalinovskaya, I.V.; Karasev, V.E.

    2000-01-01

    Effect of solvents and parameters of mechanical treatment on basic regularities of synthesis of rare earth compounds with nitrogen-containing heterocyclic compounds is studied. It is shown that interaction on europium (3) and terbium (3) nitrates with nitrogen-containing heterocyclic compounds leads to formation of compounds of Ln(NO 3 )·2D composition, where Ln=Eu, Tb; D=2,2-dipyridyl, 1,10-phenanthroline, diphenylguanidine. Effect of conditions of mechanical treatment and different additions on process and yield of products is studied. Compounds prepared are characterized by the methods of chemical element analysis, IR spectroscopy and luminescent spectroscopy [ru

  9. State diagram of Pr-Bi system

    International Nuclear Information System (INIS)

    Abulkhaev, V.L.; Ganiev, I.N.

    1994-01-01

    By means of thermal differential analysis, X-ray and microstructural analysis the state diagram of Pr-Bi system was studied. Following intermetallic compounds were defined in the system: Pr 2 Bi, Pr 5 Bi 3 , Pr 4 Bi 3 , Pr Bi, PrBi 2 , Pr 2 Bi, Pr 5 Bi 3 , Pr 4 Bi 3 and PrBi 2 . The data analysis on Ln-Bi diagram allowed to determine the regularity of change of properties of intermetallic compounds in the line of rare earth elements of cerium subgroup.

  10. 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 ...

  11. Volatile organic compound emissions from Larrea tridentata (creosotebush

    Directory of Open Access Journals (Sweden)

    A. Guenther

    2010-12-01

    Full Text Available We present results from the CREosote ATmosphere Interactions through Volatile Emissions (CREATIVE 2009 field study in southern Arizona aimed at quantifying emission rates of VOCs from creosotebush (Larrea tridentata during the summer 2009 monsoon season. This species was chosen because of its vast distribution in North and South American deserts and because its resins have been reported to contain a rich set of volatile organic compounds (VOC. While a variety of ecosystems have been investigated for VOC emissions, deserts remain essentially unstudied, partially because of their low biomass densities and water limitations. However, during the North American monsoon, a pronounced increase in rainfall from an extremely dry June (80 mm occurs over large areas of the Sonoran desert in the southwestern United States and northwestern Mexico. We observed a strong diurnal pattern of branch emissions and ambient concentrations of an extensive suite of VOCs with maxima in early afternoon. These include VOCs typically observed in forest sites (oxygenated VOCs and volatile isoprenoids as well as a large number of other compounds, some of which have not been previously described from any plant including 1-chloro-2-methoxy-benzene and isobutyronitrile. Although generally considered to be derived from anthropogenic sources, we observed emissions of aromatic compounds including benzene, and a broad range of phenolics. Dimethyl sulfide emissions from creosotebush were higher than reported from any previously studied plant suggesting that terrestrial ecosystems should be reconsidered as an important source of this climatically important gas. We also present direct, primary emission measurements of isoprene and its apparent oxidation products methyl vinyl ketone, methacrolein, and 3-methyl furan (the later three compounds are typically assumed to form from secondary reactions within the atmosphere, as well as a group of compounds considered to be fatty acid

  12. Electronic, phonon and superconducting properties of LaPtBi half-Heusler compound

    Science.gov (United States)

    Shrivastava, Deepika; Sanyal, Sankar P.

    2018-05-01

    In the framework of density functional theory based on plane wave pseudopotential method and linear response technique, we have studied the electronic, phonon and superconducting properties of LaPtBi half-Heusler compound. The electronic band structure and density of states show that it is gapless semiconductor which is consistent with previous results. The positive phonon frequencies confirm the stability of this compound in cubic MgAgAs phase. Superconductivity is studied in terms of Eliashberg spectral function (α2F(ω)), electron-phonon coupling constants (λ). The value of electron-phonon coupling parameter is found to be 0.41 and the superconducting transition temperature is calculated to be 0.76 K, in excellent agreement with the experimentally reported values.

  13. 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

  14. 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.

  15. 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.

  16. Electronic, magnetic properties and phase diagrams of system with Fe4N compound: An ab initio calculations and Monte Carlo study

    Science.gov (United States)

    Masrour, R.; Jabar, A.; Hlil, E. K.

    2018-05-01

    Self-consistent ab initio calculations, based on Density Functional Theory (DFT) approach and using Full potential Linear Augmented Plane Wave (FLAPW) method, are performed to investigate the electronic and magnetic properties of the Fe4N compound. Polarized spin and spin-orbit coupling are included in calculations within the framework of the ferromagnetic state between Fe(I) and Fe(II) in Fe4N compound. We have used the obtained data from abinitio calculations as an input in Monte Carlo simulation to calculate the magnetic properties of this compounds such as the ground state phase diagrams, total and partial magnetization of Fe(I) and Fe(II) as well as the transition temperatures are computed. The variation of magnetization with the crystal field are also studied. The magnetic hysteresis cycle of the same Fe4N compound are determined for different values of temperatures and crystal field values. The two-step hysteresis loop are evidenced, which is typical for Fe4N structure. The ferromagnetic and superparamagnetic phase is observed as well.

  17. Metal-insulator transition and magnetic properties of La - (Ba/Ca) - Mn - O compounds

    International Nuclear Information System (INIS)

    Anbarasu, V.; Manigandan, A.; Sathiyakumar, S.; Jayabalan, K.; Kaliyaperumal, L.K.

    2009-01-01

    The manganite compounds La 2 BaMn (3+x) P y (where x = 0, 0.5 and 1) and La 2 CaMn 3 O y have been prepared for the importance in the field of magneto resistance materials through solid-state reaction technique. From the Powder XRD patterns it was confirmed that both compounds were in single phase and the refined crystal system matches with superconducting perovskite structure and the lattice parameters were calculated as a = 3.892( 6) A, b = 3.899(3) A and c = 11.619(8) A for La 2 BaMn 3 O y ; a = 3.851(3) A, b = 3.891(9) A and c = 11.542(7) A for La 2 CaMn 3 O y . The low temperature resistivity measurement reveals that the compound La 2 BaMn 3 O y exhibiting M - I transition and the transition temperature was found to be 270 K. The study on magnetization nature of the La 2 BaMn 3+x Oy (where x = 0, 0.5 and I) compounds through vibrating sample magnetometer confirms the superparamagnetic nature at room temperature condition where as La 2 CaMn 3 O y exhibits paramagnetic nature. The structural relations between the prepared manganite systems La 2 BaMn 3 O y and La 2 CaMn 3 O y with superconducting perovskite compound LaBa 2 Cu 3 O 7-y was studied with the technological application of magneto resistive property of the prepared compounds. (author)

  18. State: Soave-Redlich-Kwong Equation of State

    Directory of Open Access Journals (Sweden)

    M H. Joshipura

    2000-01-01

    for Soave Redlich Kwong (SRK Equations of State (EOS, available in literature have been compared. 313 compounds, compromising of 29 different classes of families, have been selected for the study. The reduced temperatures were studied in three regions; (i Tr=0.7 and (iii entire range from freezing point to critical point. It was observed that all the models compared here show the acceptable behavior except model proposed by Soave (Soave, 1992. Some families showed very high deviation in AAD, which can be attributed to more than one factor like polarity, acentricity, and association.

  19. Nanofibrous matrixes with biologically active hydroxybenzophenazine pyrazolone compound for cancer theranostics

    International Nuclear Information System (INIS)

    Kandhasamy, Subramani; Ramanathan, Giriprasath; Muthukumar, Thangavelu; Thyagarajan, SitaLakshmi; Umamaheshwari, Narayanan; Santhanakrishnan, V P; Sivagnanam, Uma Tiruchirapalli; Perumal, Paramasivan Thirumalai

    2017-01-01

    The nanomaterial with the novel biologically active compounds has been actively investigated for application in cancer research. Substantial use of nanofibrous scaffold for cancer research with potentially bioactive compounds through electrospinning has not been fully explored. Here, we describe the series of fabrication of nanofibrous scaffold loaded with novel potential biologically active hydroxybenzo[a]phenazine pyrazol-5(4H)-one derivatives were designed, synthesized by a simple one-pot, two step four component condensation based on Michael type addition reaction of lawsone, benzene-1,2-diamine, aromatic aldehydes and 3-methyl-1-phenyl-1H-pyrazol-5(4H)-one as the substrates. The heterogeneous solid state catalyst (Fe (III) Y-Zeolite) could effectively catalyze the reaction to obtain the product with high yield and short reaction time. The synthesized compounds (5a–5p) were analyzed by NMR, FTIR and HRMS analysis. Compound 5c was confirmed by single crystal XRD studies. All the compounds were biologically evaluated for their potential inhibitory effect on anticancer (MCF-7, Hep-2) and microbial (MRSA, MTCC 201 and FRCA) activities. Among the compounds 5i exhibited the highest levels of inhibitory activity against both MCF-7, Hep-2 cell lines. Furthermore, the compound 5i (BPP) was evaluated for DNA fragmentation, flow cytometry studies and cytotoxicity against MCF-7, Hep-2 and NIH 3T3 fibroblast cell lines. In addition, molecular docking (PDB ID: (1T46)) studies were performed to predict the binding affinity of ligand with receptor. Moreover, the synthesized BPP compound was loaded in to the PHB-PCL nanofibrous scaffold to check the cytotoxicity against the MCF-7, Hep-2 and NIH 3T3 fibroblast cell lines. The in vitro apoptotic potential of the PHB-PCL-BPP nanofibrous scaffold was assessed against MCF-7, Hep-2 cancerous cells and fibroblast cells at 12, 24 and 48 h respectively. The nanofibrous scaffold with BPP can induce apoptosis and also suppress the

  20. Nanofibrous matrixes with biologically active hydroxybenzophenazine pyrazolone compound for cancer theranostics

    Energy Technology Data Exchange (ETDEWEB)

    Kandhasamy, Subramani [Organic Chemistry Division, CSIR-Central Leather Research Institute, Adyar, Chennai 600020, Tamilnadu (India); Ramanathan, Giriprasath [Bioproducts Lab, CSIR-Central Leather Research Institute, Chennai 600020, Tamilnadu (India); Muthukumar, Thangavelu [Department of Clinical and Experimental Medicine (IKE), Division of Neuro and Inflammation Sciences (NIV), Linkoping University (Sweden); Thyagarajan, SitaLakshmi [Bioproducts Lab, CSIR-Central Leather Research Institute, Chennai 600020, Tamilnadu (India); Umamaheshwari, Narayanan [Organic Chemistry Division, CSIR-Central Leather Research Institute, Adyar, Chennai 600020, Tamilnadu (India); Santhanakrishnan, V P [Department of Plant Biotechnology, TNAU, Coimbatore, Tamilnadu (India); Sivagnanam, Uma Tiruchirapalli, E-mail: suma67@gmail.com [Bioproducts Lab, CSIR-Central Leather Research Institute, Chennai 600020, Tamilnadu (India); Perumal, Paramasivan Thirumalai, E-mail: ptperumal@gmail.com [Organic Chemistry Division, CSIR-Central Leather Research Institute, Adyar, Chennai 600020, Tamilnadu (India)

