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Sample records for excited nascent h2

  1. Fluorescent excitation of interstellar H2

    NARCIS (Netherlands)

    Black, J.H.; Dishoeck, van E.F.

    1987-01-01

    The infrared emission spectrum of H2 excited by ultraviolet absorption, followed by fluorescence, was investigated using comprehensive models of interstellar clouds for computing the spectrum and to assess the effects on the intensity to various cloud properties, such as density, size, temperature,

  2. Properties of Highly Rotationally Excited H2 in Photodissociation Regions

    Science.gov (United States)

    Cummings, Sally Jane; Wan, Yier; Stancil, Phillip C.; Yang, Benhui H.; Zhang, Ziwei

    2018-06-01

    H2 is the dominant molecular species in the vast majority of interstellar environments and it plays a crucial role as a radiative coolant. In photodissociation regions, it is one of the primary emitters in the near to mid-infrared which are due to lines originating from highly excited rotational levels. However, collisional data for rotational levels j>10 are sparse, particularly for H2-H2 collisions. Utilizing new calculations for para-H2 and ortho-H2 collisional rate coefficients with H2 for j as high as 30, we investigate the effects of the new results in standard PDR models with the spectral simulation package Cloudy. We also perform Cloudy models of the Orion Bar and use Radex to explore rotational line ratio diagnostics. The resulting dataset of H2 collisional data should find wide application to other molecular environments. This work was support by Hubble Space Telescope grant HST-AR-13899.001-A and NASA grants NNX15AI61G and NNX16AF09G.

  3. Resonances in photoionization. Cross section for vibrationally excited H2

    International Nuclear Information System (INIS)

    Mezei, J.Zs.; Jungen, Ch.

    2011-01-01

    Complete text of publication follows. Diatomic molecular Hydrogen is the most abundant molecule in interstellar molecular clouds. The modeling of these environments relies on accurate cross sections for the various relevant processes. Among them, the photoionization plays a major role in the kinetics and in the energy exchanges involving H 2 . The recent discovery of vibrationally excited molecular hydrogen in extragalactic environments revealed the need for accurate evaluation of the corresponding photoionization cross sections. In the present work we report theoretical photoionization cross sections for excitation from excited vibrational levels of the ground state, dealing with the Q(N = 1) (ΔN = 0, where N is the total angular momentum of the molecule) transitions which account for roughly one third of the total photoabsorption cross section. We will focus on the v' = 1 excited level of the ground electronic state. Our calculations are based on Multichannel Quantum Defect Theory (MQDT), which allows us to take into account of the full manifold of Rydberg states and their interactions with the electronic continuum. We have carried out two types of MQDT calculations. First, we omitted all open channels and calculated energy levels, wave functions and spontaneous emission Einstein coefficients, making use of the theoretical method presented in [2]. In a second set of calculations we included the open ionization channels in the computations getting the continuum phase shifts, channel mixing coefficients and channel dipole moments and finally the photoabsorption/ photoionization cross section. The cross section is dominated by the presence of resonance structures corresponding to excitation of various vibrational levels of bound electronic states which lie above the ionization threshold. In order to assess the importance of the resonances we have calculated for each vibrational interval (the energy interval between two consecutive ionization thresholds) the

  4. Reactions of electronically excited molecular nitrogen with H2 and H2O molecules: theoretical study

    Science.gov (United States)

    Pelevkin, Alexey V.; Sharipov, Alexander S.

    2018-05-01

    Comprehensive quantum chemical analysis with the usage of the second-order perturbation multireference XMCQDPT2 approach was carried out to study the processes in the   +  H2 and   +  H2O systems. The energetically favorable reaction pathways have been revealed based on the exploration of potential energy surfaces. It has been shown that the reactions   +  H2 and   +  H2O occur with small activation barriers and, primarily, lead to the formation of N2H  +  H and N2H  +  OH products, respectively. Further, the interaction of these species could give rise to the ground state and H2 (or H2O) products, however, the estimations, based on RRKM theory and dynamic reaction coordinate calculations, exhibited that the   +  H2 and   +  H2O reactions lead to the dissociative quenching predominately. Appropriate rate constants for revealed reaction channels have been estimated by using a canonical variational theory and capture approximation. Corresponding three-parameter Arrhenius expressions for the temperature range T  =  300  ‑  3000 K were reported.

  5. State resolved rotational excitation cross-sections and rates in H2 + H2 collisions

    International Nuclear Information System (INIS)

    Sultanov, Renat A.; Guster, Dennis

    2006-01-01

    Rotational transitions in molecular hydrogen collisions are computed. The two most recently developed potential energy surfaces for the H 2 -H 2 system are used from the following works: [A.I. Boothroyd, P.G. Martin, W.J. Keogh, M.J. Peterson, J. Chem. Phys., 116 (2002) 666; P. Diep, J.K. Johnson, J. Chem. Phys., 113 (2000) 3480; P. Diep, J.K. Johnson, J. Chem. Phys., 112 (2000) 4465]. Cross-sections for rotational transitions 00 → 20, 22, 40, 42, 44 and corresponding rate coefficients are calculated using a quantum-mechanical approach. Results are compared for a wide range of kinetic temperatures 300 K ≤ T≤ 3000 K

  6. Rotational excitation of H2O by para-H2 from an adiabatically reduced dimensional potential.

    Science.gov (United States)

    Scribano, Yohann; Faure, Alexandre; Lauvergnat, David

    2012-03-07

    Cross sections and rate coefficients for low lying rotational transitions in H(2)O colliding with para-hydrogen pH(2) are computed using an adiabatic approximation which reduces the dimensional dynamics from a 5D to a 3D problem. Calculations have been performed at the close-coupling level using the recent potential of Valiron et al. [J. Chem. Phys. 129, 134306 (2008)]. A good agreement is found between the reduced adiabatic calculations and the 5D exact calculations, with an impressive time saving and memory gain. This adiabatic reduction of dimensionality seems very promising for scattering studies involving the excitation of a heavy target molecule by a light molecular projectile. © 2012 American Institute of Physics

  7. UV Raman spectroscopy of H2-air flames excited with a narrowband KrF laser

    Science.gov (United States)

    Shirley, John A.

    1990-01-01

    Raman spectra of H2 and H2O in flames excited by a narrowband KrF excimer laser are reported. Observations are made over a porous-plug, flat-flame burner reacting H2 in air, fuel-rich with nitrogen dilution to control the temperature, and with an H2 diffusion flame. Measurements made from UV Raman spectra show good agreement with measurements made by other means, both for gas temperature and relative major species concentrations. Laser-induced fluorescence interferences arising from OH and O2 are observed in emission near the Raman spectra. These interferences do not preclude Raman measurements, however.

  8. Magnetic excitations in (VO)HPO4· 1/2 H2O

    International Nuclear Information System (INIS)

    Garrett, A.W.; Nagler, S.E.; Tennant, D.A.

    1997-01-01

    The magnetic excitations of an antiferromagnetic spin dimer system, (VO)HPO 4 · 1/2 H 2 O, are examined using inelastic neutron scattering. A dispersionless mode is found, consistent with expectations for a dimer excitation. The intensity variation of the mode reveals a V 4+ - V 4+ dimer separation of 4.43 angstrom, almost 50% larger than the originally expected length

  9. Molecular-alignment dependence in the transfer excitation of H2

    International Nuclear Information System (INIS)

    Wang, Y.D.; McGuire, J.H.; Weaver, O.L.; Corchs, S.E.; Rivarola, R.D.

    1993-01-01

    Molecular-alignment effects in the transfer excitation of H 2 by high-velocity heavy ions are studied using a two-step mechanism with amplitudes evaluated from first-order perturbation theory. Two-electron transfer excitation is treated as a result of two independent collision processes (excitation and electron transfer). Cross sections for each one-electron subprocess as well as the combined two-electron process are calculated as functions of the molecular-alignment angle. Within the independent-electron approximation, the dynamic roles of electron excitation and transfer in conjunction with molecular alignment are explored. While both excitation and transfer cross sections may strongly depend on molecular alignment, it is electron transfer that is largely responsible for the molecular-alignment dependence in the transfer excitation process. Interpretation of some experimental observations based on this model will also be discussed

  10. THE CHEMISTRY OF VIBRATIONALLY EXCITED H2 IN THE INTERSTELLAR MEDIUM

    International Nuclear Information System (INIS)

    Agundez, M.; Roueff, E.; Goicoechea, J. R.; Cernicharo, J.; Faure, A.

    2010-01-01

    The internal energy available in vibrationally excited H 2 molecules can be used to overcome or diminish the activation barrier of various chemical reactions of interest for molecular astrophysics. In this paper, we investigate in detail the impact on the chemical composition of interstellar clouds of the reactions of vibrationally excited H 2 with C + , He + , O, OH, and CN, based on the available chemical kinetics data. It is found that the reaction of H 2 (v>0) and C + has a profound impact on the abundances of some molecules, especially CH + , which is a direct product and is readily formed in astronomical regions with fractional abundances of vibrationally excited H 2 , relative to the ground state H 2 , in excess of ∼10 -6 , independently of whether the gas is hot or not. The effects of these reactions on the chemical composition of the diffuse clouds ζOph and HD 34078, the dense photon-dominated region (PDR) Orion Bar, the planetary nebula NGC 7027, and the circumstellar disk around the B9 star HD 176386 are investigated through PDR models. We find that formation of CH + is especially favored in dense and highly FUV illuminated regions such as the Orion Bar and the planetary nebula NGC 7027, where column densities in excess of 10 13 cm -2 are predicted. In diffuse clouds, however, this mechanism is found to be not efficient enough to form CH + with a column density close to the values derived from astronomical observations.

  11. The role of the excited electronic states in the C++H2O reaction

    International Nuclear Information System (INIS)

    Flores, Jesus R.; Gonzalez, Adan B.

    2008-01-01

    The electronic excited states of the [COH 2 ] + system have been studied in order to establish their role in the dynamics of the C + +H 2 O→[COH] + +H reaction, which is a prototypical ion-molecule reaction. The most relevant minima and saddle points of the lowest excited state have been determined and energy profiles for the lowest excited doublet and quartet electronic states have been computed along the fragmentation and isomerization coordinates. Also, nonadiabatic coupling strengths between the ground and the first excited state have been computed where they can be large. Our analysis suggests that the first excited state could play an important role in the generation of the formyl isomer, which has been detected in crossed beam experiments [D. M. Sonnenfroh et al., J. Chem. Phys. 83, 3985 (1985)], but could not be explained in quasiclassical trajectory computations [Y. Ishikawa et al., Chem. Phys. Lett. 370, 490 (2003); J. R. Flores, J. Chem. Phys. 125, 164309 (2006)

  12. Realisation and crossed molecular beams study of H2/O chemical reactions at several excited states

    International Nuclear Information System (INIS)

    Marx, Jacqueline

    1986-01-01

    This work is devoted to the study of the reactive collision O + H 2 OH + H in a crossed beam experiment. This process including several channels taken a part in the chemistry of the upper atmosphere as well as in the combustion of hydrogen. According to the electronic or vibrational state of the reactants, the OH radical is produced in its ground electronic state OH (X 2 π) or in its first excited state OH (A 2 Σ + ). When the reactants are in their ground state, the reaction is endothermic in the conditions of the experiment (center of mass kinetic energy ≅ 0.12 eV). The following reactions have been obtained: O( 1 D) +H 2 (v=O) → OH (X 2 π) +H( 2 S) and O( 1 D) +H 2 (v≥5) → OH (A 2 Σ + ) +H( 2 S). The atomic oxygen is produced in its excited state O( 1 D) in a radio-frequency discharge which dissociates the molecular oxygen seeded in a carrier gas (He or Ar) and the hydrogen molecules are excited vibrationally by electron bombardment. The first reaction is studied by time-of-flight measurements. In this way, it has been possible to observe the different vibrational levels on which the OH radical is produced. The analysis of this vibrational distribution shows the competition between the abstraction and insertion-dissociation mechanisms. In the second reaction, the analysis of the spontaneous fluorescence of OH (A 2 Σ + ) reveals a very hot and non-Boltzmann rotational excitation. (author) [fr

  13. Abundances and Excitation of H2, H3+ & CO in Star-Forming Regions

    Science.gov (United States)

    Kulesa, Craig A.

    Although most of the 123 reported interstellar molecules to date have been detected through millimeter-wave emission-line spectroscopy, this technique is inapplicable to non-polar molecules like H2 and H3+, which are central to our understanding of interstellar chemistry. Thus high resolution infrared absorption-line spectroscopy bears an important role in interstellar studies: chemically important non-polar molecules can be observed, and their abundances and excitation conditions can be referred to the same ``pencil beam'' absorbing column. In particular, through a weak quadrupole absorption line spectrum at near-infrared wavelengths, the abundance of cold H2 in dark molecular clouds and star forming regions can now be accurately measured and compared along the same ``pencil beam'' line of sight with the abundance of its most commonly cited surrogate, CO, and its rare isotopomers. Also detected via infrared line absorption is the pivotal molecular ion H3+, whose abundance provides the most direct measurement of the cosmic ray ionization rate in dark molecular clouds, a process that initiates the formation of many other observed molecules there. Our growing sample of H2 and CO detections now includes detailed multi-beam studies of the ρ Ophiuchi molecular cloud and NGC 2024 in Orion. We explore the excitation and degree of ortho- and para-H2 thermalization in dark clouds, variation of the CO abundance over a cloud, and the relation of H2 column density to infrared extinction mapping, far-infrared/submillimeter dust continuum emission, and large scale submillimeter CO, [C I] and HCO+ line emission -- all commonly invoked to indirectly trace H2 during the past 30+ years. For each of the distinct velocity components seen toward some embedded young stellar objects, we are also able to determine the temperature, density, and a CO/H2 abundance ratio, thus unraveling some of the internal structure of a star-forming cloud. H2 and H3+ continue to surprise and delight us

  14. HIGHLY EXCITED H2 IN HERBIG–HARO 7: FORMATION PUMPING IN SHOCKED MOLECULAR GAS?

    International Nuclear Information System (INIS)

    Pike, R. E.; Geballe, T. R.; Burton, M. G.; Chrysostomou, A.

    2016-01-01

    We have obtained K -band spectra at R ∼ 5000 and an angular resolution of 0.″3 of a section of the Herbig–Haro 7 (HH7) bow shock, using the Near-Infrared Integral Field Spectrograph at Gemini North. Present in the portion of the data cube corresponding to the brightest part of the bow shock are emission lines of H 2 with upper state energies ranging from ∼6000 K to the dissociation energy of H 2 , ∼50,000 K. Because of low signal-to-noise ratios, the highest excitation lines cannot be easily seen elsewhere in the observed region. However, excitation temperatures, measured throughout much of the observed region using lines from levels as high as 25,000 K, are a strong function of upper level energy, indicating that the very highest levels are populated throughout. The level populations in the brightest region are well fit by a two-temperature model, with 98.5% of the emitting gas at T = 1800 K and 1.5% at T = 5200 K. The bulk of the H 2 line emission in HH7, from the 1800 K gas, has previously been well-modeled by a continuous shock, but the 5200 K cozmponent is inconsistent with standalone standard continuous shock models. We discuss various possible origins for the hot component and suggest that this component is H 2 newly reformed on dust grains and then ejected from them, presumably following dissociation of some of the H 2 by the shock.

  15. Behavior of ro-vibrationally excited H2 molecules and H atoms in a plasma expansion

    International Nuclear Information System (INIS)

    Vankan, P.; Schram, D.C.; Engeln, R.

    2005-01-01

    The behavior in a supersonic plasma expansion of H atom and H2 molecules, both ground-state and ro-vibrationally excited, is studied using various laser spectroscopic techniques. The ground-state H2 molecules expand like a normal gas. The behavior of H atoms and H 2 rv molecules, on the other hand, is considerably influenced, and to some extend even determined, by their reactivity. The H atoms diffuse out of the expansion due to surface association at the walls of the vacuum vessel. Moreover, by reducing the surface area of the nozzle by a factor of two, the amount of H atoms leaving the source is increased by one order of magnitude, due to a decreased surface association of H atoms in the nozzle. The evolution of the ro-vibrational distributions along the expansion axis shows the relaxation of the molecular hydrogen from the high temperature in the up-stream region to the low ambient temperature in the down-stream region. Whereas the vibrational distribution resembles a Boltzmann distribution, the rotational distribution is a non-equilibrium one, in which the high rotational levels (J > 7) are much more populated than what is expected from the low rotational levels (J <5). We observed overpopulations of up to seven orders of magnitude. The production of the high rotational levels is very probably connected to the surface association in the nozzle

  16. Reaction of H2 with O2 in Excited Electronic States: Reaction Pathways and Rate Constants.

    Science.gov (United States)

    Pelevkin, Alexey V; Loukhovitski, Boris I; Sharipov, Alexander S

    2017-12-21

    Comprehensive quantum chemical analysis with the use of the multireference state-averaged complete active space self-consistent field approach was carried out to study the reactions of H 2 with O 2 in a 1 Δ g , b 1 Σ g + , c 1 Σ u - , and A' 3 Δ u electronically excited states. The energetically favorable reaction pathways and possible intersystem crossings have been revealed. The energy barriers were refined employing the extended multiconfiguration quasi-degenerate second-order perturbation theory. It has been shown that the interaction of O 2 (a 1 Δ g ) and O 2 (A' 3 Δ u ) with H 2 occurs through the H-abstraction process with relatively low activation barriers that resulted in the formation of the HO 2 molecule in A″ and A' electronic states, respectively. Meanwhile, molecular oxygen in singlet sigma states (b 1 Σ g + and c 1 Σ u - ) was proved to be nonreactive with respect to the molecular hydrogen. Appropriate rate constants for revealed reaction and quenching channels have been estimated using variational transition-state theory including corrections for the tunneling effect, possible nonadiabatic transitions, and anharmonicity of vibrations for transition states and reactants. It was demonstrated that the calculated reaction rate constant for the H 2 + O 2 (a 1 Δ g ) process is in reasonable agreement with known experimental data. The Arrhenius approximations for these processes have been proposed for the temperature range T = 300-3000 K.

  17. Atmospheric hydroxyl radical production from electronically excited NO2 and H2O.

    Science.gov (United States)

    Li, Shuping; Matthews, Jamie; Sinha, Amitabha

    2008-03-21

    Hydroxyl radicals are often called the "detergent" of the atmosphere because they control the atmosphere's capacity to cleanse itself of pollutants. Here, we show that the reaction of electronically excited nitrogen dioxide with water can be an important source of tropospheric hydroxyl radicals. Using measured rate data, along with available solar flux and atmospheric mixing ratios, we demonstrate that the tropospheric hydroxyl contribution from this source can be a substantial fraction (50%) of that from the traditional O(1D) + H2O reaction in the boundary-layer region for high solar zenith angles. Inclusion of this chemistry is expected to affect modeling of urban air quality, where the interactions of sunlight with emitted NOx species, volatile organic compounds, and hydroxyl radicals are central in determining the rate of ozone formation.

  18. Near-infrared H2 emission from Herbig-Haro objects. I. A survey of low excitation objects

    International Nuclear Information System (INIS)

    Schwartz, R.D.; Cohen, M.; Williams, P.M.

    1987-01-01

    A survey for H 2 1-0 S(1) emission in 16 Herbig-Haro (HH) objects and three exciting stars for HH objects is reported. Eleven HH objects which show low-excitation optical spectra exhibit H 2 emission. One object (HH 43) is more than twice as bright as any previously reported HH object. In addition, spectra in the range 1.6-2.55 microns are reported for HH 43 and HH 120, and a 2.0-2.55 micron spectrum is presented for HH 26. The spectra yield estimates of the H 2 density and temperature ranges in these objects. The role of ultraviolet H 2 emission-line fluorescence in HH 43 with respect to cascading among excited vibrational states of the ground electronic state is discussed. Models which may account for the combined ultraviolet, optical, and near-IR spectra of HHs are briefly analyzed. 35 references

  19. Cross-section and rate coefficient calculation for electron impact excitation, ionisation and dissociation of H2 and OH molecules

    International Nuclear Information System (INIS)

    Riahi, R.; Ben Lakhdar, Z.; Teulet, Ph.; Gleizes, A.

    2006-01-01

    The weighted total cross-sections (WTCS) theory is used to calculate electron impact excitation, ionization and dissociation cross-sections and rate coefficients of OH, H 2 , OH + , H 2 + , OH - and H 2 - diatomic molecules in the temperature range 1500-15000 K. Calculations are performed for H 2 (X, B, C), OH(X, A, B), H 2 + (X), OH + (X, a, A, b, c), H 2 - (X) and OH - (X) electronic states for which Dunham coefficients are available. Rate coefficients are calculated from WTCS assuming Maxwellian energy distribution functions for electrons and heavy particles. One and 2 temperatures (θ e and θ g respectively for electron and heavy particles kinetic temperatures) results are presented and fitting parameters (a, b and c) are given for each reaction rate coefficient: k(θ) a(θ b )exp(-c/θ). (authors)

  20. Proof of shock-excited H2 in low-ionization structure of PNe

    International Nuclear Information System (INIS)

    Akras, Stavros; Gonçalves, Denise R.; Ramos-Larios, Gerardo

    2016-01-01

    We report the detection of near-IR H 2 line emission from the low-ionization structures (LISs) in planetary nebulae. The deepest, high-angular resolution H 2 1-0 S(1) at 2.122 μm, and H 2 2-1 S(1) at 2.248 μm images of K 4-47 and NGC 7662, obtained using NIRI@Gemini-North, are presented here. K 4-47 reveals a remarkable high-collimated bipolar structure, with the H 2 emission emanating from the walls of the outflows and a pair of knots at the tips of these outflows. The H 2 1-0 S(1)/2-1 S(1) line ratio is ∼⃒7-8 which indicates shock interaction due to both the lateral expansion of the gas and the high-velocity knots. The strongest line, H 2 v=1-0 S(1), is also detected in several LISs located at the periphery of the outer shell of the elliptical PN NGC 7662, whereas only four knots are detected in the H 2 v = 2-1 S(1) line. These knots have H 2 v = 1-0 S(1)/v = 2-1 S(1) values between 3 and 5. These data confirm the presence of molecular gas in both highly (K 4-47) and slowly moving LISs (NGC 7662). The H 2 emission in K 4-47 is powered by shocks, whereas in NGC 7662 is due to photo-ionization by the central star. Moreover, a likely correlation is found between the H 2 v = 1-0 S(1)/H 2 v = 2-1 S(1) and [N II]/Hα line ratios. (paper)

  1. The Orion Fingers: H2 Temperatures and Excitation in an Explosive Outflow

    Science.gov (United States)

    Youngblood, Allison; France, Kevin; Ginsburg, Adam; Hoadley, Keri; Bally, John

    2018-04-01

    We measure H2 temperatures and column densities across the Orion Becklin-Neugebauer/Kleinmann-Low (BN/KL) explosive outflow from a set of 13 near-infrared (IR) H2 rovibrational emission lines observed with the TripleSpec spectrograph on Apache Point Observatory’s 3.5 m telescope. We find that most of the region is well characterized by a single temperature (∼2000–2500 K), which may be influenced by the limited range of upper-energy levels (6000–20,000 K) probed by our data set. The H2 column density maps indicate that warm H2 comprises 10‑5–10‑3 of the total H2 column density near the center of the outflow. Combining column density measurements for co-spatial H2 and CO at T = 2500 K, we measure a CO/H2 fractional abundance of 2 × 10‑3 and discuss possible reasons why this value is in excess of the canonical 10‑4 value, including dust attenuation, incorrect assumptions on co-spatiality of the H2 and CO emission, and chemical processing in an extreme environment. We model the radiative transfer of H2 in this region with ultraviolet (UV) pumping models to look for signatures of H2 fluorescence from H I Lyα pumping. Dissociative (J-type) shocks and nebular emission from the foreground Orion H II region are considered as possible Lyα sources. From our radiative transfer models, we predict that signatures of Lyα pumping should be detectable in near-IR line ratios given a sufficiently strong source, but such a source is not present in the BN/KL outflow. The data are consistent with shocks as the H2 heating source.

  2. Histamine Excites Rat Superior Vestibular Nuclear Neurons via Postsynaptic H1 and H2 Receptors in vitro

    Directory of Open Access Journals (Sweden)

    Qian-Xing Zhuang

    2012-09-01

    Full Text Available The superior vestibular nucleus (SVN, which holds a key position in vestibulo-ocular reflexes and nystagmus, receives direct hypothalamic histaminergic innervations. By using rat brainstem slice preparations and extracellular unitary recordings, we investigated the effect of histamine on SVN neurons and the underlying receptor mechanisms. Bath application of histamine evoked an excitatory response of the SVN neurons, which was not blocked by the low-Ca2+/high-Mg2+ medium, indicating a direct postsynaptic effect of the amine. Selective histamine H1 receptor agonist 2-pyridylethylamine and H2 receptor agonist dimaprit, rather than VUF8430, a selective H4 receptor agonist, mimicked the excitation of histamine on SVN neurons. In addition, selective H1 receptor antagonist mepyramine and H2 receptor antagonist ranitidine, but not JNJ7777120, a selective H4 receptor antagonist, partially blocked the excitatory response of SVN neurons to histamine. Moreover, mepyramine together with ranitidine nearly totally blocked the histamine-induced excitation. Immunostainings further showed that histamine H1 and H2 instead of H4 receptors existed in the SVN. These results demonstrate that histamine excites the SVN neurons via postsynaptic histamine H1 and H2 receptors, and suggest that the central histaminergic innervation from the hypothalamus may actively bias the SVN neuronal activity and subsequently modulate the SVN-mediated vestibular functions and gaze control.

  3. A new ab initio potential energy surface for the collisional excitation of N2H+ by H2

    International Nuclear Information System (INIS)

    Spielfiedel, Annie; Balança, Christian; Feautrier, Nicole; Senent, Maria Luisa; Kalugina, Yulia; Scribano, Yohann; Lique, François

    2015-01-01

    We compute a new potential energy surface (PES) for the study of the inelastic collisions between N 2 H + and H 2 molecules. A preliminary study of the reactivity of N 2 H + with H 2 shows that neglecting reactive channels in collisional excitation studies is certainly valid at low temperatures. The four dimensional (4D) N 2 H + –H 2 PES is obtained from electronic structure calculations using the coupled cluster with single, double, and perturbative triple excitation level of theory. The atoms are described by the augmented correlation consistent triple zeta basis set. Both molecules were treated as rigid rotors. The potential energy surface exhibits a well depth of ≃2530 cm −1 . Considering this very deep well, it appears that converged scattering calculations that take into account the rotational structure of both N 2 H + and H 2 should be very difficult to carry out. To overcome this difficulty, the “adiabatic-hindered-rotor” treatment, which allows para-H 2 (j = 0) to be treated as if it were spherical, was used in order to reduce the scattering calculations to a 2D problem. The validity of this approach is checked and we find that cross sections and rate coefficients computed from the adiabatic reduced surface are in very good agreement with the full 4D calculations

  4. A new ab initio potential energy surface for the collisional excitation of N2H(+) by H2.

    Science.gov (United States)

    Spielfiedel, Annie; Senent, Maria Luisa; Kalugina, Yulia; Scribano, Yohann; Balança, Christian; Lique, François; Feautrier, Nicole

    2015-07-14

    We compute a new potential energy surface (PES) for the study of the inelastic collisions between N2H(+) and H2 molecules. A preliminary study of the reactivity of N2H(+) with H2 shows that neglecting reactive channels in collisional excitation studies is certainly valid at low temperatures. The four dimensional (4D) N2H(+)-H2 PES is obtained from electronic structure calculations using the coupled cluster with single, double, and perturbative triple excitation level of theory. The atoms are described by the augmented correlation consistent triple zeta basis set. Both molecules were treated as rigid rotors. The potential energy surface exhibits a well depth of ≃2530 cm(-1). Considering this very deep well, it appears that converged scattering calculations that take into account the rotational structure of both N2H(+) and H2 should be very difficult to carry out. To overcome this difficulty, the "adiabatic-hindered-rotor" treatment, which allows para-H2(j = 0) to be treated as if it were spherical, was used in order to reduce the scattering calculations to a 2D problem. The validity of this approach is checked and we find that cross sections and rate coefficients computed from the adiabatic reduced surface are in very good agreement with the full 4D calculations.

  5. Cross sections for the vibrational excitation of the H2 X 1Σ+g(v) levels generated by electron collisional excitation of the higher singlet states

    International Nuclear Information System (INIS)

    Hiskes, J.R.

    1991-01-01

    The excitation cross sections, σ(v,v double-prime), for an H 2 molecule initially in any one of the 15 vibrational levels, v belonging to the ground electronic state and excited to a final vibrational level, v double-prime are evaluated for direct excitations via all members of the excited electronic singlet spectrum. Account is taken of predissociation, autoionization, and radiative decay of the excited electronic spectrum that leads to a final population distribution for the ground electronic state, X 1 Σ + g (v double-prime). For v=0, account is taken explicitly of transitions via the B, C, B', and D electronic states in evaluating the cross sections. The additional contribution of excitations via all Rydberg states lying above the D state enhances these cross sections by approximately 10%. For v>0, cross sections are evaluated taking explicit account of transitions through the B and C states; higher singlet excitations enhance these values by 25%. The choice of the reference total cross sections remains a subjective one, causing the values calculated here to have a possible uncertainty of +20% -30% . For excitations occurring within a hydrogen discharge, collisional excitation-ionization events among the intermediate singlet states will effectively quench the v, v double-prime excitation process for discharge densities in excess of the range 10 15 --10 16 electrons/cm -3

  6. Dunham spectroscopic constants for the ground and excited states of H2+

    International Nuclear Information System (INIS)

    Murai, Tomokazu

    1975-01-01

    The Dunham spectroscopic constants for 12 of the electronic states of H 2 + are computed theoretically from the adiabatic potentials, which are calculated by the author based on the method presented by Bates et al. in the Born-Oppenheimer approximation. (author)

  7. Theoretical study of H2/+/ spectroscopic properties. II, III. [2p and 3d excited electronic states

    Science.gov (United States)

    Beckel, C. L.; Shafi, M.; Peek, J. M.

    1973-01-01

    Description of the theoretical spectroscopic properties of the 2p pi/sub u/ and 3d sigma/sub g/ excited states of the H2/+/ hydrogen molecular ion. Numerical integration of the Schrodinger equation is used to determine vibration-rotation eigenvalues. Dunham power series expansions are used to determine the equilibrium separation, potential coefficients, and spectroscopic constants. The eigenvalues are used to determine delta-G, Bv, Dv, and Hv.

  8. Photodissociaton of allyl-d2 iodide excited at 193 nm: Stability of highly rotationally excited H2CDCH2 radicals to C-D fission

    International Nuclear Information System (INIS)

    Szpunar, D.E.; Liu, Y.; McCullagh, M.J.; Butler, L.J.; Shu, J.