    2017-05-01

    The nanomaterial with the novel biologically active compounds has been actively investigated for application in cancer research. Substantial use of nanofibrous scaffold for cancer research with potentially bioactive compounds through electrospinning has not been fully explored. Here, we describe the series of fabrication of nanofibrous scaffold loaded with novel potential biologically active hydroxybenzo[a]phenazine pyrazol-5(4H)-one derivatives were designed, synthesized by a simple one-pot, two step four component condensation based on Michael type addition reaction of lawsone, benzene-1,2-diamine, aromatic aldehydes and 3-methyl-1-phenyl-1H-pyrazol-5(4H)-one as the substrates. The heterogeneous solid state catalyst (Fe (III) Y-Zeolite) could effectively catalyze the reaction to obtain the product with high yield and short reaction time. The synthesized compounds (5a–5p) were analyzed by NMR, FTIR and HRMS analysis. Compound 5c was confirmed by single crystal XRD studies. All the compounds were biologically evaluated for their potential inhibitory effect on anticancer (MCF-7, Hep-2) and microbial (MRSA, MTCC 201 and FRCA) activities. Among the compounds 5i exhibited the highest levels of inhibitory activity against both MCF-7, Hep-2 cell lines. Furthermore, the compound 5i (BPP) was evaluated for DNA fragmentation, flow cytometry studies and cytotoxicity against MCF-7, Hep-2 and NIH 3T3 fibroblast cell lines. In addition, molecular docking (PDB ID: (1T46)) studies were performed to predict the binding affinity of ligand with receptor. Moreover, the synthesized BPP compound was loaded in to the PHB-PCL nanofibrous scaffold to check the cytotoxicity against the MCF-7, Hep-2 and NIH 3T3 fibroblast cell lines. The in vitro apoptotic potential of the PHB-PCL-BPP nanofibrous scaffold was assessed against MCF-7, Hep-2 cancerous cells and fibroblast cells at 12, 24 and 48 h respectively. The nanofibrous scaffold with BPP can induce apoptosis and also suppress the

  1. Organic Compounds in Potomac River Water Used for Public Supply near Washington, D.C., 2003-05

    Science.gov (United States)

    Brayton, Michael J.; Denver, Judith M.; Delzer, Gregory C.; Hamilton, Pixie A.

    2008-01-01

    Organic compounds studied in this U.S. Geological Survey (USGS) assessment generally are man-made, including, in part, pesticides, solvents, gasoline hydrocarbons, personal care and domestic-use products, and refrigerants and propellants. A total of 85 of 277 compounds were detected at least once among the 25 samples collected approximately monthly during 2003-05 at the intake of the Washington Aqueduct, one of several community water systems on the Potomac River upstream from Washington, D.C. The diversity of compounds detected indicate a variety of different sources and uses (including wastewater discharge, industrial, agricultural, domestic, and others) and different pathways (including treated wastewater outfalls located upstream, overland runoff, and ground-water discharge) to drinking-water supplies. Seven compounds were detected year-round in source-water intake samples, including selected herbicide compounds commonly used in the Potomac River Basin and in other agricultural areas across the United States. Two-thirds of the 26 compounds detected most commonly in source water (in at least 20 percent of the samples) also were detected most commonly in finished water (after treatment but prior to distribution). Concentrations for all detected compounds in source and finished water generally were less than 0.1 microgram per liter and always less than human-health benchmarks, which are available for about one-half of the detected compounds. On the basis of this screening-level assessment, adverse effects to human health are expected to be negligible (subject to limitations of available human-health benchmarks).

  2. Comparison of the toxicity of fluoridation compounds in the nematode Caenorhabditis elegans.

    Science.gov (United States)

    Rice, Julie R; Boyd, Windy A; Chandra, Dave; Smith, Marjolein V; Den Besten, Pamela K; Freedman, Jonathan H

    2014-01-01

    Fluorides are commonly added to drinking water in the United States to decrease the incidence of dental caries. Silicofluorides, such as sodium hexafluorosilicate (Na2 SiF6 ) and fluorosilicic acid (H2 SiF6 ), are mainly used for fluoridation, although fluoride salts such as sodium fluoride (NaF) are also used. Interestingly, only the toxicity of NaF has been examined and not that of the more often used silicofluorides. In the present study, the toxicities of NaF, Na2 SiF6 , and H2 SiF6 were compared. The toxicity of these fluorides on the growth, feeding, and reproduction in the alternative toxicological testing organism Caenorhabditis elegans was examined. Exposure to these compounds produced classic concentration-response toxicity profiles. Although the effects of the fluoride compounds varied among the 3 biological endpoints, no differences were found between the 3 compounds, relative to the fluoride ion concentration, in any of the assays. This suggests that silicofluorides have similar toxicity to NaF. © 2013 SETAC.

  3. A Multiplexed Assay That Monitors Effects of Multiple Compound Treatment Times Reveals Candidate Immune-Enhancing Compounds.

    Science.gov (United States)

    Zhao, Ziyan; Henowitz, Liza; Zweifach, Adam

    2018-05-01

    We previously developed a flow cytometry assay that monitored lytic granule exocytosis in cytotoxic T lymphocytes stimulated by contacting beads coated with activating anti-CD3 antibodies. That assay was multiplexed in that responses of cells that did or did not receive the activating stimulus were distinguished via changes in light scatter accompanying binding of cells to beads, allowing us to discriminate compounds that activate responses on their own from compounds that enhance responses in cells that received the activating stimulus, all within a single sample. Here we add a second dimension of multiplexing by developing means to assess in a single sample the effects of treating cells with test compounds for different times. Bar-coding cells before adding them to test wells lets us determine compound treatment time while also monitoring activation status and response amplitude at the point of interrogation. This multiplexed assay is suitable for screening 96-well plates. We used it to screen compounds from the National Cancer Institute, identifying several compounds that enhance anti-LAMP1 responses. Multiple-treatment-time (MTT) screening enabled by bar-coding and read via high-throughput flow cytometry may be a generally useful method for facilitating the discovery of compounds of interest.

  4. Characterization of selected volatile organic compounds, polycyclic aromatic hydrocarbons and carbonyl compounds at a roadside monitoring station

    Science.gov (United States)

    Ho, K. F.; Lee, S. C.; Chiu, Gloria M. Y.

    Volatile organic compounds (VOCs), PAHs and carbonyl compounds are the major toxic components in Hong Kong. Emissions from motor vehicles have been one of the primary pollution sources in the metropolitan areas throughout Hong Kong for a long time. A 1-yr monitoring program for VOCs, PAHs and carbonyl compounds had been performed at a roadside urban station at Hong Kong Polytechnic University in order to determine the variations and correlations of each selected species (VOCs, PAHs and carbonyl compounds). This study is aimed to analyze toxic volatile organic compounds (benzene, toluene, ethylbenzene and xylene), two carbonyl compounds (formaldehyde, acetaldehyde), and selective polycyclic aromatic hydrocarbons. The monitoring program started from 16 April 1999 to 30 March 2000. Ambient VOC concentrations, many of which originate from the same sources as particulate PAHs and carbonyls compounds, show significant quantities of benzene, toluene and xylenes. Correlations and multivariate analysis of selected gaseous and particulate phase organic pollutants were performed. Source identification by principle component analysis and hierarchical cluster analysis allowed the identification of four sources (factors) for the roadside monitoring station. Factor 1 represents the effect of diesel vehicle exhaust. Factor 2 shows the contribution of aromatic compounds. Factor 3 explains photochemical products—formaldehyde and acetaldehyde. Factor 4 explains the effect of gasoline vehicle exhaust.

  5. 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)

  6. 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

  7. Rapid Deposition of Oxidized Biogenic Compounds to a Temperate Forest

    Science.gov (United States)

    Nguyen, Tran B.; Crounse, John D.; Teng, Alex P.; St. Clair, Jason M.; Paulot, Fabien; Wolfe, Glenn M.; Wennberg, Paul O.

    2015-01-01

    We report fluxes and dry deposition velocities for 16 atmospheric compounds above a southeastern United States forest, including: hydrogen peroxide (H2O2), nitric acid (HNO3), hydrogen cyanide (HCN), hydroxymethyl hydroperoxide, peroxyacetic acid, organic hydroxy nitrates, and other multifunctional species derived from the oxidation of isoprene and monoterpenes. The data suggest that dry deposition is the dominant daytime sink for small, saturated oxygenates. Greater than 6 wt %C emitted as isoprene by the forest was returned by dry deposition of its oxidized products. Peroxides account for a large fraction of the oxidant flux, possibly eclipsing ozone in more pristine regions. The measured organic nitrates comprise a sizable portion (15%) of the oxidized nitrogen input into the canopy, with HNO3 making up the balance. We observe that water-soluble compounds (e.g., strong acids and hydroperoxides) deposit with low surface resistance whereas compounds with moderate solubility (e.g., organic nitrates and hydroxycarbonyls) or poor solubility (e.g., HCN) exhibited reduced uptake at the surface of plants. To first order, the relative deposition velocities of water-soluble compounds are constrained by their molecular diffusivity. From resistance modeling, we infer a substantial emission flux of formic acid at the canopy level (approx. 1 nmol m(exp.-2)·s(exp.-1)). GEOS-Chem, awidely used atmospheric chemical transport model, currently underestimates dry deposition for most molecules studied in this work. Reconciling GEOS-Chem deposition velocities with observations resulted in up to a 45% decrease in the simulated surface concentration of trace gases.

  8. Electronic computer prediction of the type of the crystallization reaction of binary compounds on the base of electronic structure of components

    International Nuclear Information System (INIS)

    Kutolin, S.A.; Kotyukov, V.I.

    1979-01-01

    Presented are the criteria permitting to predict distectic and peritectic reactions of crystallization in narrow and wide regions of homogeneity of Asub(n)Bsub(m) binary compounds. Criteria are found as a result of identification of the crystallization reaction type for one hundred of known binary compounds. Predicting function arguments are Chebishev coefficients whose polynomials describe energy distribution of s-, p-, d-atoms of bands of corresponding compound components in condensed state and also Fermi energy atate in compound components and a content. Prediction relative error of distectic (peritectic) crystallization reaction is 6%, for wide homogeneity region - not more than 12 rel.% (for narrow - up to 1 at%). Presented are the prediction results for the most part of A 3 B and AB 3 binary compounds as well as the rare earth compounds of various composition

  9. 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

  10. Advances in induced resistance by natural compounds: towards new options for woody crop protection

    Directory of Open Access Journals (Sweden)

    Eugenio Llorens

    Full Text Available ABSTRACT: The activation of defensive responses of plants is a promising tool for controlling pests in conventional agriculture. Over the last few years, several compounds have been studied to protect crops from pests, without displaying direct toxicity for pathogenic organisms. These compounds have the ability to induce a priming state on the plants that results in resistance (or tolerance against subsequent infection by a pathogen. In terms of molecular response, induced plant defense involves a broad number of physical and biochemical changes such as callose deposition or phenolic compounds, activation of salicylic and/or jasmonic acid pathways or synthesis of defense-related enzymes. Despite the large number of studies performed to ascertain the physiological and biochemical basis of induced resistance, only a few resistance-activating compounds have been studied as a real alternative to classic means of control and the studies geared towards incorporating induced resistance into disease management programs are relatively rare. The incorporation of natural resistance inducer in pest management programs of woody crops, alone or in combination with classical methods, could be a reliable method for reducing the amount of chemical residues in the environment. In this review, we discuss the current knowledge of induced resistance in woody crops, focusing on the mode of action of compounds authorized for conventional agriculture. We conclude by discussing the environmental and economic advantages of applying resistance inducers to conventional agriculture with special emphasis on natural compounds.

  11. Analysis of isoelectron isonuclear series of holovalent tetraelectron compounds as a system of bicomponent chemical compounds

    Energy Technology Data Exchange (ETDEWEB)

    Vigdorovich, V.N.; Dzhuraev, T.D.

    1985-03-01

    Analogs and prototypes of the compounds supplementing the system of isoelectron isonuclear series of holovalent tetraelectron compounds by Gorunova are revealed. The investigation of all series of tetraelectron ovalenthol compounds allows one to supplement the variety of known series used for regular tracing and forecasting of compound properties (series of cation and anion substitutions by isonuclear series of the A/sup 4/B/sup 4/, A/sup 3/B/sup 5/, A/sup 1/B/sup 7/ type and others compounds. The above series for medium ordinal numbers anti Z equal 10, 14, 18, 23 and 36 permit to illustrate the possibility of existence of such analogs or series, for example for the compounds of the type A/sup 3/-- B/sup 5/:AlN-BP or Z=1(f AlP-ScN-BV (for Z=14), ScP-AlV (for Z=18), GaP-AlAs-YN-BNb (for Z=23) and YAs-GaNb-InV-ScSb-LaP-AlPr (for Z=36).

  12. Dynamics of photoexcited quasiparticles in heavy electron compounds

    International Nuclear Information System (INIS)

    Demsar, Jure; Sarrao, John L; Taylor, Antoinette J

    2006-01-01

    Femtosecond real-time spectroscopy is an emerging new tool for studying low energy electronic structure in correlated electron systems. Motivated by recent advances in understanding the nature of relaxation phenomena in various correlated electron systems (superconductors, density wave systems) the technique has been applied to heavy electron compounds in comparison with their non-magnetic counterparts. While the dynamics in their non-magnetic analogues are similar to the dynamics observed in noble metals (only weak temperature dependences are observed) and can be treated with a simple two-temperature model, the photoexcited carrier dynamics in heavy electron systems show dramatic changes as a function of temperature and excitation level. In particular, below some characteristic temperature the relaxation rate starts to decrease, dropping by more than two orders of magnitude upon cooling down to liquid He temperatures. This behaviour has been consistently observed in various heavy fermion metals as well as Kondo insulators, and is believed to be quite general. In order to account for the experimental observations, two theoretical models have been proposed. The first treats the heavy electron systems as simple metals with very flat electron dispersion near the Fermi level. An electron-phonon thermalization scenario can account for the observed slowing down of the relaxation provided that there exists a mechanism for suppression of electron-phonon scattering when both the initial and final electronic states lie in the region of flat dispersion. An alternative scenario argues that the relaxation dynamics in heavy electron systems are governed by the Rothwarf-Taylor bottleneck, where the dynamics are governed by the presence of a narrow gap in the density of states near the Fermi level. The so-called hybridization gap results from hybridization between localized moments and the conduction electron background. Remarkable agreement with the model suggests that carrier

  13. 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.

  14. 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.

  15. 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

  16. Fig volatile compounds--a first comparative study.

    Science.gov (United States)

    Grison-Pigé, Laure; Hossaert-McKey, Martine; Greeff, Jaco M; Bessière, Jean-Marie

    2002-09-01

    We analysed the compounds of volatile blends released by receptive figs of twenty Ficus species to attract their specific pollinating wasps. In all, 99 different compounds were identified. The compounds are mainly terpenoids, aliphatic compounds and products from the shikimic acid pathway. In each species blend, there are few major compounds, which are generally common among floral fragrances. Most species blends also include rare compounds, but generally their proportion in the blend is low. A possible basis for species-specificity of Ficus-wasp interactions is discussed in relation to the patterns of volatiles found in this interspecies comparison. Copyright 2002 Elsevier Science Ltd.

  17. 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.

  18. National intelligence estimates and the Failed State Index.

    Science.gov (United States)

    Voracek, Martin

    2013-10-01

    Across 177 countries around the world, the Failed State Index, a measure of state vulnerability, was reliably negatively associated with the estimates of national intelligence. Psychometric analysis of the Failed State Index, compounded of 12 social, economic, and political indicators, suggested factorial unidimensionality of this index. The observed correspondence of higher national intelligence figures to lower state vulnerability might arise through these two macro-level variables possibly being proxies of even more pervasive historical and societal background variables that affect both.

  19. 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.

  20. 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.

  1. Electrohydrodynamics of a concentric compound drop in an AC electric field

    Science.gov (United States)

    Soni, Purushottam; Thaokar, Rochish M.; Juvekar, Vinay A.

    2018-03-01

    The dynamics of a compound drop suspended in another immiscible fluid in the presence of an AC electric field is investigated experimentally and using analytical theory. A closed-form analytical expression for the mean deformation and amplitude of deformation at cyclical steady state is derived in the small deformation limit. Experiments were performed with 0.1M NaCl/castor oil compound drops suspended in highly viscous silicone oil. In this case, both the core and the shell deform into prolate spheroids. The effect of two independent variables was investigated, namely, the ratio of the core radius to the shell radius and the frequency (ω) of the applied AC field. In the limit of ω → 0, the present analytical model reduces to the DC electric field model for the compound drop. It was observed that the size of the core significantly affects the dynamics of the compound drop. The mean and the amplitude of deformation of the shell increase considerably with an increase in the radius ratio. Since the present model is valid for a small deviation from a spherical shape, an excellent quantitative agreement is found between analytical and experimental results at low deformation, whereas, at large deformation, the match is only qualitative. It was also observed that the relative phase difference between the core and the shell decreases with an increase in the radius ratio and frequency of the applied electric field.

  2. Estimating heats of detonation and detonation velocities of aromatic energetic compounds

    Energy Technology Data Exchange (ETDEWEB)

    Keshavarz, Mohammad Hossein [Department of Chemistry, Malek-ashtar University of Technology, Shahin-shahr, P. O. Box 83145/115 (Iran)

    2008-12-15

    A new method is introduced to predict reliable estimation of heats of detonation of aromatic energetic compounds. At first step, this procedure assumes that the heat of detonation of an explosive compound of composition C{sub a}H{sub b}N{sub c}O{sub d} can be approximated as the difference between the heat of formation of all H{sub 2}O-CO{sub 2} arbitrary (H{sub 2}O, CO{sub 2}, N{sub 2}) detonation products and that of the explosive, divided by the formula weight of the explosive. Overestimated results based on (H{sub 2}O-CO{sub 2} arbitrary) can be corrected in the next step. Predicted heats of detonation of pure energetic compounds with the product H{sub 2}O in the liquid state for 31 aromatic energetic compounds have a root mean square (rms) deviation of 2.08 and 0.34 kJ g{sup -1} from experiment for (H{sub 2}O-CO{sub 2} arbitrary) and new method, respectively. The new method also gives good results as compared to the second sets of decomposition products, which consider H{sub 2},N{sub 2}, H{sub 2}O,CO, and CO{sub 2} as major gaseous products. It is shown here how the predicted heats of detonation by the new method can be used to obtain reliable estimation of detonation velocity over a wide range of loading densities. (Abstract Copyright [2008], Wiley Periodicals, Inc.)

  3. Robust flat bands in RCo5 (R=rare earth) compounds

    OpenAIRE

    Ochi, Masayuki; Arita, Ryotaro; Matsumoto, Munehisa; Kino, Hiori; Miyake, Takashi

    2014-01-01

    The mechanism to realize the peculiar flat bands generally existing in RCo5 (R=rare earth) compounds is clarified by analyzing the first-principles band structures and the tight-binding model. These flat bands are constructed from the localized eigenstates, the existence of which is guaranteed by the partial cancelation between the intersite hopping amplitudes among the Co-3d states at the Kagome sites and those between the Kagome and honeycomb sites. Their relative positions to other bands c...

  4. 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

  5. Investigation into organic boron compounds complexing. 25. Triaryl borane complexes with benzimidazole

    Energy Technology Data Exchange (ETDEWEB)

    Belonovich, M I; Lapkin, I I; Morozova, T L; Okatysheva, L Yu; Rybakova, M N; Yuzhakova, G A [Permskij Gosudarstvennyj Univ. (USSR)

    1984-02-01

    Coordination of organic boron compounds with heterocyclic ligands is studied. Substances containing one molecule of ligand per one molecule of triarylborane are extracted when mixing ether solution of triarylborane and alcohol solution of benzimidazole. Based on IR spectra it is stated that coordination with boron is realized at the expense of pyridine nitrogen atom of imidazole cycle. Dipole momenta are determined for synthesized complexes using Debye method.

  6. Within-subjects assessment of the within-compound associations resulting from intermixed and blocked preexposure schedules.

    Science.gov (United States)

    Rodríguez, Gabriel; Alonso, Gumersinda

    2015-03-01

    Nonhungry rats received training consisting of intermixed presentations of a compound flavor and an element of that compound (AX, X, AX, X, . . .), and then a separate block of presentations of another compound (BX, BX, BX, . . .). Stimuli A and B were two odor solutions (almond and vanilla), and stimulus X was a highly concentrated solution of sucrose. After training, a state of hunger was induced in the rats, and their consumption levels of A and B alone were tested. We found higher test consumption of B than of A (Exp. 1). We interpreted these differences as indicating that the B-X association had become stronger than the A-X association as a result of the training. In Experiment 2, we demonstrated that the presence of X during training was necessary for that effect to appear (Exp. 2). These results give support to the recent proposal that within-compound associations are maintained better by blocked than by intermixed preexposure (Rodríguez & Alonso, 2014). We discuss the implications of this difference for explaining the intermixed-blocked perceptual-learning effect.