    2003-01-01

    The photodissociation of allyl-d2 iodide (H2C=CDCH2I) and the dynamics of the nascent allyl-d2 radical (H2CCDCH2) were studied using photofragment translational spectroscopy. A previous study found the allyl radical stable at internal energies up to 15 kcal/mol higher than the 60 kcal/mol barrier to allene + H formation as the result of a centrifugal barrier. The deuterated allyl radical should then also show a stability to secondary dissociation at internal energies well above the barrier due to centrifugal effects. A comparison in this paper shows the allyl-d2 radical is stable to allene + D formation at energies of 2-3 kcal/mol higher than that of the non-deuterated allyl radical following photolysis of allyl iodide at 193 nm. This is most likely a result of a combination of the slight raising of the barrier from the difference in zero-point levels and a reduction of the impact parameter of the dissociative fragments due to the decrease in frequency of the C-D bending modes, and the refore allene + D product orbital angular momentum. Integrated signal taken at m/e = 40 (allene) and m/e = 41 (allene-d1 and propyne-d3) shows a minor fraction of the allyl-d2 radicals isomerize to the 2-propenyl radical, in qualitative support of earlier conclusions of the domination of direct allene + H formation over isomerization

  9. Excitation processes in slow K+--He, Ne, Ar, H2, N2 and Na+--He collisions

    International Nuclear Information System (INIS)

    Kikiani, B.I.; Gochitashvili, M.R.; Kvizhinadze, R.V.; Ankudinov, V.A.

    1984-01-01

    Quasimolecular features of excitation processes in K + --He, Ne, Ar, H 2 , N 2 and Na + --He collisions were investigated by measuring the cross sections for the emission of the resonance lines of potassium (lambda = 766.5 and 769.9 nm), sodium (lambda = 589 and 589.6 nm), and helium (lambda = 584 nm) atoms at ion energies in the range 0.5--10 keV. In Na + --He collisions, the resonance-line excitation functions obtained for sodium and helium atoms exhibit oscillations that are in antiphase and are due to phase interference between the quasimolecular states of the system of colliding particles. Experimental data on K + --Ar collisions are interpreted in terms of schematic correlation diagrams for molecular orbitals. The excitation mechanisms for K + --N 2 and K + --Ar have beenfound to be similar, and this leads to the conclusion that the quasimolecular model used for the ion-atom case is also valid for the ion-molecule case. It is shown that the excitation of the 4p-state of the potassium atom in the K + --Ar case is due to a Landau-Zener type of interaction in the region of the quasicrossing of (KAr) + terms. Analysis of the excitation of this state in K + --N 2 collisions also shows that the capture of an electron into the excited 4p-state of the potassium atom is due to a nonadiabatic transition in the region of quasicrossing of energy terms of the same symmetry

  10. (e, 2e) ionization-excitation experiment with fixed-in-space H2 molecules

    International Nuclear Information System (INIS)

    Takahashi, M.; Watanabe, N.; Khajuria, Y.; Udagawa, Y.; Eland, J.H.D.

    2005-01-01

    This report will introduce an electron-electron-fragment ion triple coincidence spectrometer to the readers with our recent collision dynamics study on ionization-excitation processes of the hydrogen molecule. Following a description of the working principle of the spectrometer, results of the study will be discussed; this includes molecular frame (e, 2e) cross sections that have been observed for the first time. (author)

  11. G+K 1Σ+/sub g/ double-minimum excited state of H2

    International Nuclear Information System (INIS)

    Glover, R.M.; Weinhold, F.

    1977-01-01

    We have obtained a Born--Oppenheimer potential curve for the previously uncharacterized third 1 Σ + /sub g/ state of H 2 , using a correlated 20-term wavefunction of generalized James--Coolidge type. We find this potential curve to have a double-minimum character, with the inner (Rydberg-like) and outer (''ionic'') wells having minima at about 1.99 and 3.30 bohr, respectively, and an intervening maximum at 2.76 bohr. Unlike the extensively studied E+F double-minimum state, the outer well here appears to be the deeper, by some 450 cm -1 in our calculation. The inner and outer minima can apparently be associated with spectral lines that in experimental tables have previously been attributed to distinct G and K electronic states. The appropriate spectroscopic term symbol of this combined state is accordingly G+K 1 Σ + /sub g/ (1ssigma3dsigma+2pπ 2 )

  12. Particle excitation, airglow and H2 vibrational disequilibrium in the atmosphere of Jupiter

    International Nuclear Information System (INIS)

    Shemansky, D.E.

    1984-09-01

    The extreme ultraviolet EUV emission produced by particle excitation of the hydrogen atmospheres of Jupiter and Saturn is examined using model calculations to determine the nature of the energy deposition process and the effect of such processes on atmospheric structure. Tasks ranging from examination of phenomenologically related processes on Saturn and Titan to analysis of experimental laboratory data required to allow accurate modeling of emissions from hydrogenic atmospheres are investigated. An explanation of the hydrogen H Ly(alpha) bulge in Jupiter's emission from the equatorial region is presented. It is proposed that Saturn, rather than Titan is the major source of the extended hydrogen cloud. The atomic hydrogen detected at the rings of Saturn may originate predominantly from the same source. A cross calibration is obtained between the Pioneer 10 EUV photometer and the Voyager EUV spectrometers, thus providing a direct measure of the temporal morphology of Jupiter between a minimum and a maximum in solar activity. Atomic and molecular data required for the research program are analyzed. An extrapolation of conditions in the upper atmospheres of Jupiter and Saturn produces a predicted condition at Uranus in terms of excitation and hydrogen escape rates that may be observed at Voyager-Uranus encounter

  13. Dissociative electron attachment to vibrationally excited H2 molecules involving the 2Σg+ resonant Rydberg electronic state

    International Nuclear Information System (INIS)

    Celiberto, R.; Janev, R.K.; Wadehra, J.M.; Tennyson, J.

    2012-01-01

    Graphical abstract: Dissociative electron attachment cross sections as a function of the incident electron energy and for the initial vibration levels v i = 0–5, 10 of the H 2 molecule. Highlights: ► We calculated electron–hydrogen dissociative attachment cross sections and rates coefficients. ► Collision processes occurring through a resonant Rydberg state are considered. ► Cross sections and rates were obtained for vibrationally excited hydrogen molecules. ► The cross sections exhibit pronounced oscillatory structures. ► A comparison with the process involving the electron–hydrogen resonant ground state is discussed. - Abstract: Dissociative electron attachment cross sections (DEA) on vibrationally excited H 2 molecule taking place via the 2 Σ g + Rydberg-excited resonant state are studied using the local complex potential (LCP) model for resonant collisions. The cross sections are calculated for all initial vibrational levels (v i = 0–14) of the neutral molecule. In contrast to the previously noted dramatic increase in the DEA cross sections with increasing v i , when the process proceeds via the X 2 Σ u + shape resonance of H 2 , for the 2 Σ g + Rydberg resonance the cross sections increase only gradually up to v i = 3 and then decrease. Moreover, the cross sections for v i ⩾ 6 exhibit pronounced oscillatory structures. A discussion of the origin of the observed behavior of calculated cross sections is given. The DEA rate coefficients for all v i levels are also calculated in the 0.5–1000 eV temperature range.

  14. H(2s) excitation in 10-100 keV H+ - H collisions

    International Nuclear Information System (INIS)

    Higgins, D.P.; Geddes, J.; Gilbody, H.B.

    1996-01-01

    The authors have used a crossed beam technique to determine cross sections for 2s excitation of H atoms in 10-100 keV collisions. The results extend their previous 4-26 keV measurements to intermediate energies where theoretical predictions based on close coupling methods are known to be strongly dependent on the choice of the expansion basis. The 4-100 keV cross sections exhibit an undulatory structure similar to that predicted by some of the many close coupling calculations but good quantitative agreement is shown to be very limited. Close coupling calculations which employ large basis sets at the expense of target states are shown to agree less satisfactorily with experiment than those which include only the dominant 1s capture channel

  15. Electron capture and excitation in collisions of O+(4S,2D,2P) with H2 molecules

    International Nuclear Information System (INIS)

    Pichl, Lukas; Li Yan; Liebermann, Heinz-Peter; Buenker, Robert J.; Kimura, Mineo

    2004-01-01

    Using an electronic-state close-coupling method, we treated the electron capture and excitation processes of O + ions both in ground state O + ( 4 S) and metastable states O +* ( 2 D) and O +* ( 2 P) in collisions with the H 2 molecule. In the ground-state projectile energy region considered (from 50 eV/amu to 10 keV/amu), the experimental data vary by orders of magnitude: our results smoothly connect to the data by Flesch and Ng [J. Chem. Phys. 94, 2372 (1991)] and Xu et al. [J. Phys. B 23, 1235 (1990)] at low energy and agree with Phaneuf et al. [Phys. Rev. A 17, 534 (1978)] in the high-energy region. The present values differ from Sieglaff et al. [Phys. Rev. A 59, 3538 (1999)] and Nutt et al. [J. Phys. B 12, L157 (1979)], especially in the energy region below 1 keV/amu. We provide the first calculated state-resolved cross sections of electron capture and target-projectile electronic excitations for the O + ( 4 S, 2 D, 2 P)-H 2 collision system

  16. A Comparative Study of H2 Excitation and Physical Conditions in Interstellar and Circumstellar Photo-dissociation Regions

    Science.gov (United States)

    Kaplan, Kyle; Dinerstein, Harriet L.; Jaffe, Daniel Thomas

    2017-06-01

    “Photo-dissociation” or “Photon-dominated” Regions (PDRs) exist in the ISM at the interfaces between photo-ionized and molecular gas, where UV radiation sets the ionization state, chemistry, and excitation at the edge of the molecular zone. In these regions, excited rotational-vibrational (“rovibrational”) states of the ground electronic state of H2 are fluorescently populated when the absorption of far-UV photons conveys the molecules into excited electronic states from which they rapidly decay. Downward transitions from the excited rovibrational states produce a rich spectrum of near-infrared emission lines. Since these quadrupole lines are generally optically thin, their fluxes scale with the populations of the upper levels of the respective transitions, providing excellent probes of the excitation and physical conditions in the emitting regions. We present and compare high resolution (R~45,000) near-infrared (1.45-2.45 μm) spectra, obtained on the 2.7 m Harlan J. Smith Telescope at McDonald Observatory with the Immersion Grating INfrared Spectrometer (IGRINS) (Park et al. 2014, SPIE, 9147, 1), for a variety of Galactic PDRs including regions of high mass star formation, reflection nebulae, and planetary nebulae. Typically a large number of transitions, up to about 100 individual lines, are seen in each source. We fit grids of Cloudy models (Ferland et al. 2013, RMxAA, 49, 137) to the observed H2 emission to constrain physical parameters such as the temperature, density, and UV field of each PDR and explore the similarities and differences between the various environments where PDRs arise.This work used the Immersion Grating INfrared Spectrometer (IGRINS), developed under a collaboration between the University of Texas at Austin and the Korea Astronomy and Space Science Institute (KASI) with the financial support of the US National Science Foundation (NSF grant AST-1229522) to the University of Texas at Austin, and the Korean GMT Project of KASI. We

  17. Cross sections for electron-impact excitation of the H2 molecule using the MOB-SCI strategy

    International Nuclear Information System (INIS)

    Costa, Romarly F da; Paixao, Fernando J da; Lima, Marco A P

    2005-01-01

    In this paper, we report integral and differential cross sections for the electronic excitation of H 2 molecules by electron-impact. Our scattering amplitudes were calculated using the Schwinger multichannel method within the minimal orbital basis for single configuration interactions (MOB-SCI) level of approximation. Through the use of the present strategy we have investigated the coupling effects among ground state and first singlet and triplet states of the same spatial symmetry. The five-state (nine for degenerated states) close-coupling calculations joined the advantages of a well-described set of physical states of interest with a minimum associated pseudo-state space. The results obtained by means of the MOB-SCI technique show a significant improvement towards experimental data in comparison with previous two-channel close-coupling calculations

  18. Influence of excited state spatial distributions on plasma diagnostics: Atmospheric pressure laser-induced He-H2 plasma

    Science.gov (United States)

    Monfared, Shabnam K.; Hüwel, Lutz

    2012-10-01

    Atmospheric pressure plasmas in helium-hydrogen mixtures with H2 molar concentrations ranging from 0.13% to 19.7% were investigated at times from 1 to 25 μs after formation by a Q-switched Nd:YAG laser. Spatially integrated electron density values are obtained using time resolved optical emission spectroscopic techniques. Depending on mixture concentration and delay time, electron densities vary from almost 1017 cm-3 to about 1014 cm-3. Helium based results agree reasonably well with each other, as do values extracted from the Hα and Hβ emission lines. However, in particular for delays up to about 7 μs and in mixtures with less than 1% hydrogen, large discrepancies are observed between results obtained from the two species. Differences decrease with increasing hydrogen partial pressure and/or increasing delay time. In mixtures with molecular hydrogen fraction of 7% or more, all methods yield electron densities that are in good agreement. These findings seemingly contradict the well-established idea that addition of small amounts of hydrogen for diagnostic purposes does not perturb the plasma. Using Abel inversion analysis of the experimental data and a semi-empirical numerical model, we demonstrate that the major part of the detected discrepancies can be traced to differences in the spatial distributions of excited helium and hydrogen neutrals. The model yields spatially resolved emission intensities and electron density profiles that are in qualitative agreement with experiment. For the test case of a 1% H2 mixture at 5 μs delay, our model suggests that high electron temperatures cause an elevated degree of ionization and thus a reduction of excited hydrogen concentration relative to that of helium near the plasma center. As a result, spatially integrated analysis of hydrogen emission lines leads to oversampling of the plasma perimeter and thus to lower electron density values compared to those obtained from helium lines.

  19. Inelastic Scattering of Identical Molecules within Framework of the Mixed Quantum/Classical Theory: Application to Rotational Excitations in H2 + H2.

    Science.gov (United States)

    Semenov, Alexander; Babikov, Dmitri

    2016-06-09

    Theoretical foundation is laid out for description of permutation symmetry in the inelastic scattering processes that involve collisions of two identical molecules, within the framework of the mixed quantum/classical theory (MQCT). In this approach, the rotational (and vibrational) states of two molecules are treated quantum-mechanically, whereas their translational motion (responsible for scattering) is treated classically. This theory is applied to H2 + H2 system, and the state-to-state transition cross sections are compared versus those obtained from the full-quantum calculations and experimental results from the literature. Good agreement is found in all cases. It is also found that results of MQCT, where the Coriolis coupling is included classically, are somewhat closer to exact full-quantum results than results of the other approximate quantum methods, where those coupling terms are neglected. These new developments allow applications of MQCT to a broad variety of molecular systems and processes.

  20. [Excitation transfer between high-lying states in K2 in collisions with ground state K and H2 molecules].

    Science.gov (United States)

    Shen, Xiao-Yan; Liu, Jing; Dai, Kang; Shen, Yi-Fan

    2010-02-01

    Pure potassium vapor or K-H2 mixture was irradiated in a glass fluorescence cell with pulses of 710 nm radiation from an OPO laser, populating K2 (1lambda(g)) state by two-photon absorption. Cross sections for 1lambda(g)-3lambda(g) transfer in K2 were determined using methods of molecular fluorescence. During the experiments with pure K vapor, the cell temperature was varied between 553 and 603 K. The K number density was determined spectroscopically by the white-light absorption measurement in the blue wing of the self-broadened resonance D2 line. The resulting fluorescence included a direct component emitted in the decay of the optically excitation and a sensitized component arising from the collisionally populated state. The decay signal of time-resolved fluorescence from1lambda(g) -->1 1sigma(u)+ transition was monitored. It was seen that just after the laser pulse the fluorescence of the photoexcited level decreased exponentially. The effective lifetimes of the 1lambda(g) state can be resolved. The plot of reciprocal of effective lifetimes of the 1lambda(g) state against K densities yielded the slope that indicated the total cross section for deactivation and the intercept that provided the radiative lifetime of the state. The radiative lifetime (20 +/- 2) ns was obtained. The cross section for deactivation of the K2(1lambda(g)) molecules by collisions with K is (2.5 +/- 0.3) x 10(-14) cm2. The time-resolved intensities of the K23lambda(g) --> 1 3sigma(u)+ (484 nm) line were measured. The radiative lifetime (16.0 +/- 3.2) ns and the total cross section (2.5 +/- 0.6) x 10(-14) cm2 for deactivation of the K2 (3lambda(g)) state can also be determined through the analogous procedure. The time-integrated intensities of 1lambda(g) --> 1 1sigma(u)+ and 3lambda(g) --> 1 3sigma(u)+ transitions were measured. The cross section (1.1 +/- 0.3) x10(-14) cm2 was obtained for K2 (1lambda(g))+ K --> K2 (3lambda(g)) + K collisions. During the experiments with K-H2 mixture, the

  1. Coupled cluster calculations of mean excitation energies of the noble gas atoms He, Ne and Ar and of the H2 molecule

    DEFF Research Database (Denmark)

    Sauer, Stephan P. A.; Ul Haq, Inam; Sabin, John R.