  7. Bioconcentration factors and plant-water partition coefficients of munitions compounds in barley.

    Science.gov (United States)

    Torralba-Sanchez, Tifany L; Kuo, Dave T F; Allen, Herbert E; Di Toro, Dominic M

    2017-12-01

    Plants growing in the soils at military ranges and surrounding locations are exposed, and potentially able to uptake, munitions compounds (MCs). The extent to which a compound is transferred from the environment into organisms such as plants, referred to as bioconcentration, is conventionally measured through uptake experiments with field/synthetic soils. Multiple components/phases that vary among different soil types and affect the bioavailability of the MC, however, hinder the ability to separate the effects of soil characteristics from the MC chemical properties on the resulting plant bioconcentration. To circumvent the problem, this work presents a protocol to measure steady state bioconcentration factors (BCFs) for MCs in barley (Hordeum vulgare L.) using inert laboratory sand rather than field/synthetic soils. Three MCs: 2,4,6-trinitrotoluene (TNT), 2,4-dinitrotoluene (2,4-DNT), and 2,4-dinitroanisole (2,4-DNAN), and two munition-like compounds (MLCs): 4-nitroanisole (4-NAN) and 2-methoxy-5-nitropyridine (2-M-5-NPYNE) were evaluated. Approximately constant plant biomass and exposure concentrations were achieved within a one-month period that produced steady state log BCF values: 0.62 ± 0.02, 0.70 ± 0.03, 1.30 ± 0.06, 0.52 ± 0.03, and 0.40 ± 0.05 L kg plant dwt -1 for TNT, 2,4-DNT, 2,4-DNAN, 4-NAN, and 2-M-5-NPYNE, respectively. Furthermore, results suggest that the upper-bounds of the BCFs can be estimated within an order of magnitude by measuring the partitioning of the compounds between barley biomass and water. This highlights the importance of partition equilibrium as a mechanism for the uptake of MCs and MLCs by barley from interstitial water. The results from this work provide chemically meaningful data for prediction models able to estimate the bioconcentration of these contaminants in plants. Copyright © 2017 Elsevier Ltd. All rights reserved.

  8. Novel CLCN7 compound heterozygous mutations in intermediate autosomal recessive osteopetrosis.

    Science.gov (United States)

    Okamoto, Nana; Kohmoto, Tomohiro; Naruto, Takuya; Masuda, Kiyoshi; Komori, Takahide; Imoto, Issei

    2017-01-01

    Osteopetrosis is a heritable disorder of the skeleton that is characterized by increased bone density on radiographs caused by defects in osteoclast formation and function. Mutations in >10 genes are identified as causative for this clinically and genetically heterogeneous disease in humans. We report two novel missense variations in a compound heterozygous state in the CLCN7 gene, detected through targeted exome sequencing, in a 15-year-old Japanese female with intermediate autosomal recessive osteopetrosis.

  9. 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.

  10. 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.

  11. Marijuana Compounds: A Nonconventional Approach to Parkinson’s Disease Therapy

    Directory of Open Access Journals (Sweden)

    Mariana Babayeva

    2016-01-01

    Full Text Available Parkinson’s disease (PD, a neurodegenerative disorder, is the second most common neurological illness in United States. Neurologically, it is characterized by the selective degeneration of a unique population of cells, the nigrostriatal dopamine neurons. The current treatment is symptomatic and mainly involves replacement of dopamine deficiency. This therapy improves only motor symptoms of Parkinson’s disease and is associated with a number of adverse effects including dyskinesia. Therefore, there is unmet need for more comprehensive approach in the management of PD. Cannabis and related compounds have created significant research interest as a promising therapy in neurodegenerative and movement disorders. In this review we examine the potential benefits of medical marijuana and related compounds in the treatment of both motor and nonmotor symptoms as well as in slowing the progression of the disease. The potential for cannabis to enhance the quality of life of Parkinson’s patients is explored.

  12. Energy cascades, excited state dynamics, and photochemistry in cob(III)alamins and ferric porphyrins.

    Science.gov (United States)

    Rury, Aaron S; Wiley, Theodore E; Sension, Roseanne J

    2015-03-17

    Porphyrins and the related chlorins and corrins contain a cyclic tetrapyrrole with the ability to coordinate an active metal center and to perform a variety of functions exploiting the oxidation state, reactivity, and axial ligation of the metal center. These compounds are used in optically activated applications ranging from light harvesting and energy conversion to medical therapeutics and photodynamic therapy to molecular electronics, spintronics, optoelectronic thin films, and optomagnetics. Cobalt containing corrin rings extend the range of applications through photolytic cleavage of a unique axial carbon-cobalt bond, permitting spatiotemporal control of drug delivery. The photochemistry and photophysics of cyclic tetrapyrroles are controlled by electronic relaxation dynamics including internal conversion and intersystem crossing. Typically the electronic excitation cascades through ring centered ππ* states, ligand to metal charge transfer (LMCT) states, metal to ligand charge transfer (MLCT) states, and metal centered states. Ultrafast transient absorption spectroscopy provides a powerful tool for the investigation of the electronic state dynamics in metal containing tetrapyrroles. The UV-visible spectrum is sensitive to the oxidation state, electronic configuration, spin state, and axial ligation of the central metal atom. Ultrashort broadband white light probes spanning the range from 270 to 800 nm, combined with tunable excitation pulses, permit the detailed unravelling of the time scales involved in the electronic energy cascade. State-of-the-art theoretical calculations provide additional insight required for precise assignment of the states. In this Account, we focus on recent ultrafast transient absorption studies of ferric porphyrins and corrin containing cob(III)alamins elucidating the electronic states responsible for ultrafast energy cascades, excited state dynamics, and the resulting photoreactivity or photostability of these compounds. Iron

  13. 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...

  14. A compound memristive synapse model for statistical learning through STDP in spiking neural networks

    Directory of Open Access Journals (Sweden)

    Johannes eBill

    2014-12-01

    Full Text Available Memristors have recently emerged as promising circuit elements to mimic the function of biological synapses in neuromorphic computing. The fabrication of reliable nanoscale memristive synapses, that feature continuous conductance changes based on the timing of pre- and postsynaptic spikes, has however turned out to be challenging. In this article, we propose an alternative approach, the compound memristive synapse, that circumvents this problem by the use of memristors with binary memristive states. A compound memristive synapse employs multiple bistable memristors in parallel to jointly form one synapse, thereby providing a spectrum of synaptic efficacies. We investigate the computational implications of synaptic plasticity in the compound synapse by integrating the recently observed phenomenon of stochastic filament formation into an abstract model of stochastic switching. Using this abstract model, we first show how standard pulsing schemes give rise to spike-timing dependent plasticity (STDP with a stabilizing weight dependence in compound synapses. In a next step, we study unsupervised learning with compound synapses in networks of spiking neurons organized in a winner-take-all architecture. Our theoretical analysis reveals that compound-synapse STDP implements generalized Expectation-Maximization in the spiking network. Specifically, the emergent synapse configuration represents the most salient features of the input distribution in a Mixture-of-Gaussians generative model. Furthermore, the network’s spike response to spiking input streams approximates a well-defined Bayesian posterior distribution. We show in computer simulations how such networks learn to represent high-dimensional distributions over images of handwritten digits with high fidelity even in presence of substantial device variations and under severe noise conditions. Therefore, the compound memristive synapse may provide a synaptic design principle for future neuromorphic

  15. A compound memristive synapse model for statistical learning through STDP in spiking neural networks.

    Science.gov (United States)

    Bill, Johannes; Legenstein, Robert

    2014-01-01

    Memristors have recently emerged as promising circuit elements to mimic the function of biological synapses in neuromorphic computing. The fabrication of reliable nanoscale memristive synapses, that feature continuous conductance changes based on the timing of pre- and postsynaptic spikes, has however turned out to be challenging. In this article, we propose an alternative approach, the compound memristive synapse, that circumvents this problem by the use of memristors with binary memristive states. A compound memristive synapse employs multiple bistable memristors in parallel to jointly form one synapse, thereby providing a spectrum of synaptic efficacies. We investigate the computational implications of synaptic plasticity in the compound synapse by integrating the recently observed phenomenon of stochastic filament formation into an abstract model of stochastic switching. Using this abstract model, we first show how standard pulsing schemes give rise to spike-timing dependent plasticity (STDP) with a stabilizing weight dependence in compound synapses. In a next step, we study unsupervised learning with compound synapses in networks of spiking neurons organized in a winner-take-all architecture. Our theoretical analysis reveals that compound-synapse STDP implements generalized Expectation-Maximization in the spiking network. Specifically, the emergent synapse configuration represents the most salient features of the input distribution in a Mixture-of-Gaussians generative model. Furthermore, the network's spike response to spiking input streams approximates a well-defined Bayesian posterior distribution. We show in computer simulations how such networks learn to represent high-dimensional distributions over images of handwritten digits with high fidelity even in presence of substantial device variations and under severe noise conditions. Therefore, the compound memristive synapse may provide a synaptic design principle for future neuromorphic architectures.

  16. 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.

  17. 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

  18. Investigations of the isospin in the highly excited compound nuclei 52Cr and 58Co

    International Nuclear Information System (INIS)

    Roth, K.

    1978-01-01

    The influence of T states excited by p bombardment on the quantities in the correlation function is investigated by means of a fluctuation analysis of the excitation function in the p and α decay channels of the compound nuclei 52 Cr and 58 Co. (AH) [de

  19. The behavior of intermetallic compounds at large plastic strains

    International Nuclear Information System (INIS)

    Gray, G.T.; Embury, J.D.

    1993-01-01

    This paper contains a summary of a broad study of intermetallics which includes the following materials, Ni 3 Al, Ti-48Al-1V, Ti-24Al-11Nb, Ti-48Al-2Cr-2Nb, and Ti-24.5 Al-10.5Nb-1.5Mo. Much effort has been devoted to the study of ordered materials at modes plastic strains and the problem of premature failure. However by utilizing stress states other than simple tension it is possible to study the deformation of intermetallic compounds up to large plastic strains and to consider the behavior of these materials in the regime where stresses approach the theoretical stress. The current work outlines studies of the work hardening rate of a number of titanium and nickel-based intermetallic compounds deformed in compression. Attention is given to the structural basis of the sustained work hardening. The large strain plasticity of these materials is summarized in a series of diagrams. Fracture in these materials in compression occurs via catastrophic shear at stresses of the order of E/80 (where E is the elastic modulus)

  20. High-Pressure Reactivity of Kr and F2—Stabilization of Krypton in the +4 Oxidation State

    Directory of Open Access Journals (Sweden)

    Dominik Kurzydłowski

    2017-10-01

    Full Text Available Since the synthesis of the first krypton compound, several other Kr-bearing connections have been obtained. However, in all of them krypton adopts the +2 oxidation state, in contrast to xenon which forms numerous compounds with an oxidation state as high as +8. Motivated by the possibility of thermodynamic stabilization of exotic compounds with the use of high pressure (exceeding 1 GPa = 10 kbar, we present here theoretical investigations into the chemistry of krypton and fluorine at such large compression. In particular we focus on krypton tetrafluoride, KrF4, a molecular crystal in which krypton forms short covalent bonds with neighboring fluorine atoms thus adopting the +4 oxidation state. We find that this hitherto unknown compound can be stabilized at pressures below 50 GPa. Our results indicate also that, at larger compressions, a multitude of other KrmFn fluorides should be stable, among them KrF which exhibits covalent Kr–Kr bonds. Our results set the stage for future high-pressure synthesis of novel krypton compounds.

  1. Yield stress of duplex stainless steel specimens estimated using a compound Hall–Petch equation

    Directory of Open Access Journals (Sweden)

    Noriaki Hirota, Fuxing Yin, Tsukasa Azuma and Tadanobu Inoue

    2010-01-01

    Full Text Available In this study, the 0.2% yield stress of duplex stainless steel was evaluated using a compound Hall–Petch equation. The compound Hall–Petch equation was derived from four types of duplex stainless steel, which contained 0.2–64.4 wt% δ-ferrite phase, had different chemical compositions and were annealed at different temperatures. Intragranular yield stress was measured with an ultra-microhardness tester and evaluated with the yield stress model proposed by Dao et al. Grain size, volume fraction and texture were monitored by electron backscattering diffraction measurement. The kγ constant in the compound equation for duplex stainless steel agrees well with that for γ-phase SUS316L steel in the temperature range of 1323–1473 K. The derived compound Hall–Petch equation predicts that the yield stress will be in good agreement with the experimental results for the Cr, Mn, Si, Ni and N solid-solution states. We find that the intragranular yield stress of the δ-phase of duplex stainless steel is rather sensitive to the chemical composition and annealing conditions, which is attributed to the size misfit parameter.

  2. 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.)

  3. Resistance to phenicol compounds following adaptation to quaternary ammonium compounds in Escherichia coli.

    Science.gov (United States)

    Soumet, C; Fourreau, E; Legrandois, P; Maris, P

    2012-07-06

    Bacterial adaptation to quaternary ammonium compounds (QACs) is mainly documented for benzalkonium chloride (BC) and few data are available for other QACs. The aim of this study was to assess the effects of repeated exposure to different quaternary ammonium compounds (QACs) on the susceptibility and/or resistance of bacteria to other QACs and antibiotics. Escherichia coli strains (n=10) were adapted by daily exposure to increasingly sub-inhibitory concentrations of a QAC for 7 days. Three QACs were studied. Following adaptation, we found similar levels of reduction in susceptibility to QACs with a mean 3-fold increase in the minimum inhibitory concentration (MIC) compared to initial MIC values, whatever the QAC used during adaptation. No significant differences in antibiotic susceptibility were observed between the tested QACs. Antibiotic susceptibility was reduced from 3.5- to 7.5-fold for phenicol compounds, β lactams, and quinolones. Increased MIC was associated with a shift in phenotype from susceptible to resistant for phenicol compounds (florfenicol and chloramphenicol) in 90% of E. coli strains. Regardless of the QAC used for adaptation, exposure to gradually increasing concentrations of this type of disinfectant results in reduced susceptibility to QACs and antibiotics as well as cross-resistance to phenicol compounds in E. coli strains. Extensive use of QACs at sub-inhibitory concentrations may lead to the emergence of antibiotic-resistant bacteria and may represent a public health risk. Published by Elsevier B.V.

  4. Magnetic and transport properties of EuNi(Si1-xGex)3 compounds

    International Nuclear Information System (INIS)

    Uchima, K; Takaesu, Y; Akamine, H; Kakihana, M; Tomori, K; Uejo, T; Teruya, A; Nakamura, A; Hedo, M; Nakama, T; Yagasaki, K; Matsubayashi, K; Uwatoko, Y

    2014-01-01

    The magnetization M, electrical resistivity ρ, thermopower S and specific heat C of EuNi(Si 1-x Ge x ) 3 compounds have been measured at temperatures from 2 to 300 K. For the compounds of EuNi(Si 1-x Ge x ) 3 , we obtained an effective magnetic moment of μ eff ∼ 7.7 μ B , which is close to the divalent Eu value of μ eff =7.94 μ B . All compounds of EuNi(Si 1-x Ge x ) 3 order antiferromagnetically. The Néel temperature T N decreases monotonously with increasing the Ge concentration x from T N =49 K for EuNiSi 3 to T N =14 K for EuNiGe 3 . In the low temperature region below T N , anomalies corresponding to an additional magnetic phase transition into ferromagnetic state for compounds with x < 0.3, and into another antiferromagnetic for x > 0.3 were observed. The Curie temperature T C rapidly decreases with increasing x and vanishes at x ≈ 0.3. It is found that the magnetic phase transition temperatures of T N and T C in EuNi(Si 1-x Ge x ) 3 are strongly connected with the change of volume induced by the atomic substitution of Si by Ge

  5. THE COMPOUND NOUNS BETWEEN ENGLISH AND ALBANIAN LANGUAGE

    OpenAIRE

    Shkelqim Millaku; Xhevahire Topanica

    2016-01-01

    The compound words are all the words that are compound from two or more words and both of them creative the new words with the new meaning. In linguistics, a compound is a lexeme (less precisely, a word) that consists of more than one stem. Compounding or composition is the word-formation that creates compound lexemes (the other word-formation process being derivation). Compounding or Word-compounding refers to the faculty and device of language to form new words by combining or putting toget...

  6. The influence of coordination geometry and valency on the K-edge absorption near edge spectra of selected chromium compounds

    International Nuclear Information System (INIS)

    Pantelouris, A.; Modrow, H.; Pantelouris, M.; Hormes, J.; Reinen, D.

    2004-01-01

    X-ray absorption spectra at the chromium K-edge are reported for a number of selected chromium compounds of known chemical structure. The spectra were obtained with use of synchrotron radiation available at the ELectron Stretcher Accelerator ELSA in Bonn. The compounds studied include the tetrahedrally coordinated compounds Ca 2 Ge 0.8 Cr 0.2 O 4 , Ba 2 Ge 0.1 Cr 0.9 O 4 , Sr 2 CrO 4 , Ca 2 (PO 4 ) x (CrO 4 ) 1-x Cl (x=0.25,0.5), Ca 5 (CrO 4 ) 3 Cl, CrO 3 , the octahedrally coordinated compounds Cr(II)-acetate, CrCl 3 , CrF 3 , Cr 2 O 3 , KCr(SO 4 ) 2 · 12H 2 O, CrO 2 and cubic coordinated metallic chromium. In these compounds chromium exhibits a wide range of formal oxidation states (0 to VI). The absorption features in the near edge region are shown to be characteristic of the spatial environment of the absorbing atom. The occurrence of a single pre-edge line easily allows one to distinguish between tetrahedral and octahedral coordination geometry, whereas the energy position of the absorption edge is found to be very sensitive to the valency of the excited chromium atom. Calculations of the ionisation potential of Cr in different oxidation states using the non-relativistic Hartree-Fock method (Froese-Fischer) confirm that the ionisation limit shifts to higher energy with increasing Cr valency. More detailed information on the electronic structure of the different compounds is gained by real-space full multiple scattering calculations using the FEFF8 code

  7. The influence of coordination geometry and valency on the K-edge absorption near edge spectra of selected chromium compounds

    Science.gov (United States)

    Pantelouris, A.; Modrow, H.; Pantelouris, M.; Hormes, J.; Reinen, D.

    2004-05-01

    X-ray absorption spectra at the chromium K-edge are reported for a number of selected chromium compounds of known chemical structure. The spectra were obtained with use of synchrotron radiation available at the ELectron Stretcher Accelerator ELSA in Bonn. The compounds studied include the tetrahedrally coordinated compounds Ca 2Ge 0.8Cr 0.2O 4, Ba 2Ge 0.1Cr 0.9O 4, Sr 2CrO 4, Ca 2(PO 4) x(CrO 4) 1- xCl ( x=0.25,0.5), Ca 5(CrO 4) 3Cl, CrO 3, the octahedrally coordinated compounds Cr(II)-acetate, CrCl 3, CrF 3, Cr 2O 3, KCr(SO 4) 2 · 12H 2O, CrO 2 and cubic coordinated metallic chromium. In these compounds chromium exhibits a wide range of formal oxidation states (0 to VI). The absorption features in the near edge region are shown to be characteristic of the spatial environment of the absorbing atom. The occurrence of a single pre-edge line easily allows one to distinguish between tetrahedral and octahedral coordination geometry, whereas the energy position of the absorption edge is found to be very sensitive to the valency of the excited chromium atom. Calculations of the ionisation potential of Cr in different oxidation states using the non-relativistic Hartree-Fock method (Froese-Fischer) confirm that the ionisation limit shifts to higher energy with increasing Cr valency. More detailed information on the electronic structure of the different compounds is gained by real-space full multiple scattering calculations using the FEFF8 code.

  8. Generalized correlation of latent heats of vaporization of coal liquid model compounds between their freezing points and critical points

    Energy Technology Data Exchange (ETDEWEB)

    Sivaraman, A.; Kobuyashi, R.; Mayee, J.W.

    1984-02-01

    Based on Pitzer's three-parameter corresponding states principle, the authors have developed a correlation of the latent heat of vaporization of aromatic coal liquid model compounds for a temperature range from the freezing point to the critical point. An expansion of the form L = L/sub 0/ + ..omega..L /sub 1/ is used for the dimensionless latent heat of vaporization. This model utilizes a nonanalytic functional form based on results derived from renormalization group theory of fluids in the vicinity of the critical point. A simple expression for the latent heat of vaporization L = D/sub 1/epsilon /SUP 0.3333/ + D/sub 2/epsilon /SUP 0.8333/ + D/sub 4/epsilon /SUP 1.2083/ + E/sub 1/epsilon + E/sub 2/epsilon/sup 2/ + E/sub 3/epsilon/sup 3/ is cast in a corresponding states principle correlation for coal liquid compounds. Benzene, the basic constituent of the functional groups of the multi-ring coal liquid compounds, is used as the reference compound in the present correlation. This model works very well at both low and high reduced temperatures approaching the critical point (0.02 < epsilon = (T /SUB c/ - T)/(T /SUB c/- 0.69)). About 16 compounds, including single, two, and three-ring compounds, have been tested and the percent root-mean-square deviations in latent heat of vaporization reported and estimated through the model are 0.42 to 5.27%. Tables of the coefficients of L/sub 0/ and L/sub 1/ are presented. The contributing terms of the latent heat of vaporization function are also presented in a table for small increments of epsilon.