    2014-01-01

    by about 1%. For the two-electron systems He and H2, our CCSD results (for a Lanczos chain length equal to the full excitation space), I0 = 42:28 eV (Helium) and I0 = 19:62 eV (H2), correspond to full conguration interaction results and are therefore the exact, non-relativistic theoretical values......Using an asymmetric-Lanczos-chain algorithm for the calculation of the coupled cluster linear response functions at the CCSD and CC2 levels of approximation, we have calculated the mean excitation energies of the noble gases He, Ne and Ar, and of the hydrogen molecule H2. Convergence with respect...... for the mean excitation energy of these two systems within the Bethe theory for the chosen basis set and, in the case of H2, at the experimental equilibrium geometry....

  2. Fast hydrogen elimination from the [Ru(PH3)3(CO)(H)2] and [Ru(PH3)4(H)2] complexes in the first singlet excited states: A diabatic quantum dynamics study

    International Nuclear Information System (INIS)

    Vendrell, Oriol; Moreno, Miquel; Lluch, Jose M.

    2004-01-01

    The photodissociation dynamics of [Ru(PH 3 ) 3 (CO)(H) 2 ] and cis-[Ru(PH 3 ) 4 (H) 2 ] is theoretically analyzed in the lowest two excited singlet states. Energies obtained through electronic density functional theory calculations that use the time-dependent formalism are fitted to analytical reduced two-dimensional potential energy surfaces (2D-PES). The metal-H 2 (R) and H-H (r) distances are the variables of these 2D-PES, the rest of the parameters being kept frozen at the values of the minimum energy structure in the ground electronic state. The time evolution in these 2D-PES is exactly followed by means of a fast Fourier transform algorithm applied to solve the time-dependent Schroedinger equation. A simple diabatization scheme is devised to take into account the probability of transitions between both excited states. The quantum dynamics results point out that photoelimination is almost inexistent if the H 2 fragment is to be expelled without further rearrangement of the rest of the complex. Conversely, when the geometries of the complex are optimized by keeping r and R frozen at the hydrogen elimination barrier coordinates, the new 2D-PES so obtained are highly dissociative, the H 2 fragment being expelled in less than 100 fs. Finally the picture of the whole reaction that emerges from our theoretical results is described and the main differences between both complexes are examined

  3. Ground and excited states of the [Fe(H2O)6]2+ and [Fe(H2O)6]3+ clusters: Insight into the electronic structure of the [Fe(H2O)6]2+ – [Fe(H2O)6]3+ complex

    Energy Technology Data Exchange (ETDEWEB)

    Miliordos, Evangelos; Xantheas, Sotiris S.

    2015-04-14

    We report the ground and low lying electronically excited states of the [Fe(H2O)6]2+ and [Fe(H2O)6]3+ clusters using multi-configuration electronic structure theory. In particular, we have constructed the Potential Energy Curves (PECs) with respect to the iron-oxygen distance when removing all water ligands at the same time from the cluster minima and established their correlation to the long range dissociation channels. Due to the fact that both the second and third ionization potentials of iron are larger than the one for water, the ground state products asymptotically correlate with dissociation channels that are repulsive in nature at large separations as they contain at least one H2O+ fragment and a positive metal center. The most stable equilibrium structures emanate – via intersections and/or avoided crossings – from the channels consisting of the lowest electronic states of Fe2+(5D; 3d6) or Fe3+(6S; 3d5) and six neutral water molecules. Upon hydration, the ground state of Fe2+(H2O)6 is a triply (5Tg) degenerate one with the doubly (5Eg) degenerate state lying slightly higher in energy. Similarly, Fe3+(H2O)6 has a ground state of 6Ag symmetry under Th symmetry. We furthermore examine a multitude of electronically excited states of many possible spin multiplicities, and report the optimized geometries for several selected states. The PECs for those cases are characterized by a high density of states. Focusing on the ground and the first few excited states of the [Fe(H2O)6]2+ and [Fe(H2O)6]3+ clusters, we studied their mutual interaction in the gas phase. We obtained the optimal geometries of the Fe2+(H2O)6 – Fe3+(H2O)6 gas phase complex for different Fe–Fe distances. For distances shorter than 6.0 Å, the water molecules in the respective first solvation shells located between the two metal centers were found to interact via weak hydrogen bonds. We examined a total of ten electronic states for this complex, including those corresponding to the

  4. Formation of H(2s) atoms by excitation in 10-100 keV H+-H collisions

    International Nuclear Information System (INIS)

    Higgins, D.P.; Geddes, J.; Gilbody, H.B.

    1996-01-01

    Cross sections for 2s excitation of H atoms in 10-100 keV H + -H collisions have been determined using a modulated crossed-beam technique. The measurements have been based on observations of the Lyman alpha radiation emitted during electric-field-induced decay of the metastable H(2s) collision products. The results extend the range of the 5-26 keV cross sections measured by Morgan and co-workers to intermediate energies where theoretical predictions based on close-coupling methods are known to be strongly dependent on the choice of the expansion basis. The present cross sections pass through a broad maximum at about 40 keV. Over the range 5-100 keV the available experimental data exhibit an undulatory structure similar to that predicted by some close-coupling calculations but good quantitative agreement is very limited. Close-coupling calculations which employ large basis sets and include a large number of projectile states at the expense of target states are shown to agree less satisfactorily with experiment than those which include only the dominant 1s capture projectile channel. (Author)

  5. Theoretical study of intermolecular energy transfer involving electronically excited molecules: He(1S) + H2(B 1Σ/sub u/+)

    International Nuclear Information System (INIS)

    Grimes, R.M.

    1986-11-01

    To further understanding of gas phase collision dynamics involving electronically-excited molecules, a fully quantum mechanical study of He + H 2 (B 1 Σ/sub u/ + ) was undertaken. Iterative natural orbital configuration interaction (CI) calculations were performed to obtain the interaction potential between He and H 2 (B 1 Σ/sub u/ + ). The potential energy surface (PES) is highly anisotropic and has a van der Waals well of about 0.03 eV for C/sub 2v/ approach. Avoided PES crossings occur with He + H 2 (E,F 1 Σ/sub g/ + ) and with He + H 2 (X 1 Σ/sub g/ + ) and cause a local maximum and a deep minimum in the He + H 2 (B 1 Σ/sub u/ + ) PES, respectively. The crossing with He + H 2 (X 1 Σ/sub g/ + ) provides a mechanism for fluorescence quenching. The computed CI energies were combined with previous multi-reference double excitation CI calculations and fit with analytic functions for convenience in scattering calculations. Accurate dipole polarizabilities and quadrupole moment of H 2 (B 1 Σ/sub u/ + ) were computed for use in the multipole expansion, which is the analytic form of the long-range PES. 129 refs., 28 figs., 35 tabs

  6. Two-dimensional H2O-Cl2 and H2O-Br2 potential surfaces: an ab initio study of ground and valence excited electronic states.

    Science.gov (United States)

    Hernandez-Lamoneda, Ramón; Rosas, Victor Hugo Uc; Uruchurtu, Margarita I Bernal; Halberstadt, Nadine; Janda, Kenneth C

    2008-01-10

    All electron ab initio calculations for the interaction of H2O with Cl2 and Br2 are reported for the ground state and the lowest triplet and singlet Pi excited states as a function of both the X-X and O-X bond lengths (X = Cl or Br). For the ground state and lowest triplet state, the calculations are performed with the coupled cluster singles, doubles, and perturbative triple excitation level of correlation using an augmented triple-zeta basis set. For the 1Pi state the multireference average quadratic coupled cluster technique was employed. For several points on the potential, the calculations were repeated with the augmented quadruple-zeta basis set. The ground-state well depths were found to be 917 and 1,183 cm-1 for Cl2 and Br2, respectively, with the triple-zeta basis set, and they increased to 982 and 1,273 cm-1 for the quadruple-zeta basis set. At the geometry of the ground-state minimum, the lowest energy state corresponding to the unperturbed 1Pi states of the halogens increases in energy by 637 and 733 cm-1, respectively, relative to the ground-state dissociation limit of the H2O-X2 complex. Adding the attractive ground-state interaction energy to that of the repulsive excited state predicts a blue-shift, relative to that of the free halogen molecules, of approximately 1,600 cm-1 for H2O-Cl2 and approximately 2,000 cm-1 for H2O-Br2. These vertical blue-shifts for the dimers are greater than the shift of the band maximum upon solvation of either halogen in liquid water.

  7. Efficient H2 production over Au/graphene/TiO2 induced by surface plasmon resonance of Au and band-gap excitation of TiO2

    International Nuclear Information System (INIS)

    Liu, Yang; Yu, Hongtao; Wang, Hua; Chen, Shuo; Quan, Xie

    2014-01-01

    Highlights: • Both surface plasmon resonance and band-gap excitation were used for H 2 production. • Au/Gr/TiO 2 composite photocatalyst was synthesized. • Au/Gr/TiO 2 exhibited enhancement of light absorption and charge separation. • H 2 production rate of Au/Gr/TiO 2 was about 2 times as high as that of Au/TiO 2 . - Abstract: H 2 production over Au/Gr/TiO 2 composite photocatalyst induced by surface plasmon resonance of Au and band-gap excitation of TiO 2 using graphene (Gr) as an electron acceptor has been investigated. Electron paramagnetic resonance study indicated that, in this composite, Gr collected electrons not only from Au with surface plasmon resonance but also from TiO 2 with band-gap excitation. Surface photovoltage and UV–vis absorption measurements revealed that compared with Au/TiO 2 , Au/Gr/TiO 2 displayed more effective photogenerated charge separation and higher optical absorption. Benefiting from these advantages, the H 2 production rate of Au/Gr/TiO 2 composite with Gr content of 1.0 wt% and Au content of 2.0 wt% was about 2 times as high as that of Au/TiO 2 . This work represents an important step toward the efficient application of both surface plasmon resonance and band-gap excitation on the way to converting solar light into chemical energy

  8. A vacuum-UV laser-induced fluorescence experiment for measurement of rotationally and vibrationally excited H2

    NARCIS (Netherlands)

    Vankan, P.J.W.; Heil, S.B.S.; Mazouffre, S.; Engeln, R.A.H.; Schram, D.C.; Döbele, H.F.

    2004-01-01

    An experimental setup is built to detect spatially resolved rovibrationally excited hydrogen molecules via laser-induced fluorescence. To excite the hydrogen molecules, laser radiation is produced in the vacuum UV part of the spectrum. The laser radiation is tunable between 120 nm and 230 nm and has

  9. Comprehensive cluster-theory analysis of the magnetic structures and excitations in CoCl2·2H2O

    DEFF Research Database (Denmark)

    Jensen, Jens; Larsen, Jacob; Hansen, Ursula B.

    2018-01-01

    The magnetic properties of CoCl2·2H2O are analyzed in the mean-field/random-phase approximation using a basis of clusters with four spins along the c-axis chains of Co ions. The model gives a unifying account of the bulk properties, the spin waves, and the higher-order cluster-spin excitations...... at a transverse field of 160 kOe and is found to agree closely with their observations....

  10. A vacuum-UV laser-induced fluorescence experiment for measurement of rotationally and vibrationally excited H2

    International Nuclear Information System (INIS)

    Vankan, P.; Heil, S.B.S.; Mazouffre, S.; Engeln, R.; Schram, D.C.; Doebele, H.F.

    2004-01-01

    An experimental setup is built to detect spatially resolved rovibrationally excited hydrogen molecules via laser-induced fluorescence. To excite the hydrogen molecules, laser radiation is produced in the vacuum UV part of the spectrum. The laser radiation is tunable between 120 nm and 230 nm and has a bandwith of 0.15 cm -1 . The wavelength of the laser radiation is calibrated by simultaneous recording of the two-photon laser induced fluorescence spectrum of nitric oxide. The excited hydrogen populations are calibrated on the basis of coherent anti-Stokes Raman scattering measurements. A population distribution is measured in the shock region of a pure hydrogen plasma expansion. The higher rotational levels (J>5) show overpopulation compared to a Boltzmann distribution determined from the lower rotational levels (J≤5)

  11. The Cascaded Arc: High Flows of Rovibrationally Excited H2 and its Impact on H- Ion Formation

    International Nuclear Information System (INIS)

    Gabriel, O.; Harskamp, W. E. N. van; Schram, D. C.; Sanden, M. C. M. van de; Engeln, R.

    2009-01-01

    The cascaded arc is a plasma source providing high fluxes of excited and reactive species such as ions, radicals and rovibrationally excited molecules. The plasma is produced under pressures of some kPa in a direct current arc with electrical powers up to 10 kW. The plasma leaves the arc channel through a nozzle and expands with supersonic velocity into a vacuum-chamber kept by pumps at low pressures. We investigated the case of a pure hydrogen plasma jet with and without an applied axial magnetic field that confines ions and electrons in the jet. Highly excited molecules and atoms were detected by means of laser-induced fluorescence and optical emission spectroscopy. In case of an applied magnetic field the atomic state distribution of hydrogen atoms shows an overpopulation between the electronic states p = 5, 4 and 3. The influence of the highly excited hydrogen molecules on H - ion formation and a possible mechanism involving this negative ion and producing atomic hydrogen in state p = 3 will be discussed.

  12. Electron-impact excitation and recombination of molecular cations in edge fusion plasma: application to H2+and BeD+

    Science.gov (United States)

    Pop, Nicolina; Iacob, Felix; Mezei, Zsolt; Motapon, Ousmanou; Niyonzima, Sebastien; Schneider, Ioan

    2017-10-01

    Dissociative recombination, ro-vibrational excitation and dissociative excitation of molecular cations with electrons are major elementary process in the kinetics and in the energy balance of astrophysically-relevant ionized media (supernovae, interstellar molecular clouds, planetary ionospheres, early Universe), in edge fusion and in many other cold media of technological interest. For the fusion plasma edge, extensive cross sections and rate coefficients have been produced for reactions induced on HD+, H2+ and BeD+ using the Multichannel Quantum Defect Theory (MQDT). Our calculations resulted in good agreement with the CRYRING (Stockholm) and TSR (Heidelberg) magnetic storage ring results, and our approach is permanently improved in order to face the new generation of electrostatic storage rings, as CSR (Heidelberg) and DESIREE (Stockholm). Member of APS Reciprocal Society: European Physics Society.