  9. 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.

  10. Tris(bis(trimethylsilyl)amido)uranium: Compounds with tri-, tetra-, and penta-valent uranium

    Energy Technology Data Exchange (ETDEWEB)

    Stewart, J.L.

    1988-04-01

    This trivalent uranium compound, serves as a precursor to new tri-, tetra-, and penta-valent uranium species. The geometry about the U atom is pyramidal. Lewis-base coordination compounds of U(N(SiMe/sub 3/)/sub 2/)/sub 3/ with a one-to-one- ratio of Lewis base to uranium were isolated with pyridine, 4-dimethylamino-pyridine, 2,6-Me/sub 2/-C/sub 6/H/sub 3/NC, and TPO. Two-to-one coordination compounds were obtained with t-butylnitrile and t-butylisocyanide. Compounds with more sterically demanding bases could not be isolated. The expected decrease in U-N(SiMe/sub 3/)/sub 2/ bond length with increase in oxidation state is not observed. Reaction of ClU(N(SiMe/sub 3/)/sub 2/)/sub 3/and Li(NH(p-tolyl)) yields the uranium (IV) dimer, U/sub 2/(N(SiMe/sub 3/)/sub 2/)/sub 4/(..mu..-N(p-tolyl))/sub 2/. Reaction with 2,4,6-triemethylaniline produces a dimer. Analogous substitution products could not be obtained with aniline or p-toluidine. t-Bu/sub 3/CO/sup /minus//, t-Bu/sub 2/CHO/sup /minus//, and t-Bu/sub 3/SiO/sup /minus// are used to synthesize new tetravalent, mononuclear uranium compounds. Reaction of ClU(tritox)/sub 3/ with alkyllithium reagents leads to isolation of RU(tritox)/sub 3/. The reaction of U(ditox)/sub 4/ with MeLi affords the addition product U(ditox)/sub 4/(Me)Li, whose crystal structure is described. Preparation of uranium silox compounds is reported. 97 refs., 26 figs., 39 tabs.

  11. Organic compounds in White River water used for public supply near Indianapolis, Indiana, 2002-05

    Science.gov (United States)

    Lathrop, Tim; Moran, Dan

    2011-01-01

    The National Water-Quality Assessment (NAWQA) Program of the U.S. Geological Survey (USGS) characterized the occurrence of 277 organic compounds in source water (stream water collected before treatment) and finished water (treated water before distribution) from the White River North treatment plant, one of several community water systems that use the White River as its primary water supply (fig. 1). Samples were collected at least monthly during 2002-05 and included 30 source- and 13 finished-water samples. The samples were analyzed for pesticides and selected pesticide degradates (or 'breakdown products'), solvents, gasoline hydrocarbons, disinfection by-products, personal-care and domestic-use products, and other organic compounds. Community water systems are required to monitor for compounds regulated under the Safe Drinking Water Act. Most of the compounds tested in this study are not regulated under U.S. Environmental Protection Agency (USEPA) federal drinking-water standards (U.S. Environmental Protection Agency, 2007a). The White River study is part of the ongoing Source Water-Quality Assessment (SWQA) investigation of community water systems that withdraw from rivers across the United States. More detailed information and references on the sampling-design methodology, specific compounds monitored, and the national study are described by Carter and others (2007).

  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. Detection of Organic Compounds in Ice Cores for Application to Palaeoclimate Reconstruction - Methodological Development

    Science.gov (United States)

    Giorio, C.; King, A. C. F.; Wolff, E. W.; Kalberer, M.; Thomas, E. R.; Mulvaney, R.

    2016-12-01

    Records of inorganic gases and particles trapped in ice core layers have provided some of the most important insights to our understanding of climate of the last 800,000 years. Organic compounds within the ice, however, are an un-tapped reservoir of information. In particular, two groups of compounds emitted from the terrestrial biosphere, fatty acids and terpene secondary oxidation aerosols (SOAs), display characteristics required for ice core paleoclimate reconstruction; emission rates depend on atmospheric states (e.g. temperature), compounds survive long-distance transport in the atmosphere to high altitudes and latitudes (Grannas et al., 2004; Fu et al., 2013 among others), and are shown to survive in ice layers up to 450 yrs old for fatty acids in Greenland (Kawamura et al., 1996) and 350 yrs for SOAs in Alaska (Pokhrel et al., 2015). Here, we aim to develop a single method for quantification of all compounds of interest over longer timescales and further locations using liquid chromatography (LC) ultrahigh resolution mass spectrometry (LTQ Orbitrap). Initial quantification of compound contamination from sources such as drilling fluids and storage bags, diffusing through outer ice core surfaces, suggests compound contamination is limited to the outer few mm's of ice over periods of a few months. Detection limits were in the order of 1-5 ppb for the compounds of interest, leading to the trial of pre-concentration methods using stir bar sorbtive extraction (SBSE) to facilitate detection of ppt concentration levels, as expected for these types of compounds based on previous analysis of snow samples (Pokhrel et al., 2015). Detection of these compounds seems highly viable, with promise for long-term records being achieved in the near future. Fu et al.(2013) Biogeosciences, 10(2), 653-667; Grannas et al.(2004) Global Biogeochem. Cycles, 18, GB1006; Kawamura et al.(1996) Geophys. Res. Lett., 23(19), 2665-2668; Pokhrel et al.(2015) Atmos. Environ., 130, 105-112.

  14. 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

  15. Electrochemical properties of copper-based compounds with polyanion frameworks

    Energy Technology Data Exchange (ETDEWEB)

    Mizuno, Yoshifumi; Hata, Shoma; Suzuki, Kota; Hirayama, Masaaki; Kanno, Ryoji, E-mail: kanno@echem.titech.ac.jp

    2016-03-15

    The copper-based polyanion compounds Li{sub 6}CuB{sub 4}O{sub 10} and Li{sub 2}CuP{sub 2}O{sub 7} were synthesized using a conventional solid-state reaction, and their electrochemical properties were determined. Li{sub 6}CuB{sub 4}O{sub 10} showed reversible capacity of 340 mA g{sup −1} at the first discharge–charge process, while Li{sub 2}CuP{sub 2}O{sub 7} showed large irreversible capacity and thus low charge capacity. Ex situ X-ray diffraction (XRD) and X-ray absorption near edge structure (XANES) measurements revealed that the electrochemical Li{sup +} intercalation/deintercalation reaction in Li{sub 6}CuB{sub 4}O{sub 10} occurred via reversible Cu{sup 2+}/Cu{sup +} reduction/oxidation reaction. These differences in their discharge/charge mechanisms are discussed based on the strength of the Cu–O covalency via their inductive effects. - Graphical abstract: Electrochemical properties for Cu-based polyanion compounds were investigated. The electrochemical reaction mechanisms are strongly affected by their Cu–O covalentcy. - Highlights: • Electrochemical properties of Cu-based polyanion compounds were investigated. • The Li{sup +} intercalation/deintercalation reaction progressed in Li{sub 6}CuB{sub 4}O{sub 10}. • The electrochemical displacement reaction progressed in Li{sub 2}CuP{sub 2}O{sub 7}. • The strength of Cu–O covalency affects the reaction mechanism.

  16. An ab initio investigation of vibrational, thermodynamic, and optical properties of Sc2AlC MAX compound

    International Nuclear Information System (INIS)

    Ali, M A; Nasir, M T; Khatun, M R; Naqib, S H; Islam, A K M A

    2016-01-01

    The structural vibrational, thermodynamical, and optical properties of potentially technologically important, weakly coupled MAX compound, Sc 2 AlC are calculated using density functional theory (DFT). The structural properties of Sc 2 AlC are compared with the results reported earlier. The vibrational, thermodynamical, and optical properties are theoretically estimated for the first time. The phonon dispersion curve is calculated and the dynamical stability of this compound is investigated. The optical and acoustic modes are observed clearly. We calculate the Helmholtz free energy ( F ), internal energy ( E ), entropy ( S ), and specific heat capacity ( C v ) from the phonon density of states. Various optical parameters are also calculated. The reflectance spectrum shows that this compound has the potential to be used as an efficient solar reflector. (paper)

  17. 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.

  18. The relation between lattice parameters of NaCl type U, Np and Pu compounds and their magnetic and binding properties

    International Nuclear Information System (INIS)

    Ohmichi, Toshihiko; Arai, Yasuo

    1992-01-01

    The lattice parameters of NaCl type uranium, neptunium and plutonium compounds are analyzed using Pauling equation. The numbers of bonding electrons and localized electrons of the compounds are calculated using the single bond radius by Pauling for metalloids and assumed ones for the actinides. The number of bonding electrons per unit bonding length can be correlated linearly with the uranium compounds. The number of localized electrons is found to have a speculative relation with magnetic properties, in particular magnetic moments in ordered state; excluding some compounds, the magnetic moments increase at a gradient of 45 degrees with increasing localized electrons in the range up to about 2.5 and then decrease to zero value roughly at a same gradient with increasing localized electrons. (author)

  19. Small-molecule fluorophores to detect cell-state switching in the context of high-throughput screening.

    Science.gov (United States)

    Wagner, Bridget K; Carrinski, Hyman A; Ahn, Young-Hoon; Kim, Yun Kyung; Gilbert, Tamara J; Fomina, Dina A; Schreiber, Stuart L; Chang, Young-Tae; Clemons, Paul A

    2008-04-02

    A small molecule capable of distinguishing the distinct states resulting from cellular differentiation would be of enormous value, for example, in efforts aimed at regenerative medicine. We screened a collection of fluorescent small molecules for the ability to distinguish the differentiated state of a mouse skeletal muscle cell line. High-throughput fluorescence-based screening of C2C12 myoblasts and myotubes resulted in the identification of six compounds with the desired selectivity, which was confirmed by high-content screening in the same cell states. The compound that resulted in the greatest fluorescence intensity difference between the cell states was used as the screening agent in a pilot screen of 84 kinase inhibitors, each present in four doses, for inhibition of myogenesis. Of the kinase inhibitors, 17 resulted in reduction of fluorescence at one or more concentrations; among the "hits" included known inhibitors of myogenesis, confirming that this compound is capable of detecting the differentiated myotube state. We suggest that the strategy of screening for screening agents reported here may be extended more broadly in the future.

  20. Phenolic compounds and antioxidant activity of kernels and shells of Mexican pecan (Carya illinoinensis).

    Science.gov (United States)

    de la Rosa, Laura A; Alvarez-Parrilla, Emilio; Shahidi, Fereidoon

    2011-01-12

    The phenolic composition and antioxidant activity of pecan kernels and shells cultivated in three regions of the state of Chihuahua, Mexico, were analyzed. High concentrations of total extractable phenolics, flavonoids, and proanthocyanidins were found in kernels, and 5-20-fold higher concentrations were found in shells. Their concentrations were significantly affected by the growing region. Antioxidant activity was evaluated by ORAC, DPPH•, HO•, and ABTS•-- scavenging (TAC) methods. Antioxidant activity was strongly correlated with the concentrations of phenolic compounds. A strong correlation existed among the results obtained using these four methods. Five individual phenolic compounds were positively identified and quantified in kernels: ellagic, gallic, protocatechuic, and p-hydroxybenzoic acids and catechin. Only ellagic and gallic acids could be identified in shells. Seven phenolic compounds were tentatively identified in kernels by means of MS and UV spectral comparison, namely, protocatechuic aldehyde, (epi)gallocatechin, one gallic acid-glucose conjugate, three ellagic acid derivatives, and valoneic acid dilactone.

  1. Coexisting Kondo singlet state with antiferromagnetic long-range order: A possible ground state for Kondo insulators

    International Nuclear Information System (INIS)

    Zhang Guangming; Yu Lu

    2000-04-01

    The ground-state phase diagram of a half-filled anisotropic Kondo lattice model is calculated within a mean-field theory. For small transverse exchange coupling J perpendicular perpendicular c1 , the ground state shows an antiferromagnetic long-range order with finite staggered magnetizations of both localized spins and conduction electrons. When J perpendicular > J perpendicular c2 , the long-range order is destroyed and the system is in a disordered Kondo singlet state with a hybridization gap. Both ground states can describe the low-temperature phases of Kondo insulating compounds. Between these two distinct phases, there may be a coexistent regime as a result of the balance between local Kondo screening and magnetic interactions. (author)

  2. Relationships among oxidation-reduction and acid-base properties of the actinides in high oxidation states

    International Nuclear Information System (INIS)

    Morss, L.R.

    1992-01-01

    The first chemical identification of plutonium, its subsequent isolation on the macroscopic scale, and more recent chemical separation schemes were achieved by taking advantage of the differences among the oxidation states of uranium, neptunium, and plutonium. Many acid-base properties modify the relative stabilities of oxidation states of the actinides. In the solid state, strongly basic compounds such as Cs 2 O yield complex oxides with oxidation states of Np(VII), Pu(VI), and Am(VI) whereas more acidic compounds such as CsF yield complex fluorides with lower oxidation states. In aqueous solution, high basicity and strongly covalent complexes favor high oxidation states. In nonaqueous solvent systems, high acidity generally favors low oxidation states. This paper elucidates and attempts to interpret the effects of these acid-base properties in a systematic fashion

  3. 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.

  4. Quinoline-Based Hybrid Compounds with Antimalarial Activity

    Directory of Open Access Journals (Sweden)

    Xhamla Nqoro

    2017-12-01

    Full Text Available The application of quinoline-based compounds for the treatment of malaria infections is hampered by drug resistance. Drug resistance has led to the combination of quinolines with other classes of antimalarials resulting in enhanced therapeutic outcomes. However, the combination of antimalarials is limited by drug-drug interactions. In order to overcome the aforementioned factors, several researchers have reported hybrid compounds prepared by reacting quinoline-based compounds with other compounds via selected functionalities. This review will focus on the currently reported quinoline-based hybrid compounds and their preclinical studies.

  5. Thermoelectric properties of quaternary (Bi,Sb){sub 2}(Te,Se){sub 3} compound

    Energy Technology Data Exchange (ETDEWEB)

    Lu, Pengfei, E-mail: photon.bupt@gmail.com [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); Li, Yiluan; Wu, Chengjie; Yu, Zhongyuan; Cao, Huawei; Zhang, Xianlong; Cai, Ningning; Zhong, Xuxia [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); 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)

    2014-01-25

    Highlights: • Sb and Se spin–orbit coupling play a key role in the band structure. • Substituted Bi/Sb and Te/Se have a limited impact on the transport coefficients. • n-Type doping will be preferred for quaternary (Bi,Sb){sub 2}(Te,Se){sub 3} compound. -- Abstract: The quaternary (Bi,Sb){sub 2}(Te,Se){sub 3} compounds are investigated using first-principles study and Boltzmann transport theory. 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. The figure of merit ZT is obtained assuming a constant relaxation time and an averaged thermal conductivity. Our theoretical result agrees well with previous experimental data.

  6. Impact of organic-mineral matter interactions on thermal reaction pathways for coal model compounds

    Energy Technology Data Exchange (ETDEWEB)

    Buchanan, A.C. III; Britt, P.F.; Struss, J.A. [Oak Ridge National Lab., TN (United States). Chemical and Analytical Sciences Div.

    1995-07-01

    Coal is a complex, heterogeneous solid that includes interdispersed mineral matter. However, knowledge of organic-mineral matter interactions is embryonic, and the impact of these interactions on coal pyrolysis and liquefaction is incomplete. Clay minerals, for example, are known to be effective catalysts for organic reactions. Furthermore, clays such as montmorillonite have been proposed to be key catalysts in the thermal alteration of lignin into vitrinite during the coalification process. Recent studies by Hatcher and coworkers on the evolution of coalified woods using microscopy and NMR have led them to propose selective, acid-catalyzed, solid state reaction chemistry to account for retained structural integrity in the wood. However, the chemical feasibility of such reactions in relevant solids is difficult to demonstrate. The authors have begun a model compound study to gain a better molecular level understanding of the effects in the solid state of organic-mineral matter interactions relevant to both coal formation and processing. To satisfy the need for model compounds that remain nonvolatile solids at temperatures ranging to 450 C, model compounds are employed that are chemically bound to the surface of a fumed silica (Si-O-C{sub aryl}linkage). The organic structures currently under investigation are phenethyl phenyl ether (C{sub 6}H{sub 5}CH{sub 2}CH{sub 2}OC{sub 6}H{sub 5}) derivatives, which serve as models for {beta}-alkyl aryl ether units that are present in lignin and lignitic coals. The solid-state chemistry of these materials at 200--450 C in the presence of interdispersed acid catalysts such as small particle size silica-aluminas and montmorillonite clay will be reported. Initial focus will be on defining the potential impact of these interactions on coal pyrolysis and liquefaction.

  7. 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.

  8. 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.

  9. 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

  10. Magnetic properties of singlet ground state systems

    International Nuclear Information System (INIS)

    Diederix, K.M.

    1979-01-01

    Experiments are described determining the properties of a magnetic system consisting of a singlet ground state. Cu(NO 3 ) 2 .2 1/2H 2 O has been studied which is a system of S = 1/2 alternating antiferromagnetic Heisenberg chains. The static properties, spin lattice relaxation time and field-induced antiferromagnetically ordered state measurements are presented. Susceptibility and magnetic cooling measurements of other compounds are summarised. (Auth.)

  11. NATO Advanced Study Institute on Mixed-Valence Compounds : Theory and Applications in Chemistry, Physics, Geology, and Biology

    CERN Document Server

    1980-01-01

    It has been a decade since two seminal reviews demonstrated that mixed-valence compounds share many unique and fascinating features. The insight pro­ vided by those early works has promoted a great deal of both experimental and theoretical study. As a result of extensive efforts, our understanding of the bonding and properties of mixed-valence compounds has advanced substantially. There has been no compre­ hensive treatment of mixed-valence compounds since 1967, and the meeting convened at Oxford in September, 1979, provided a unique opportunity to examine the subject and its many ramifications. Mixed-valence compounds play an important role in many fields. Although the major impact of the subject has been in chemistry, its importance has become increasingly clear in solid state physics, geology, and biology. Extensive interest and effort in the field of molecular metals has demonstrated that mixed-valency is a prerequisite for high elec­ trical conductivity. The intense colors of many minerals have been s...

  12. Therapeutic effect of the compound Danshen dripping pill combined with laser acupoint irradiation on early diabetic retinopathy

    Science.gov (United States)

    Liu, Hui-Hui; Xiong, Guo-Xin; Zhang, Li-Ping

    2017-06-01

    To investigate the therapeutic effect of the compound Danshen dripping pill combined with laser acupoint irradiation on early diabetic retinopathy, 19 patients with early diabetic retinopathy were randomly divided into a treatment group and a control group. The TaiYang, YangBai, YuYao and ZanZhu acupoints of patients in the treatment group were irradiated with a semiconductor laser combined with the oral compound Danshen dropping pills, while those in the control group only used the oral compound Danshen dropping pills. The indicators of vision, mean defect of light sensitivity in the visual field, renal function and fasting blood glucose, were examined to evaluate the efficacy. After treatment, the above indicators of patients in the two groups were significantly improved and there was a significant difference between the two groups. This showed that the compound Danshen dripping pills combined with the laser acupoint irradiation can improve the ischemic and anoxic state of early diabetic retinopathy and improve the visual field.

  13. 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

  14. 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

  15. 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...

  16. 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.

  17. 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.

  18. 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.

  19. 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...

  20. Removal of organic nitrogen compounds in LCO reduces the hydrodesulphurization severity

    Energy Technology Data Exchange (ETDEWEB)

    Yang, H.; Chen, J.; Ring, Z. [National Centre for Upgrading Technology, Devon, AB (Canada)

    2006-07-01

    Canada and the United States committed to reducing diesel sulphur from 500 to 15 part per million by 2006. Refineries could benefit from a better understanding of the effects of feed matrix on sulphur removal by hydrodesulphurization (HDS) in selecting the right feed or feed pre-treatment options for their existing HDS units and achieve the required sulphur level at minimum cost. This paper presented a study that examined the influence of nitrogen compounds on the HDS activities of substituted dibenzothiophenes in light oil cycle over a nitrogen/molybdenum on alumina oxide (Al{sub 2}O{sub 3}) commercial catalyst using five light cycle oil feeds with different concentrations of organic nitrogen compounds. The paper discussed experiments that were conducted under conditions close to industrial HDS processes. The paper addressed feed preparation; the nitrogen effect on HDS reactivity of dibenzothiophene, 4-methyldibenzothiophene, and 4,6-dimethyl dibenzothiophene; sulphur composition analysis; hydrodenitrogenation; and kinetic modeling. It was concluded that organic nitrogen compounds have more of an inhibition effect on sulphur removal by the hydrogenation pathway than by the hydrogenolysis pathway. Nitrogen removal by feed pre-treatment was found to be an attractive alternative to achieve the ultra-low sulphur goal. 26 refs., 3 tabs., 9 figs.