  13. Collisional energy transfer between highly excited vibrational levels of K2 (11Σu+, V=46∼61) and H2

    International Nuclear Information System (INIS)

    Zhang Liping; Cai Qin; Luan Nannan; Dai Kang; Shen Yifan

    2011-01-01

    Using the CARS (Coherent Anti-stokes Raman Spectroscopy) detection technique, the electronic-to-rovibrational levels energy transfer between electronically excited K 2 (which is in the state of 1 1 ∑ u + , V=46∼61) and H 2 has been investigated. The scanned CARS spectra reveals that H 2 molecules are produced only at the V=1, J=2 and V=2, J=0, 1, 2 rovibrational levels during energy transfer processes. From scanned CARS spectral peaks the population ratios are obtained. The n 1 /n 4 9 n 2 /n 4 , and n 3 /n 4 are 3.3±0.5, 2.2±0.3 and 2.0±0.3, respectively, where n 1 , n 2 , n 3 and n 4 represent the number densities of H 2 at rovibrational levels (2, 0), (2, 1), (2, 2) and (1, 2), respectively. The population ratios indicate that the H 2 molecules produced by the energy transfer process are 88% populated at the V=2 level and 12% at V=1. The relative fractions (, , ) of average energy disposal are derived as (0.53, 0.01, 0.46), having major vibrational and translational energy release. Through simple kinetic model at the experimental conditions of T=573 K and P(H 2 ) =5 X 10 3 Pa, collisional transfer rate coefficients k 12 =(3.3±0.7) X 10 -14 and k 2 =(1.4±0.3) X 10 -14 cm 3 s -1 have been obtained. (authors)

  14. Explaining variation in nascent entrepreneurship

    NARCIS (Netherlands)

    A.J. van Stel (André); A.R.M. Wennekers (Sander); P. Reynolds (Paul); A.R. Thurik (Roy)

    2004-01-01

    textabstractThis paper aims at explaining cross-country variation in nascent entrepreneurship. Regression analysis is applied using various explanatory variables derived from three different approaches. We make use of the Global Entrepreneurship Monitor database, including nascent entrepreneurship

  15. Explaining nascent entrepreneurship across countries

    NARCIS (Netherlands)

    A.R. Thurik (Roy); A.J. van Stel (André); A.R.M. Wennekers (Sander); P. Reynolds (Paul)

    2003-01-01

    textabstractThis paper aims at explaining cross-country variation in nascent entrepreneurship. Regression analysis is applied using various explanatory variables derived from three different approaches. We make use of the Global Entrepreneurship Monitor database, including nascent entrepreneurship

  16. + H2

    Indian Academy of Sciences (India)

    (1D. ) + H2 (v = 0, j = 0) →. OH + H is undertaken using the quasiclassical trajectory (QCT) method for the collision energy is in the large length of 1.3 to 43 kcal/mol using Dobbyn and Knowles (DK) surface, and the obtained results are compared with those available from earlier available calculated results on the BR surface ...

  17. H2 blockers

    Science.gov (United States)

    Peptic ulcer disease - H2 blockers; PUD - H2 blockers; Gastroesophageal reflux - H2 blockers; GERD - H2 blockers ... H2 blockers are used to: Relieve symptoms of acid reflux, or gastroesophageal reflux disease (GERD). This is a ...

  18. Single photon simultaneous K-shell ionization and K-shell excitation. I. Theoretical model applied to the interpretation of experimental results on H2O

    International Nuclear Information System (INIS)

    Carniato, S.; Selles, P.; Andric, L.; Palaudoux, J.; Penent, F.; Lablanquie, P.; Žitnik, M.; Bučar, K.; Nakano, M.; Hikosaka, Y.; Ito, K.

    2015-01-01

    We present in detail a theoretical model that provides absolute cross sections for simultaneous core-ionization core-excitation (K −2 V ) and compare its predictions with experimental results obtained on the water molecule after photoionization by synchrotron radiation. Two resonances of different symmetries are assigned in the main K −2 V peak and comparable contributions from monopolar (direct shake-up) and dipolar (conjugate shake-up) core-valence excitations are identified. The main peak is observed with a much greater width than the total experimental resolution. This broadening is the signature of nuclear dynamics

  19. Effects of reagent rotational excitation on the H + CHD3 → H2 + CD3 reaction: A seven dimensional time-dependent wave packet study

    International Nuclear Information System (INIS)

    Zhang, Zhaojun; Zhang, Dong H.

    2014-01-01

    Seven-dimensional time-dependent wave packet calculations have been carried out for the title reaction to obtain reaction probabilities and cross sections for CHD 3 in J 0 = 1, 2 rotationally excited initial states with k 0 = 0 − J 0 (the projection of CHD 3 rotational angular momentum on its C 3 axis). Under the centrifugal sudden (CS) approximation, the initial states with the projection of the total angular momentum on the body fixed axis (K 0 ) equal to k 0 are found to be much more reactive, indicating strong dependence of reactivity on the orientation of the reagent CHD 3 with respect to the relative velocity between the reagents H and CHD 3 . However, at the coupled-channel (CC) level this dependence becomes much weak although in general the K 0 specified cross sections for the K 0 = k 0 initial states remain primary to the overall cross sections, implying the Coriolis coupling is important to the dynamics of the reaction. The calculated CS and CC integral cross sections obtained after K 0 averaging for the J 0 = 1, 2 initial states with all different k 0 are essentially identical to the corresponding CS and CC results for the J 0 = 0 initial state, meaning that the initial rotational excitation of CHD 3 up to J 0 = 2, regardless of its initial k 0 , does not have any effect on the total cross sections for the title reaction, and the errors introduced by the CS approximation on integral cross sections for the rotationally excited J 0 = 1, 2 initial states are the same as those for the J 0 = 0 initial state

  20. Electronic excitation of the b 3Σ+sub(u) state of H2 by electron impact in the linear algebraic approach

    International Nuclear Information System (INIS)

    Schneider, B.I.; Collins, L.A.

    1985-01-01

    Two-state close-coupling calculations have been performed on the X 1 Σsub(g) to b 3 Σsub(u) transition for e-H 2 scattering within the linear algebraic, effective optical potential approach. The strong orthogonality constraint between bound and continuum orbitals is relaxed by including correlation-type configurations. These correlation terms prove to be very important in the 2 Σsub(g) and 2 Σsub(u) symmetries and lead to an increase in the total cross section of a factor of two over earlier approaches, which neglected these terms. Good agreement is obtained with recent R-matrix and Schwinger variational calculations. (author)

  1. NH (X 3 summation -, v=1--3) formation and vibrational relaxation in electron-irradiated Ar/N2/H2 mixtures

    International Nuclear Information System (INIS)

    Dodd, J.A.; Lipson, S.J.; Flanagan, D.J.; Blumberg, W.A.M.; Person, J.C.; Green, B.D.

    1991-01-01

    Measurements of the dynamics of NH(X 3 summation - , v =1--3), created in electron-irradiated N 2 /H 2 and Ar/N 2 /H 2 mixtures, have been performed. Time-resolved Fourier spectroscopy was used to observe NH(v→v--1) vibrational fundamental band emission. Time-dependent populations were then determined by spectral fitting. Subsequent kinetic fitting of these populations using a single-quantum relaxation model and a power-law dependence of k v on v yielded the following NH(v =1--3) relaxation rate constants (units of 10 -14 cm 3 s -1 ): k v=1 (N 2 )=1.2±0.5, k v=2 (N 2 )=3.8±1.5, k v=3 (N 2 )=7.5±2.5; k v=1 (Ar)=0.2±0.1, k v=2 (Ar)=0.5±0.2, k v=3 (Ar)=0.8±0.3; k v=1 (H 2 )≤50, k v=2 (H 2 )≤100, k v=3 (H 2 )≤150. In addition, the N 2 /H 2 data provided a measurement of the nascent excited vibrational state distribution resulting from the reaction N( 2 D)+H 2 →NH(X,v)+H. The ratio NH(1):NH(2):NH(3) was found to be 1.0:0.97:0.81 (±0.28 in each value). Comparison of the observed nascent distribution with that of a statistical model suggests that the ratio NH(0):NH(1)=0.47. Using this derived distribution, we find the average product level left-angle v right-angle =1.6, and the fraction of the available product energy in vibration left-angle f v right-angle =0.44

  2. H2@Scale Analysis

    Energy Technology Data Exchange (ETDEWEB)

    Ruth, Mark

    2017-07-12

    'H2@Scale' is a concept based on the opportunity for hydrogen to act as an intermediate between energy sources and uses. Hydrogen has the potential to be used like the primary intermediate in use today, electricity, because it too is fungible. This presentation summarizes the H2@Scale analysis efforts performed during the first third of 2017. Results of technical potential uses and supply options are summarized and show that the technical potential demand for hydrogen is 60 million metric tons per year and that the U.S. has sufficient domestic resources to meet that demand. A high level infrastructure analysis is also presented that shows an 85% increase in energy on the grid if all hydrogen is produced from grid electricity. However, a preliminary spatial assessment shows that supply is sufficient in most counties across the U.S. The presentation also shows plans for analysis of the economic potential for the H2@Scale concept. Those plans involve developing supply and demand curves for potential hydrogen generation options and as compared to other options for use of that hydrogen.

  3. Autoionizing np Rydberg states of H2

    International Nuclear Information System (INIS)

    Xu, E.Y.; Helm, H.; Kachru, R.

    1989-01-01

    We report a study of the autoionizing np Rydberg states near the lowest ionization threshold of H 2 . Using resonant two-photon excitation, intermediate states in specific rotovibrational levels in the double well, E,F 1 Σ/sub g/ + states are prepared. Then, a second, tunable laser is used to photoionize via excitation of the np Rydberg states. Because of the stepwise laser excitation scheme employed in our experiment the photoionization occurs from states with vibrational wave functions very similar to those of the H 2 + core. As a consequence, the autoionizing states appear as nearly symmetric resonances, rather than the highly asymmetric Beutler-Fano profiles observed from the direct photoexcitation from the ground state of H 2 . Our experiments show that the J = 1 np states are broader than the J = 3 np states converging to the same limit, suggesting that the two states autoionize into the epsilon-cp and epsilon-cf continuum, respectively. We compare our observations with a theoretical analysis using a multichannel quantum defect theory. The J = 1 states reveal the profound effect caused by the perturbation of the autoionizing Rydberg series converging to the lowest vibrational and rotational state of H 2 + by low-n states converging to higher vibrational states of the H 2 -ion core

  4. Dissociative charge exchange of H2+

    International Nuclear Information System (INIS)

    Bruijn, D. de.

    1983-01-01

    This thesis is devoted to molecular dissociation, in particular the dissociation of the hydrogen molecule H 2 arising from electron capture of its ion H 2 + in a collision. Thereby the important practical question how a chemical bond can be broken is implicitly addressed. This thesis opens (chapter I) with an overview of the available experimental approaches in molecular physics. Further the simple Demkov model for NRCE is described. In chapter II a novel experimental technique for measurements on dissociative processes is introduced which combines a high efficiency with a high energy resolution. A detailed description of the techniques applied in the detector, which has a high spatial and timing resolution with 30 μm and 350 psec FWHM respectively for the detection of one particle, is given in chapter III. A semi-classical theory for NRCE in the medium energy range between a diatomic molecular ion and an atom is developed in chapter IV. The experiments on dissociative charge exchange of H 2 + with Ar, Mg, Na and Cs targets at keV energies are described in Chapter V. The predissociation of the c 3 PIsub(u)-state of H 2 populated after charge exchange of H 2 with several targets at keV energies; is the subject of chapter VI. In chapter VII, orientational oscillations in the cross section for charge exchange of H 2 + with alkali targets are discussed. The last chapter deals with predissociation of highly excited states in H 2 . (Auth.)

  5. Laser photoelectron spectroscopy of MnH - 2, FeH - 2, CoH - 2, and NiH - 2: Determination of the electron affinities for the metal dihydrides

    Science.gov (United States)

    Miller, Amy E. S.; Feigerle, C. S.; Lineberger, W. C.

    1986-04-01

    The laser photoelectron spectra of MnH-2, FeH-2, CoH-2, and NiH-2 and the analogous deuterides are reported. Lack of vibrational structure in the spectra suggests that all of the dihydrides and their negative ions have linear geometries, and that the transitions observed in the spectra are due to the loss of nonbonding d electrons. The electron affinities for the metal dihydrides are determined to be 0.444±0.016 eV for MnH2, 1.049±0.014 eV for FeH2, 1.450±0.014 eV for CoH2, and 1.934±0.008 eV for NiH2. Electronic excitation energies are provided for excited states of FeH2, CoH2, and NiH2. Electron affinities and electronic excitation energies for the dideuterides are also reported. A limit on the electron affinity of CrH2 of ≥2.5 eV is determined. The electron affinities of the dihydrides directly correlate with the electron affinities of the high-spin states of the monohydrides, and with the electron affinities of the metal atoms. These results are in agreement with a qualitative model developed for bonding in the monohydrides.

  6. Adipose Tissue Dysfunction in Nascent Metabolic Syndrome

    Directory of Open Access Journals (Sweden)

    Andrew A. Bremer

    2013-01-01

    Full Text Available The metabolic syndrome (MetS confers an increased risk for both type 2 diabetes mellitus (T2DM and cardiovascular disease (CVD. Moreover, studies on adipose tissue biology in nascent MetS uncomplicated by T2DM and/or CVD are scanty. Recently, we demonstrated that adipose tissue dysregulation and aberrant adipokine secretion contribute towards the syndrome’s low-grade chronic proinflammatory state and insulin resistance. Specifically, we have made the novel observation that subcutaneous adipose tissue (SAT in subjects with nascent MetS has increased macrophage recruitment with cardinal crown-like structures. We have also shown that subjects with nascent MetS have increased the levels of SAT-secreted adipokines (IL-1, IL-6, IL-8, leptin, RBP-4, CRP, SAA, PAI-1, MCP-1, and chemerin and plasma adipokines (IL-1, IL-6, leptin, RBP-4, CRP, SAA, and chemerin, as well as decreased levels of plasma adiponectin and both plasma and SAT omentin-1. The majority of these abnormalities persisted following correction for increased adiposity. Our data, as well as data from other investigators, thus, highlight the importance of subcutaneous adipose tissue dysfunction in subjects with MetS and its contribution to the proinflammatory state and insulin resistance. This adipokine profile may contribute to increased insulin resistance and low-grade inflammation, promoting the increased risk of T2DM and CVD.

  7. Overtone vibrational spectroscopy in H2-H2O complexes: a combined high level theoretical ab initio, dynamical and experimental study.

    Science.gov (United States)

    Ziemkiewicz, Michael P; Pluetzer, Christian; Nesbitt, David J; Scribano, Yohann; Faure, Alexandre; van der Avoird, Ad

    2012-08-28

    First results are reported on overtone (v(OH) = 2 ← 0) spectroscopy of weakly bound H(2)-H(2)O complexes in a slit supersonic jet, based on a novel combination of (i) vibrationally mediated predissociation of H(2)-H(2)O, followed by (ii) UV photodissociation of the resulting H(2)O, and (iii) UV laser induced fluorescence on the nascent OH radical. In addition, intermolecular dynamical calculations are performed in full 5D on the recent ab initio intermolecular potential of Valiron et al. [J. Chem. Phys. 129, 134306 (2008)] in order to further elucidate the identity of the infrared transitions detected. Excellent agreement is achieved between experimental and theoretical spectral predictions for the most strongly bound van der Waals complex consisting of ortho (I = 1) H(2) and ortho (I = 1) H(2)O (oH(2)-oH(2)O). Specifically, two distinct bands are seen in the oH(2)-oH(2)O spectrum, corresponding to internal rotor states in the upper vibrational manifold of Σ and Π rotational character. However, none of the three other possible nuclear spin modifications (pH(2)-oH(2)O, pH(2)-pH(2)O, or oH(2)-pH(2)O) are observed above current signal to noise level, which for the pH(2) complexes is argued to arise from displacement by oH(2) in the expansion mixture to preferentially form the more strongly bound species. Direct measurement of oH(2)-oH(2)O vibrational predissociation in the time domain reveals lifetimes of 15(2) ns and <5(2) ns for the Σ and Π states, respectively. Theoretical calculations permit the results to be interpreted in terms of near resonant energy levels and intermolecular alignment of the H(2) and H(2)O wavefunctions, providing insight into predissociation dynamical pathways from these metastable levels.

  8. Stratospheric H2O

    International Nuclear Information System (INIS)

    Ellsaesser, H.W.

    1979-01-01

    Documentation of the extreme aridity (approx. 3% relative humidity) of the lower stratosphere and the rapid decrease of mixing ratio with height just above the polar tropopause (20-fold in the 1st km) was begun by Dobson et al., (1946) in 1943. They recognized that this extreme and persistent aridity must be dynamically maintained else it would have been wiped out by turbulent diffusion. This led Brewer (1949) to hypothesize a stratospheric circulation in which all air enters through the tropical tropopause where it is freeze dried to a mass mixing ratio of 2 to 3 ppM. This dry air then spreads poleward and descends through the polar tropopauses overpowering upward transport of water vapor by diffusion which would otherwise be permitted by the much warmer temperatures of the polar tropopauses. Questions can indeed be raised as to the absolute magnitudes of stratospheric mixing ratios, the effective temperature of the tropical tropopause cold trap, the reality of winter pole freeze-dry sinks and the representativeness of the available observations suggesting an H 2 O mixing ratio maximum just above the tropical tropopause and a constant mixing ratio from the tropopause to 30 to 35 km. However, no model that better fits all of the available data is available, than does the Brewer (1949) hypothesis coupled with a lower stratosphere winter pole, freeze-dry sink, at least over Antarctica

  9. H2 molecules and the intercloud medium

    International Nuclear Information System (INIS)

    Hill, J.K.; Hollenbach, D.J.

    1976-01-01

    We discuss expected column of densities of H 2 in the intercloud medium and the possible use of molecules as indicators of intercloud physical conditions. We treat molecule formation by the H - process and on graphite grains and show that the Barlow-Silk hypothesis of a 1 eV semichemical hydrogen-graphite bond leads to a large enhancement of the intercloud molecule formation rate. Rotational excitation calculations are presented for both cloud and intercloud conditions which show, in agreement with Jura, that the presently observed optically thin H 2 absorption components are more likely to originate in cold clouds than in the intercloud medium

  10. Topographic control on the nascent Mediterranean outflow

    Science.gov (United States)

    Gasser, M.; Pelegrí, J. L.; Nash, J. D.; Peters, H.; García-Lafuente, J.

    2011-12-01

    Data collected during a 12-day cruise in July 2009 served to examine the structure of the nascent Mediterranean Outflow Water (MOW) immediately west of the Espartel Sill, the westernmost sill in the Strait of Gibraltar. The MOW is characterized by high salinities (>37.0 and reaching 38.3) and high velocities (exceeding 1 m s-1 at 100 m above the seafloor), and follows a submerged valley along a 30 km stretch, the natural western extension of the strait. It is approx. 150 m thick and 10 km wide, and experiences a substantial drop from 420 to 530 m over a distance of some 3 km between two relatively flat regions. Measurements indicate that the nascent MOW behaves as a gravity current with nearly maximal traveling speed; if this condition is maintained, then the maximum MOW velocity would decrease slowly with distance from the Espartel Sill, remaining significantly high until the gravity current excess density is only a small fraction of its original value. The sharp pycnocline between the Mediterranean and the overlying North Atlantic Central waters is dynamically unstable, particularly where the flow interacts with the 100 m decrease in bottom depth. Here, subcritical gradient Richardson numbers coincide with the development of large interfacial undulations and billows. The very energetic downslope flow is likely responsible for the development of a narrow V-shaped channel downstream of the seafloor drop along the axis of the submerged valley, this probably being the very first erosional scour produced by the nascent MOW. The coincidence of subcritical gradient Richardson numbers with relatively high turbidity values above the channel flanks suggests it may be undergoing upstream erosion.

  11. Qualitative assessment of ultra-fast non-Grotthuss proton dynamics in S1 excited state of liquid H2O from ab initio time-dependent density functional theory★

    Science.gov (United States)

    Ziaei, Vafa; Bredow, Thomas

    2017-11-01

    We study qualitatively ultra-fast proton transfer (PT) in the first singlet (S1) state of liquid water (absorption onset) through excited-state dynamics by means of time-dependent density functional theory and ab initio Born-Oppenheimer molecular dynamics. We find that after the initial excitation, a PT occurs in S1 in form of a rapid jump to a neighboring water molecule, on which the proton either may rest for a relatively long period of time (as a consequence of possible defect in the hydrogen bond network) followed by back and forth hops to its neighboring water molecule or from which it further moves to the next water molecule accompanied by back and forth movements. In this way, the proton may become delocalized over a long water wire branch, followed again by back and forth jumps or short localization on a water molecule for some femtoseconds. As a result, the mechanism of PT in S1 is in most cases highly non-Grotthuss-like, delayed and discrete. Furthermore, upon PT an excess charge is ejected to the solvent trap, the so-called solvated electron. The spatial extent of the ejected solvated electron is mainly localized within one solvent shell with overlappings on the nearest neighbor water molecules and delocalizing (diffuse) tails extending beyond the first solvent sphere. During the entire ultra-short excited-state dynamics the remaining OH radical from the initially excited water molecule exhibits an extremely low mobility and is non-reactive. Supplementary material in the form of one pdf file available from the Journal web page at http://https://doi.org/10.1140/epjb/e2017-80329-7.

  12. Comparison of experimental and theoretical integral cross sections for D+H2(v=1, j=1)→HD(v'=1, j')+H

    International Nuclear Information System (INIS)

    Kliner, D.A.V.; Adelman, D.E.; Zare, R.N.

    1991-01-01

    We have measured the nascent HD(v'=1, j') product rotational distribution from the reaction D+H 2 (v, j) in which the H 2 reagent was either thermal (v=0, j) or prepared in the level (v=1, j=1) by stimulated Raman pumping. Translationally hot D atoms were obtained by uv laser photolysis of DBr or DI. Photolysis of DBr generated D atoms with center-of-mass collision energies (E rel ) of 1.04 and 0.82 eV, which corresponded to the production of ground state Br and spin--orbit-excited Br*, respectively. The E rel values for DI photolysis were 1.38 and 0.92 eV. Quantum-state-specific detection of HD was accomplished via (2+1) resonance-enhanced multiphoton ionization and time-of-flight mass spectrometry. Vibrational excitation of the H 2 reagent results in substantial rotational excitation of the HD(v'=1) product and increases the reaction rate into v'=1 by about a factor of 4. Although the quantum-mechanical calculation of Blais et al. [Chem. Phys. Lett. 166, 11 (1990)] for the D+H 2 (v=1, j=1)→HD(v'=1, j')+H product rotational distribution at E rel =1.02 eV is in qualitative agreement with experiment, it does not quantitatively agree with the measured distribution. Specifically, the calculated distribution is too hot by 2--3 rotational quanta, and the predicted enhancement in the v'=1 rate with reagent vibrational excitation is too large by 67%±9

  13. Epitaxial growth of GaN by radical-enhanced metalorganic chemical vapor deposition (REMOCVD) in the downflow of a very high frequency (VHF) N2/H2 excited plasma - effect of TMG flow rate and VHF power

    Science.gov (United States)

    Lu, Yi; Kondo, Hiroki; Ishikawa, Kenji; Oda, Osamu; Takeda, Keigo; Sekine, Makoto; Amano, Hiroshi; Hori, Masaru

    2014-04-01

    Gallium nitride (GaN) films have been grown by using our newly developed Radical-Enhanced Metalorganic Chemical Vapor Deposition (REMOCVD) system. This system has three features: (1) application of very high frequency (60 MHz) power in order to increase the plasma density, (2) introduction of H2 gas together with N2 gas in the plasma discharge region to generate not only nitrogen radicals but also active NHx molecules, and (3) radical supply under remote plasma arrangement with suppression of charged ions and photons by employing a Faraday cage. Using this new system, we have studied the effect of the trimethylgallium (TMG) source flow rate and of the plasma generation power on the GaN crystal quality by using scanning electron microscopy (SEM) and double crystal X-ray diffraction (XRD). We found that this REMOCVD allowed the growth of epitaxial GaN films of the wurtzite structure of (0001) orientation on sapphire substrates with a high growth rate of 0.42 μm/h at a low temperature of 800 °C. The present REMOCVD is a promising method for GaN growth at relatively low temperature and without using costly ammonia gas.

  14. Substantial Goodness and Nascent Human Life.

    Science.gov (United States)

    Floyd, Shawn

    2015-09-01

    Many believe that moral value is--at least to some extent--dependent on the developmental states necessary for supporting rational activity. My paper rejects this view, but does not aim simply to register objections to it. Rather, my essay aims to answer the following question: if a human being's developmental state and occurrent capacities do not bequeath moral standing, what does? The question is intended to prompt careful consideration of what makes human beings objects of moral value, dignity, or (to employ my preferred term) goodness. Not only do I think we can answer this question, I think we can show that nascent human life possesses goodness of precisely this sort. I appeal to Aquinas's metaethics to establish the conclusion that the goodness of a human being--even if that being is an embryo or fetus--resides at the substratum of her existence. If she possesses goodness, it is because human existence is good.

  15. Van der Waals bond in dimers: H2Ne, H2Ar, H2Kr

    International Nuclear Information System (INIS)

    Waaijer, M.

    1981-01-01

    The H 2 -inert gas dimers H 2 X, and particularly H 2 Ne, H 2 Ar and H 2 Kr, form the subject of this thesis and are loosely bound van der Waals complexes, which is reflected in the low number of bound states and the small anisotropic interaction. The H 2 X dimers studied are formed in a supersonic nozzle expansion, in which the internal energy is converted into the macroscopic flow energy, establishing an internal temperature drop to 3 K, which favours dimer formation. Because of this cooling the H 2 X dimers relax to the lowest rotational states. The hyperfine transitions have been measured using magnetic beam resonance and yield information about the isotropic as well as the anisotropic intermolecular potential in the range between the classical turning points and in the adjacent part of the repulsive branch. The sensitivity of the method is very high and slight changes in the intermolecular potential cause significant effects. The analysis of the measured hyperfine transitions incorporates all interacting states of the molecule, bound as well as unbound (continuum) states. For H 2 Ne, which is the best studied H 2 -inert gas system from the experimental point of view, the author succeeded in establishing an intermolecular potential, that provides a solid ground for comparison with future ab initio calculations. (Auth.)

  16. Raman overtone intensities measured for H2

    International Nuclear Information System (INIS)

    Shelton, D.P.

    1990-01-01

    The Raman spectra of the vibrational fundamental, first overtone and second overtone transitions of the H 2 molecule were recorded using visible and ultraviolet argon--ion laser excitation. The ratios of transition polarizability matrix elements, α 01,21 /α 01,11 and α 01,31 /α 01,11 , were determined from the measured intensities of the Q(1) Raman lines v,J=0,1→v',1 for v'=1,2,3. The experimentally determined value of the Raman first overtone matrix element is in good agreement with the value from the best ab initio calculation

  17. H2@Scale Workshop Report

    Energy Technology Data Exchange (ETDEWEB)

    Pivovar, Bryan

    2017-03-31

    Final report from the H2@Scale Workshop held November 16-17, 2016, at the National Renewable Energy Laboratory in Golden, Colorado. The U.S. Department of Energy's National Renewable Energy Laboratory hosted a technology workshop to identify the current barriers and research needs of the H2@Scale concept. H2@Scale is a concept regarding the potential for wide-scale impact of hydrogen produced from diverse domestic resources to enhance U.S. energy security and enable growth of innovative technologies and domestic industries. Feedback received from a diverse set of stakeholders at the workshop will guide the development of an H2@Scale roadmap for research, development, and early stage demonstration activities that can enable hydrogen as an energy carrier at a national scale.

  18. The Fluid Dynamics of Nascent Biofilms

    Science.gov (United States)

    Farthing, Nicola; Snow, Ben; Wilson, Laurence; Bees, Martin

    2017-11-01

    Many anti-biofilm approaches target mature biofilms with biochemical or physio-chemical interventions. We investigate the mechanics of interventions at an early stage that aim to inhibit biofilm maturation, focusing on hydrodynamics as cells transition from planktonic to surface-attached. Surface-attached cells generate flow fields that are relatively long-range compared with cells that are freely-swimming. We look at the effect of these flows on the biofilm formation. In particular, we use digital inline holographic microscopy to determine the three-dimensional flow due to a surface-attached cell and the effect this flow has on both tracers and other cells in the fluid. We compare experimental data with two models of cells on boundaries. The first approach utilizes slender body theory and captures many of the features of the experimental field. The second model develops a simple description in terms of singularity solutions of Stokes' flow, which produces qualitatively similar dynamics to both the experiments and more complex model but with significant computational savings. The range of validity of multiple cell arrangements is investigated. These two descriptions can be used to investigate the efficacy of actives developed by Unilever on nascent biofilms.

  19. Zeolite encapsulation of H2

    International Nuclear Information System (INIS)

    Cooper, S.; Lakner, J.F.

    1982-08-01

    Experiments with H 2 have shown that it is possible to encapsulate gases in the structure of certain molecular sieves. This method may offer a better means of temporarily storing and disposing of tritium over some others presently in use. The method may also prove safer, and may enable isotope separation, and removal of 3 He. Initial experiments were performed with H 2 to screen potential candidates for use with tritium

  20. Biogeochemistry of dihydrogen (H2).

    Science.gov (United States)

    Hoehler, Tori M

    2005-01-01

    Hydrogen has had an important and evolving role in Earth's geo- and biogeochemistry, from prebiotic to modern times. On the earliest Earth, abiotic sources of H2 were likely stronger than in the present. Volcanic out-gassing and hydrothermal circulation probably occurred at several times the modern rate, due to presumably higher heat flux. The H2 component of volcanic emissions was likely buffered close to the modern value by an approximately constant mantle oxidation state since 3.9 billion years ago, and may have been higher before that, if the early mantle was more reducing. The predominantly ultramafic character of the early, undifferentiated crust could have led to increased serpentinization and release of H2 by hydrothermal circulation, as in modern ultramafic-hosted vents. At the same time, the reactive atmospheric sink for H2 was likely weaker. Collectively, these factors suggest that steady state levels of H2 in the prebiotic atmosphere were 3-4 orders of magnitude higher than at present, and possibly higher still during transient periods following the delivery of Fe and Ni by large impact events. These elevated levels had direct or indirect impacts on the redox state of the atmosphere, the radiation budget, the production of aerosol hazes, and the genesis of biochemical precursor compounds. The early abiotic cycling of H2 helped to establish the environmental and chemical context for the origins of life on Earth. The potential for H2 to serve as a source of energy and reducing power, and to afford a means of energy storage by the establishment of proton gradients, could have afforded it a highly utilitarian role in the earliest metabolic chemistry. Some origin of life theories suggest the involvement of H2 in the first energy-generating metabolism, and the widespread and deeply-branching nature of H2-utilization in the modern tree of life suggests that it was at least a very early biochemical innovation. The abiotic production of H2 via several mechanisms

  1. Seipin is required for converting nascent to mature lipid droplets

    DEFF Research Database (Denmark)

    Wang, Huajin; Becuwe, Michel; Housden, Benjamin E

    2016-01-01

    How proteins control the biogenesis of cellular lipid droplets (LDs) is poorly understood. Using Drosophila and human cells, we show here that seipin, an ER protein implicated in LD biology, mediates a discrete step in LD formation-the conversion of small, nascent LDs to larger, mature LDs. Seipin...... leading to the giant LDs characteristic of seipin deficiency. Our studies identify a discrete step of LD formation, namely the conversion of nascent LDs to mature LDs, and define a molecular role for seipin in this process, most likely by acting at ER-LD contact sites to enable lipid transfer to nascent...

  2. Internal defect propagation studies in carbon steel in H2S-H2O system (Pre print No. MI-1C)

    International Nuclear Information System (INIS)

    Dalvi, M.S.; Kini, R.A.; Tangri, V.K.; Sadhukhan, H.K.