  1. Band structure of Heusler compounds studied by photoemission and tunneling spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Arbelo Jorge, Elena

    2011-07-01

    Heusler compounds are key materials for spintronic applications. They have attracted a lot of interest due to their half-metallic properties predicted by band structure calculations. The aim of this work is to evaluate experimentally the validity of the predictions of half metallicity by band structure calculations for two specific Heusler compounds, Co{sub 2}FeAl{sub 0.3}Si{sub 0.7} and Co{sub 2}MnGa. Two different spectroscopy methods for the analysis of the electronic properties were used: Angular Resolved Ultraviolet Photoemission Spectroscopy (ARUPS) and Tunneling Spectroscopy. Heusler compounds are prepared as thin films by RF-sputtering in an ultra high vacuum system. For the characterization of the samples, bulk and surface crystallographic and magnetic properties of Co{sub 2}FeAl{sub 0.3}Si{sub 0.7} and Co{sub 2}MnGa are studied. X-ray and electron diffraction reveal a bulk and surface crossover between two different types of sublattice order (from B2 to L2{sub 1}) with increasing annealing temperature. X-ray magnetic circular dichroism results show that the magnetic properties in the surface and bulk are identical, although the magnetic moments obtained are 5 % below from the theoretically predicted. By ARUPS evidence for the validity of the predicted total bulk density of states (DOS) was demonstrated for both Heusler compounds. Additional ARUPS intensity contributions close to the Fermi energy indicates the presence of a specific surface DOS. Moreover, it is demonstrated that the crystallographic order, controlled by annealing, plays an important role on broadening effects of DOS features. Improving order resulted in better defined ARUPS features. Tunneling magnetoresistance measurements of Co{sub 2}FeAl{sub 0.3}Si{sub 0.7} and Co{sub 2}MnGa based MTJ's result in a Co{sub 2}FeAl{sub 0.3}Si{sub 0.7} spin polarization of 44 %, which is the highest experimentally obtained value for this compound, although it is lower than the 100 % predicted. For Co

  2. Thioredoxin 1 modulates apoptosis induced by bioactive compounds in prostate cancer cells

    Directory of Open Access Journals (Sweden)

    Aida Rodriguez-Garcia

    2017-08-01

    Full Text Available Accumulating evidence suggests that natural bioactive compounds, alone or in combination with traditional chemotherapeutic agents, could be used as potential therapies to fight cancer. In this study, we employed four natural bioactive compounds (curcumin, resveratrol, melatonin, and silibinin and studied their role in redox control and ability to promote apoptosis in androgen sensitive and insensitive prostate cancer cells. Here is shown that curcumin and resveratrol promote ROS production and induce apoptosis in LNCaP and PC-3. An increase in reactive species is a trigger event in curcumin-induced apoptosis and a consequence of resveratrol effects on other pathways within these cells. Moreover, here we demonstrated that these four compounds affect differently one of the main intracellular redox regulator, the thioredoxin system. Exposure to curcumin and resveratrol promoted TRX1 oxidation and altered its subcellular location. Furthermore, resveratrol diminished TRX1 levels in PC-3 cells and increased the expression of its inhibitor TXNIP. Conversly, melatonin and silibinin only worked as cytostatic agents, reducing ROS levels and showing preventive effects against TRX oxidation. All together, this work explores the effect of compounds currently tested as chemo-preventive agents in prostate cancer therapy, on the TRX1 redox state and function. Our work shows the importance that the TRX system might have within the differences found in their mechanisms of action. These bioactive compounds trigger different responses and affect ROS production and redox systems in prostate cancer cells, suggesting the key role that redox-related pathways might play in processes like differentiation or survival in prostate cancer. Keywords: Thioredoxin, Thioredoxin reductase, TXNIP, Prostate cancer, Redox signaling, Apoptosis

  3. Alloy Design Data Generated for B2-Ordered Compounds

    Science.gov (United States)

    Noebe, Ronald D.; Bozzolo, Guillermo; Abel, Phillip B.

    2003-01-01

    Developing alloys based on ordered compounds is significantly more complicated than developing designs based on disordered materials. In ordered compounds, the major constituent elements reside on particular sublattices. Therefore, the addition of a ternary element to a binary-ordered compound is complicated by the manner in which the ternary addition is made (at the expense of which binary component). When ternary additions are substituted for the wrong constituent, the physical and mechanical properties usually degrade. In some cases the resulting degradation in properties can be quite severe. For example, adding alloying additions to NiAl in the wrong combination (i.e., alloying additions that prefer the Al sublattice but are added at the expense of Ni) will severely embrittle the alloy to the point that it can literally fall apart during processing on cooling from the molten state. Consequently, alloying additions that strongly prefer one sublattice over another should always be added at the expense of that component during alloy development. Elements that have a very weak preference for a sublattice can usually be safely added at the expense of either element and will accommodate any deviation from stoichiometry by filling in for the deficient component. Unfortunately, this type of information is not known beforehand for most ordered systems. Therefore, a computational survey study, using a recently developed quantum approximate method, was undertaken at the NASA Glenn Research Center to determine the preferred site occupancy of ternary alloying additions to 12 different B2-ordered compounds including NiAl, FeAl, CoAl, CoFe, CoHf, CoTi, FeTi, RuAl, RuSi, RuHf, RuTi, and RuZr. Some of these compounds are potential high temperature structural alloys; others are used in thin-film magnetic and other electronic applications. The results are summarized. The italicized elements represent the previous sum total alloying information known and verify the computational

  4. Investigation of thermoelectricity in KScSn half-Heusler compound

    Science.gov (United States)

    Shrivastava, Deepika; Acharya, Nikita; Sanyal, Sankar P.

    2018-05-01

    The electronic and transport properties of KScSn half-Heusler (HH) compound have been investigated using first-principles density functional theory and semi classical Boltzmann transport theory. The electronic band structure and density of states (total and partial) show semiconducting nature of KScSn with band gap 0.48 eV which agree well with previously reported results. The transport coefficient such as electrical conductivity, Seebeck coefficient, electronic thermal conductivity and power factor as a function of chemical potential are evaluated. KScSn has high power factor for p-type doping and is a potential candidate for thermoelectric applications.

  5. Carbonyl Compounds Generated from Electronic Cigarettes

    Directory of Open Access Journals (Sweden)

    Kanae Bekki

    2014-10-01

    Full Text Available Electronic cigarettes (e-cigarettes are advertised as being safer than tobacco cigarettes products as the chemical compounds inhaled from e-cigarettes are believed to be fewer and less toxic than those from tobacco cigarettes. Therefore, continuous careful monitoring and risk management of e-cigarettes should be implemented, with the aim of protecting and promoting public health worldwide. Moreover, basic scientific data are required for the regulation of e-cigarette. To date, there have been reports of many hazardous chemical compounds generated from e-cigarettes, particularly carbonyl compounds such as formaldehyde, acetaldehyde, acrolein, and glyoxal, which are often found in e-cigarette aerosols. These carbonyl compounds are incidentally generated by the oxidation of e-liquid (liquid in e-cigarette; glycerol and glycols when the liquid comes in contact with the heated nichrome wire. The compositions and concentrations of these compounds vary depending on the type of e-liquid and the battery voltage. In some cases, extremely high concentrations of these carbonyl compounds are generated, and may contribute to various health effects. Suppliers, risk management organizations, and users of e-cigarettes should be aware of this phenomenon.

  6. 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.)

  7. μSR and NMR study of the superconducting Heusler compound YPd2Sn

    Science.gov (United States)

    Saadaoui, H.; Shiroka, T.; Amato, A.; Baines, C.; Luetkens, H.; Pomjakushina, E.; Pomjakushin, V.; Mesot, J.; Pikulski, M.; Morenzoni, E.

    2013-09-01

    We report on muon-spin rotation and relaxation (μSR) and 119Sn nuclear magnetic resonance (NMR) measurements to study the microscopic superconducting and magnetic properties of the Heusler compound with the highest superconducting transition temperature, YPd2Sn (Tc=5.4 K). Measurements in the vortex state provide the temperature dependence of the effective magnetic penetration depth λ(T) and the field dependence of the superconducting gap Δ(0). The results are consistent with a very dirty s-wave BCS superconductor with a gap Δ(0)=0.85(3) meV, λ(0)=212(1) nm, and a Ginzburg-Landau coherence length ξGL(0)≅23 nm. In spite of its very dirty character, the effective density of condensed charge carriers is high compared to that in the normal state. The μSR data in a broad range of applied fields are well reproduced by taking into account a field-related reduction of the effective superconducting gap. Zero-field μSR measurements, sensitive to the possible presence of very small magnetic moments, do not show any indications of magnetism in this compound.

  8. 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.

  9. 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.

  10. 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.

  11. 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.

  12. 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.

  13. Failure of the statistical hypothesis for compound nucleus decay

    International Nuclear Information System (INIS)

    Chrien, R.E.

    1976-01-01

    In the past five years, conclusive evidence has accumulated that channel correlations are important in resonance reactions. Experiments showing the failure of the statistical hypothesis for compound nucleus decay are described. The emphasis is on the radiative neutron capture reaction, where much detailed work has been done. A short summary of the theory of the (n,γ) reaction is presented; it is demonstrated that this reaction is a sensitive probe of the wave functions for highly excited nuclear states. Various experimental techniques using reactor and accelerator-based neutron sources are presented. The experiments have shown that both resonant and non-resonant reactions can show single particle effects where the external part of configuration space is dominant. In the non-resonant case, hard sphere capture is important; on resonances, valence particle motion and the contributions of 1 and 3 quasi-particle doorway states make up a significant fraction of the radiative width

  14. 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.

  15. 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.

  16. 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

  17. 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...

  18. 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.)

  19. A compound control strategy combining velocity compensation with ADRC of electro-hydraulic position servo control system.

    Science.gov (United States)

    Gao, Bingwei; Shao, Junpeng; Yang, Xiaodong

    2014-11-01

    In order to enhance the anti-jamming ability of electro-hydraulic position servo control system at the same time improve the control precision of the system, a compound control strategy that combines velocity compensation with Active Disturbance Rejection Controller (ADRC) is proposed, and the working principle of the compound control strategy is given. ADRC controller is designed, and the extended state observer is used for observing internal parameters uncertainties and external disturbances, so that the disturbances of the system are suppressed effectively. Velocity compensation controller is designed and the compensation model is derived to further improve the positioning accuracy of the system and to achieve the velocity compensation without disturbance. The compound control strategy is verified by the simulation and experiment respectively, and the simulation and experimental results show that the electro-hydraulic position servo control system with ADRC controller can effectively inhibit the external disturbances, the precise positioning control is realized after introducing the velocity compensation controller, and verify that the compound control strategy is effective. Copyright © 2014 ISA. Published by Elsevier Ltd. All rights reserved.

  20. 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.