    1989-04-01

    Carbon steel is the material of construction for major equipment of heavy water plant using H 2 S-H 2 O exchange process for production of heavy water. The main corrosion product in this system is iron sulphide and hydrogen which is liberated in nascent form. It is known that such hydrogen liberated in-situ in the equipment has tendency to penetrate in the metal, giving rise to phenomena of embrittlement. Similarly, if parent metal has internal defect then this nascent hydrogen gets trapped in them and gets converted to diatomic form and consequent rise in pressure. This leads to the spread of the defect and can lead to severe loss in the strength of metal. This phenomena was studied on the walls of an autoclave used in a corrosion test assembly for simulated investigation of material of construction for H 2 S-H O exchange process. These studies indicate that internal defect propagation and generation definitely takes place in the system. However, no failures were encountered. These studies have been very qualitative in nature but showed the importance of this aspect of corrosion in H 2 S-H 2 O system and is a subject matter for further studies. It also implies that intial testing of plates for internal defects is very important. (author). 3 figs

  3. Ebrotidina: nuevo antagonista H2

    Directory of Open Access Journals (Sweden)

    Noel Padrón Pérez

    1999-01-01

    Full Text Available Se realizó una revisión bibliográfica sobre un nuevo antagonista H2, la ebrotidina, que exhibe ventajas con respecto a otros medicamentos antisecretores. Las propiedades gastroprotectoras y la actividad anti H. pylori del fármaco, en el tratamiento de la enfermedad péptica ulcerosa, se mencionan en el presente trabajo.A bibliographic review on the new H2 antagonist, ebrotidine, that presents advantages in comparison with other antisecretory drugs, is made. The gastroprotective properties and the anti H. pylori activity of the drug in the treatment of peptic ulcer are mentioned in this paper.

  4. Ultrafast Librational Relaxation of H2O in Liquid Water

    DEFF Research Database (Denmark)

    Petersen, Jakob; Møller, Klaus Braagaard; Rey, Rossend

    2013-01-01

    The ultrafast librational (hindered rotational) relaxation of a rotationally excited H2O molecule in pure liquid water is investigated by means of classical nonequilibrium molecular dynamics simulations and a power and work analysis. This analysis allows the mechanism of the energy transfer from...... the excited H2O to its water neighbors, which occurs on a sub-100 fs time scale, to be followed in molecular detail, i.e., to determine which water molecules receive the energy and in which degrees of freedom. It is found that the dominant energy flow is to the four hydrogen-bonded water partners in the first...

  5. Photoionization of H2O at high resolution

    International Nuclear Information System (INIS)

    Dehmer, P.M.; Chupka, W.A.

    1978-01-01

    The relative photoionization cross sections for the formation of H 2 O + , OH + , and H + from H 2 O were measured at high wavelength resolution using a 3-meter photoionization mass spectrometer equipped with a quadrupole mass flter and a 1-meter photoionization mass spectrometer equipped with a 12-inch radius, 60 0 sector magnetic mass spectrometer. Discrete structure in the parent ion photoionization efficiency curve is interpreted in terms of Rydberg series converging to excited states of the H 2 O + ion. 9 references

  6. Vibrational inelasticity in H2 collisions with He and Li+

    International Nuclear Information System (INIS)

    Raczkowski, A.W.

    1975-09-01

    The partially averaged version of classical S-matrix theory was applied to three-dimensional collisions of H 2 with He and Li + . For H 2 -Li + , cross-sections for the de-excitation of H 2 from (n 1 ,j 1 ) = (1,0) to the ground vibrational manifold were computed at a total energy of 1.2 eV and compared to previously done coupled channel calculations of Schaefer and Lester. The agreement is very good. For H 2 -He, the Kutzelnigg-Tsapline interaction potential was extended to small atom-diatom separations, the ab initio points were then fit to an analytic form, and cross sections for the de-excitation of H 2 from the states (n 1 ,j 1 ), n 1 = 1, j 1 = 0,2,4 to the ground vibrational manifold were computed at total energies of .9, 1.1, 1.3 and 1.5 eV. For comparison, coupled channel calculations were also performed on the system at the same energies. The agreement was poorer than in the H 2 -Li + case, for identifiable reasons. The cross sections were used to compute rate constants and relaxation times for the H 2 -He system. Comparison of these results with the results of experiment and of other calculations shows good agreement, certainly within the expected errors. (7 figs., 30 refs., 3 tables)

  7. Methanogenic H2 syntrophy among thermophiles: a model of metabolism, adaptation and survival in the subsurface

    Science.gov (United States)

    Topcuoglu, B. D.; Stewart, L. C.; Butterfield, D. A.; Huber, J. A.; Holden, J. F.

    2016-12-01

    Approximately 1 giga ton (Gt, 1015 g) of CH4 is formed globally per year from H2, CO2 and acetate through methanogenesis, largely by methanogens growing in syntrophic association with anaerobic microbes that hydrolyze and ferment biopolymers. However, our understanding of methanogenesis in hydrothermal regions of the subseafloor and potential syntrophic methanogenesis at thermophilic temperatures (i.e., >50°C) is nascent. In this study, the growth of natural assemblages of thermophilic methanogens from Axial Seamount was primarily limited by H2 availability. Heterotrophs supported thermophilic methanogenesis by H2 syntrophy in microcosm incubations of hydrothermal fluids at 55°C and 80°C supplemented with tryptone only. Based on 16S rRNA gene sequencing, only heterotrophic archaea that produce H2, H2-consuming methanogens, and sulfate reducing archaea were found in 80°C tryptone microcosms from Marker 113 vent. No bacteria were found. In 55°C tryptone microcosms, sequences were found from H2-producing bacteria and H2-consuming methanogens and sulfate-reducing bacteria. In order to model the impact of H2 syntrophy at hyperthemophilic temperatures, a co-culture was established consisting of the H2-producing hyperthermophilic heterotroph Thermococcus paralvinellae and a H2-consuming hyperthermophilic methanogen Methanocaldococcus bathoardescens. When grown alone in a chemostat, the growth rates and steady-state cell concentrations of T. paralvinellae decreased significantly when a high H2 (70 µM) background was present. H2 inhibition was ameliorated by the production of formate, but in silico modeling suggests less energetic yield for the cells. H2 syntrophy relieved H2 inhibition for both the heterotroph and the methanogenic partners. The results demonstrate that thermophilic H2 syntrophy can support methanogenesis within natural microbial assemblages and may be an important alternative energy source for thermophilic autotrophs in marine geothermal environments.

  8. The characterization and metabolism of rat hepatic nascent HLD subfractions

    International Nuclear Information System (INIS)

    Winkler, K.E.

    1988-01-01

    Nascent HDL was isolated from recirculating rat liver perfusates and separated by heparin-sepharose chromatography into a non-retained fraction (A) and a fraction (B) that eluted with 0.5 M NaCl. Fractions A and B contained 70% and 30% of the nascent HDL protein, respectively. Livers perfused by the single-pass technique produced fractions A and B in the same ratio as livers perfused by recirculation. The apolipoprotein compositions were similar to those in the recirculating perfusion; however, both fractions A and B had more triglyceride (greater than 50% of total lipid). In a preliminary study designed to investigate whether nascent HDL-apo E was secreted by Kupffer cells or hepatocytes, label was targeted to Kupffer cells by perfusing rat livers with 3 H-acetylated LDL or 3 H-amino acids incorporated into large multilamellar vesicles. For metabolic studies, nascent HDL and nascent VLDL were isolated from rat livers that had been perfused with 3 H-glycerol to label the triglyceride

  9. Analytical potential energy function for the Br + H2 system

    International Nuclear Information System (INIS)

    Kurosaki, Yuzuru

    2001-01-01

    Analytical functions with a many-body expansion for the ground and first-excited-state potential energy surfaces for the Br+H 2 system are newly presented in this work. These functions describe the abstraction and exchange reactions qualitatively well, although it has been found that the function for the ground-state potential surface is still quantitatively unsatisfactory. (author)

  10. Inelastic scattering in metal-H-2-metal junctions

    DEFF Research Database (Denmark)

    Kristensen, I. S.; Paulsson, Magnus; Thygesen, Kristian Sommer

    2009-01-01

    We present first-principles calculations of the dI/dV characteristics of an H-2 molecule sandwiched between Au and Pt electrodes in the presence of electron-phonon interactions. The conductance is found to decrease by a few percentages at threshold voltages corresponding to the excitation energy ...

  11. Atmospheric photochemical loss of H and H2 from formaldehyde

    DEFF Research Database (Denmark)

    Simonsen, Jens Bæk; Rusteika, Nerijus; Johnson, Matthew Stanley

    2008-01-01

    We have performed ab initio calculations to examine the potential energy along the normal modes of ground-state HCHO and along the reaction coordinates for loss of H2 and atomic hydrogen, respectively. This exploration showed that there are no specific features that will lead to reaction on the e......We have performed ab initio calculations to examine the potential energy along the normal modes of ground-state HCHO and along the reaction coordinates for loss of H2 and atomic hydrogen, respectively. This exploration showed that there are no specific features that will lead to reaction...... on the excited-state surfaces for excitations that are relevant to the troposphere and stratosphere. The calculations did however lead to the localization of a conical intersection point through which a specific loss of H2 could take place. However, the conical intersection lies at 5.4 eV relative to the ground...

  12. Different reaction of the core histones H2A and H2B to red laser irradiation

    Science.gov (United States)

    Brill, G. E.; Egorova, A. V.; Bugaeva, I. O.; Postnov, D. E.; Ushakova, O. V.

    2017-03-01

    Analysis of the influence of red laser irradiation on the processes of self-assembly of the core histones H2A and H2B was performed using a wedge dehydration method. Image-analysis of facies included their qualitative characteristics and calculation of quantitative parameters with subsequent statistical processing. It was established that linearly polarized red laser light (λ - 660 nm, 1 J/cm2) significantly modified the process of self-assembly of core histone H2B, whereas the structure of the facies of H2A histone changed to a lesser extent. Histones were used in the form of aqueous salt solutions. The effect of red light seems to result from the formation of singlet oxygen by direct laser excitation of molecular oxygen.

  13. Entrepreneurial Identity and Role Expectations in Nascent Entrepreneurship

    Science.gov (United States)

    Lundqvist, Mats; Middleton, Karen Williams; Nowell, Pamela

    2015-01-01

    Entrepreneurship has been defined as an individual?new value creation dialogic. To study how entrepreneurial identity evolves, this article, drawing on entrepreneurial learning theory, adds an entrepreneurial role expectations dialogic. Longitudinal evidence from nascent entrepreneurs working in venture teams on invention disclosures offers an…

  14. Accelerators as Authentic Training Experiences for Nascent Entrepreneurs

    Science.gov (United States)

    Miles, Morgan P.; de Vries, Huibert; Harrison, Geoff; Bliemel, Martin; de Klerk, Saskia; Kasouf, Chick J.

    2017-01-01

    Purpose: The purpose of this paper is to address the role of accelerators as authentic learning-based entrepreneurial training programs. Accelerators facilitate the development and assessment of entrepreneurial competencies in nascent entrepreneurs through the process of creating a start-up venture. Design/methodology/approach: Survey data from…

  15. Cotranslational structure acquisition of nascent polypeptides monitored by NMR spectroscopy.

    Science.gov (United States)

    Eichmann, Cédric; Preissler, Steffen; Riek, Roland; Deuerling, Elke

    2010-05-18

    The folding of proteins in living cells may start during their synthesis when the polypeptides emerge gradually at the ribosomal exit tunnel. However, our current understanding of cotranslational folding processes at the atomic level is limited. We employed NMR spectroscopy to monitor the conformation of the SH3 domain from alpha-spectrin at sequential stages of elongation via in vivo ribosome-arrested (15)N,(13)C-labeled nascent polypeptides. These nascent chains exposed either the entire SH3 domain or C-terminally truncated segments thereof, thus providing snapshots of the translation process. We show that nascent SH3 polypeptides remain unstructured during elongation but fold into a compact, native-like beta-sheet assembly when the entire sequence information is available. Moreover, the ribosome neither imposes major conformational constraints nor significantly interacts with exposed unfolded nascent SH3 domain moieties. Our data provide evidence for a domainwise folding of the SH3 domain on ribosomes without significant population of folding intermediates. The domain follows a thermodynamically favorable pathway in which sequential folding units are stabilized, thus avoiding kinetic traps during the process of cotranslational folding.

  16. From nascent to actual entrepreneurship: the effect of entry barriers

    NARCIS (Netherlands)

    A.J. van Stel (André); D. Storey (David); A.R.M. Wennekers (Sander); A.R. Thurik (Roy)

    2005-01-01

    textabstractThis exploratory study focuses on the conversion from nascent to actual entrepreneurship and the role of entry barriers in this process. Using data for a sample of countries participating in the Global Entrepreneurship Monitor between 2002 and 2004, we estimate a twoequation model

  17. Entrepreneurial strategic groups: how clustering helps nascent firms

    NARCIS (Netherlands)

    Amezcua, A.S.; Ratinho, Tiago

    2012-01-01

    Our study examines how strategic groups consisting of nascent ventures outperform other firms. An entrepreneurial strategic group is defined as firms that pursue a similar founding strategy, belong to the same industry, and compete in the same geography. We show that firms belonging to an

  18. H2 emission from non-stationary magnetized bow shocks

    Science.gov (United States)

    Tram, L. N.; Lesaffre, P.; Cabrit, S.; Gusdorf, A.; Nhung, P. T.

    2018-01-01

    When a fast moving star or a protostellar jet hits an interstellar cloud, the surrounding gas gets heated and illuminated: a bow shock is born that delineates the wake of the impact. In such a process, the new molecules that are formed and excited in the gas phase become accessible to observations. In this paper, we revisit models of H2 emission in these bow shocks. We approximate the bow shock by a statistical distribution of planar shocks computed with a magnetized shock model. We improve on previous works by considering arbitrary bow shapes, a finite irradiation field and by including the age effect of non-stationary C-type shocks on the excitation diagram and line profiles of H2. We also examine the dependence of the line profiles on the shock velocity and on the viewing angle: we suggest that spectrally resolved observations may greatly help to probe the dynamics inside the bow shock. For reasonable bow shapes, our analysis shows that low-velocity shocks largely contribute to H2 excitation diagram. This can result in an observational bias towards low velocities when planar shocks are used to interpret H2 emission from an unresolved bow. We also report a large magnetization bias when the velocity of the planar model is set independently. Our 3D models reproduce excitation diagrams in BHR 71 and Orion bow shocks better than previous 1D models. Our 3D model is also able to reproduce the shape and width of the broad H2 1-0S(1) line profile in an Orion bow shock (Brand et al. 1989).

  19. Collisional rate coefficients of C3H2 and the determination of physical conditions in molecular clouds

    Science.gov (United States)

    Avery, L. W.; Green, Sheldon

    1989-01-01

    Collisional excitation rates for C3H2, calculated using the coupled states approximation at temperatures of 10-30 K, are presented. C3H2 produces a number of spectral line pairs whose members are close together in frequency but arise from levels with different excitation energies. The rates are used in statistical equilibrium calculations to illustrate the excitation properties and density-dependent behavior of various C3H2 line ratios.

  20. Observations of interstellar H2O emission at 183 Gigahertz

    International Nuclear Information System (INIS)

    Waters, J.W.; Gustincic, J.J.; Kakar, R.K.; Kuiper, T.B.H.; Roscoe, H.K.; Swanson, P.N.; Rodriguez Kuiper, E.N.; Kerr, A.R.; Thaddeus, P.

    1980-01-01

    Line emission at 183 GHz by the 3 13 --2 20 rotational transition of water vapor has been detected from the Orion Nebula with the NASA Kuiper Airborne Observatory 91 cm telescope. The peak antenna temperature of the line is 15 K, its LSR velocity is 8 km s -1 , and its width is 15 km s -1 . The velocity profile has characteristics similar to those for CO:a narrow (approx.4 km s -1 ) ''spike'' centered at 9.5 km s -1 and a broad ''plateau'' with flaring wings centered at approx.8 km s -1 . Our 7'.5 antenna beam did not resolve the source. The 183 GHz H 2 O plateau emission appears enhanced above that expected for thermal excitation if it originates from the no greater than 1' region characteristic of plateau emission from all other observed molecules. The spike emission is consistent with an optically thick source of the approximated size of the well-known molecular ridge in Orion having the H 2 O in thermal equilibrium at Tapprox. =50 K. If this is the case, then the H 2 O column density giving rise to the spike is N/sub H/2/sub O/> or =3 x 10 17 cm -2 . An excitation calculation implies N/sub H/2/sub O/approx. =10 18 cm -2 for a source the size of the molecular ridge. These results imply that H 2 O is one of the more abundant species in the Orion Molecualr Cloud.H 2 O emission at 183 GHz was not detected in Sgr A, Sgr B2, W3, W43, W49, W51, DR 21, NGC 1333, NGC 7027, GL 2591, or the rho Oph cloud; it may have been detected in M17

  1. H2O sources in regions of star formation

    International Nuclear Information System (INIS)

    Lo, K.Y.; Burke, B.F.; Haschick, A.D.

    1975-01-01

    Regions and objects believed to be in early stages of stellar formation have been searched for H 2 O 22-GHz line emission with the Haystack 120-foot (37 m) telescope. The objects include radio condensations, infrared objects in H ii regions, and Herbig-Haro objects. Nine new H 2 O sources were detected in the vicinity of such objects, including the Sharpless H ii regions S152, S235, S255, S269, G45.1+0.1, G45.5+0.1, AFCRL infrared object No. 809--2992, and Herbig-Haro objects 1 and 9. The new H 2 O sources detected in H ii regions are associated, but not coincident, with the the radio condensations. Water vapor line emission was detected in approx.25 percent of the regions searched. The association of H 2 O sources with regions of star formation is taken to be real. The spatial relationship of H 2 O sources to infrared objects, radio condensations, class I OH sources, and molecular clouds are discussed. The suggestion is made that an H 2 O source may be excited by a highly obscured star of extreme youth

  2. Transcription arrest caused by long nascent RNA chains

    DEFF Research Database (Denmark)

    Bentin, Thomas; Cherny, Dmitry; Larsen, H Jakob

    2004-01-01

    on transcription. Using phage T3 RNA polymerase (T3 RNAP) and covalently closed circular (cccDNA) DNA templates that did not contain any strong termination signal, transcription was severely inhibited after a short period of time. Less than approximately 10% residual transcriptional activity remained after 10 min......The transcription process is highly processive. However, specific sequence elements encoded in the nascent RNA may signal transcription pausing and/or termination. We find that under certain conditions nascent RNA chains can have a strong and apparently sequence-independent inhibitory effect...... of incubation. The addition of RNase A almost fully restored transcription in a dose dependent manner. Throughout RNase A rescue, an elongation rate of approximately 170 nt/s was maintained and this velocity was independent of RNA transcript length, at least up to 6 kb. Instead, RNase A rescue increased...

  3. Different reaction of core histones H2A and H2B to the red laser radiation

    Directory of Open Access Journals (Sweden)

    Brill G.E.

    2017-09-01

    Full Text Available Aim: to investigate the influence of red laser irradiation on the processes of self-assembly of core histones H2A and H2B. Material and Methods. Solutions of human histone proteins were used in the work. Self-assembly was studied by the method of wedge dehydration. Image facies analysis consisted in their qualitative characterization and calculation of quantitative indicators with subsequent statistical processing. Results. It was established that linearly polarized laser light of the red region of the spectrum (A=660 nm, 1 J/cm2 significantly modifies the process of self-assembly of core histone H2B, while the structure of the facies of H2A histone changing to a lesser extent. Conclusion. Red laser radiation influences on the on the processes of self-assembly of core histones H2A and H2B. There is a differential sensitivity of different classes of histones to laser action. Histone proteins used in the experiments are present in the form of aqueous salt solutions. Red light realizes the effect seems to be due to the formation of singlet oxygen by direct laser excitation of molecular oxygen.

  4. On the Electronic Structure of [Cu(H2O)6]2+

    DEFF Research Database (Denmark)

    Tanaka, Kiyoshi; Johansen, Helge

    1997-01-01

    The electronic structure of the ground state and doublet excited states due to d-d transitions and charge transfer transitions from ligand to copper of [Cu(H2O)6]2+ are investigated by ab initio calculations. The excited states corresponding to the the d-d transitions are calculated to be 1.1 - 1...... on the description of these excited states. The chargetransfer excitations are predicted to start around 6.5 eV for [Cu(H2O)6]2+....

  5. Caracterização hidroambiental de nascentes

    Directory of Open Access Journals (Sweden)

    Mariana Santos Leal

    2017-01-01

    Full Text Available As nascentes consistem em um afloramento do lençol freático que dão origem aos fluxos d’água. Essas águas passam a formar a rede de drenagem. Os impactos ambientais negativos, provocados em qualquer porção da bacia podem interferir na quantidade e qualidade da água e, dependendo do impacto, formas ou alternativas diferentes de manejo deverão ser implantadas visando à melhoria do ambiente. Este trabalho teve por objetivo a caracterização das nascentes da bacia do córrego Itanguá, Capão Bonito, SP, Brasil, quanto ao tipo e estado de conservação, assim como a identificação de impactos ambientais negativos presentes. Quanto ao tipo, as nascentes foram classificadas em pontual ou difusa, e o estado de conservação obtido por meio da avaliação macroscópica foi ranqueado em ótimo, bom, razoável, ruim e péssimo. Na bacia foram identificadas 19 nascentes e, das 15 que foram visitadas, nove foram classificadas como pontuais, enquanto que seis foram difusas. Quanto ao estado de conservação, duas foram classificadas como ótimas, 12 como boas e uma como razoável. Também a partir da avaliação macroscópica foi observado que a presença de espécies exóticas, tanto animal (Sus scrofa como vegetal (Pinus spp., e a ausência de vegetação nativa na área de preservação permanente foram os impactos ambientais negativos mais frequentes. A metodologia empregada se mostrou eficiente como análise qualitativa visual da situação das nascentes e como fornecedoras de informação para subsidiar ações para a conservação da água na Floresta Nacional de Capão Bonito, SP, Brasil.

  6. H2-rich fluids from serpentinization: geochemical and biotic implications.

    Science.gov (United States)

    Sleep, N H; Meibom, A; Fridriksson, Th; Coleman, R G; Bird, D K

    2004-08-31

    Metamorphic hydration and oxidation of ultramafic rocks produces serpentinites, composed of serpentine group minerals and varying amounts of brucite, magnetite, and/or FeNi alloys. These minerals buffer metamorphic fluids to extremely reducing conditions that are capable of producing hydrogen gas. Awaruite, FeNi3, forms early in this process when the serpentinite minerals are Fe-rich. Olivine with the current mantle Fe/Mg ratio was oxidized during serpentinization after the Moon-forming impact. This process formed some of the ferric iron in the Earth's mantle. For the rest of Earth's history, serpentinites covered only a small fraction of the Earth's surface but were an important prebiotic and biotic environment. Extant methanogens react H2 with CO2 to form methane. This is a likely habitable environment on large silicate planets. The catalytic properties of FeNi3 allow complex organic compounds to form within serpentinite and, when mixed with atmospherically produced complex organic matter and waters that circulated through basalts, constitutes an attractive prebiotic substrate. Conversely, inorganic catalysis of methane by FeNi3 competes with nascent and extant life. Copyright 2004 The National Academy of Sciencs of the USA

  7. Recombination and dissociative recombination of H2+ and H3+ ions on surfaces with application to hydrogen negative ion sources

    International Nuclear Information System (INIS)

    Hiskes, J.R.; Karo, A.M.

    1988-12-01

    A four-step model for recombination and dissociative recombination of H 2 + and H 3 + ions on metal surfaces is discussed. Vibrationally excited molecules, H 2 (v''), from H 3 + recombination are produced in a broad spectrum that enhances the excited level distribution. The application of this latter process to hydrogen negative ion discharges is discussed. 5 refs., 3 figs., 1 tab

  8. Photolysis of H2O-H2O2 Mixtures: The Destruction of H2O2

    Science.gov (United States)

    Loeffler, M. J.; Fama, M.; Baragiola, R. A.; Carlson, R. W.

    2013-01-01

    We present laboratory results on the loss of H2O2 in solid H2O + H2O2 mixtures at temperatures between 21 and 145 K initiated by UV photolysis (193 nm). Using infrared spectroscopy and microbalance gravimetry, we measured the decrease of the 3.5 micrometer infrared absorption band during UV irradiation and obtained a photodestruction cross section that varies with temperature, being lowest at 70 K. We use our results, along with our previously measured H2O2 production rates via ionizing radiation and ion energy fluxes from the spacecraft to compare H2O2 creation and destruction at icy satellites by ions from their planetary magnetosphere and from solar UV photons. We conclude that, in many cases, H2O2 is not observed on icy satellite surfaces because the H2O2 photodestruction rate is much higher than the production rate via energetic particles, effectively keeping the H2O2 infrared signature at or below the noise level.

  9. H2O2: A Dynamic Neuromodulator

    Science.gov (United States)

    Rice, Margaret E.

    2012-01-01

    Increasing evidence implicates hydrogen peroxide (H2O2) as an intra- and intercellular signaling molecule that can influence processes from embryonic development to cell death. Most research has focused on relatively slow signaling, on the order of minutes to days, via second messenger cascades. However, H2O2 can also mediate subsecond signaling via ion channel activation. This rapid signaling has been examined most thoroughly in the nigrostriatal dopamine (DA) pathway, which plays a key role in facilitating movement mediated by the basal ganglia. In DA neurons of the substantia nigra, endogenously generated H2O2 activates ATP-sensitive K+ (KATP) channels that inhibit DA neuron firing. In the striatum, H2O2 generated downstream from glutamatergic AMPA receptor activation in medium spiny neurons acts as a diffusible messenger that inhibits axonal DA release, also via KATP channels. The source of dynamically generated H2O2 is mitochondrial respiration; thus, H2O2 provides a novel link between activity and metabolism via KATP channels. Additional targets of H2O2 include transient receptor potential (TRP) channels. In contrast to the inhibitory effect of H2O2 acting via KATP channels, TRP channel activation is excitatory. This review describes emerging roles of H2O2 as a signaling agent in the nigrostriatal pathway and other basal ganglia neurons. PMID:21666063

  10. Dissociative recombination of molecular ions H2+

    International Nuclear Information System (INIS)

    Abarenov, A.V.; Marchenko, V.S.

    1989-01-01

    The total cross sections of dissociation and dissociative recombination of slow electrons and molecular ions H 2 + have been calculated in terms of the quasiclassical and dipole approximations. In the calculations allowance was made for the quantum nature of vibrational motion of heavy particles and presence of autoionization of divergence states of the H 2 (Σ u , nl) molecules. It is shown that the H 2 + ion dissociation cross sections are dominant in increase of the electron energy in the ε >or approx. 2-3 eV region for H 2 + (v) ion distribution over the vibrational levels characteristic for the beam experiments. 15 refs.; 5 figs

  11. Absorption spectra of H2-H2 pairs in the fundamental band

    International Nuclear Information System (INIS)

    Meyer, W.; Borysow, A.; Frommhold, L.

    1989-01-01

    For the computation of the induced-dipole moment, the collisional complex consisting of two H 2 molecules is treated like one molecule in the self-consistent-field and size-consistent, coupled electron pair approximations that separates correctly at distant range. The basis set accounts for 95% of the correlation energies. The radial transition matrix elements of the induced-dipole components are obtained for the two cases v 1 =v 2 =0 and v 1 =0,v 2 =1, where the v i are the vibrational quantum numbers of the interacting H 2 molecules (i=1 or 2). The dependence of these elements on the most important rotational states (j 1 , j 1 ',j 2 ,j 2 '=0,...,3) involved is obtained and seen to be significant in the fundamental band. The results are recast in a simple, but accurate analytical form that is used in a quantum formalism for computations of the spectral moments (sum rules) and line shapes of the collision-induced absorption spectra of molecular hydrogen pairs in the infrared 2.4-μm band. The calculations are based on a proven isotropic potential model that we have extended to account for effects of vibrational excitations. Numerical consistency of the line-shape calculations with the sum rules is observed at the 1% level. The comparison of the computational results with the available measurements at temperatures from 20 to 300 K shows agreement within the estimated uncertainties of the best measurements (∼10%). This fact suggests that theory is capable of predicting these spectra reliably at temperatures for which no measurements exist, with an accuracy that compares favorably with that of good laboratory measurements

  12. H2-H2O-HI Hydrogen Separation in H2-H2O-HI Gaseous Mixture Using the Silica Membrane

    International Nuclear Information System (INIS)

    Pandiangan, Tumpal

    2002-01-01

    It was evaluated aiming at the application for hydrogen iodide decomposition in the thermochemical lS process. Porous alumina tube having pore size of 0.1 μm was modified by chemical vapor deposition using tetraethoxysilane. The permeance single gas of He, H 2 , and N 2 was measured at 300-600 o C. Hydrogen permeance of the modified membrane at a permeation temperature of 600 o C was about 5.22 x 10 -08 mol/Pa m 2 s, and 3.2 x 10 -09 of using gas mixture of H 2 -H 2 O-HI, where as HI permeances was below 1 x 10 -10 mol/Pa m 2 s. The Hydrogen permeance relative was not changed after 25 hours exposure in a mixture of H 2 -H 2 O-HI gas at the temperature of 450 o C. (author)

  13. A new vibrational level of the H2+ molecular ion

    International Nuclear Information System (INIS)

    Carbonell, J.; Lazauskas, R.; Delande, D.; Hilico, L.; Kilic, S.; Hilico, L.; Kilic, S.

    2003-01-01

    A new vibrational level of the molecular ion H 2 + with binding energy of 1.09 x 10 -9 a.u. ∼ 30 neV below the first dissociation limit is predicted, using highly accurate numerical non-relativistic quantum calculations, which go beyond the Born-Oppenheimer approximation. It is the first-excited vibrational level v=1 of the 2pσ u electronic state, antisymmetric with respect to the exchange of the two protons, with orbital angular momentum L=0. It manifests itself as a huge p - H scattering length of a = 750 ± 5 Bohr radii. (authors)

  14. Pushing the limits: detecting H2 emission from faint bipolar planetary nebulae in the IPHAS sample

    Science.gov (United States)

    Ramos-Larios, G.; Guerrero, M. A.; Sabin, L.; Santamaría, E.

    2017-09-01

    We have obtained deep narrowband images in the near-infrared H2 λ2.122 μm emission line for a sample of 15 faint Isaac Newton Telescope Photometric H α Survey (IPHAS) bipolar planetary nebulae (PNe) to search for molecular material. H2 emission is found in most of them (14 out of 15), mostly associated with rings at their equatorial regions and with their bipolar lobes. These detections add to the high occurrence of H2 emission among bipolar PNe reported in previous works, resulting from the large reservoir of molecular material in these sources and the suitable excitation conditions for H2 emission. The correlation between detailed bipolar morphology and H2 luminosity is also confirmed: bipolar PNe with broad equatorial rings (R-BPNe) have almost no continuum emission, are H2 brighter and have larger H2/Br γ line ratio than bipolar PNe with pinched equatorial waists (W-BPNe). The origin of this dichotomy is unclear. The larger size and age of R-BPNe are consistent with shock excitation of H2, whereas ultraviolet pumping is most likely the excitation mechanism in the smaller and younger W-BPNe, which would explain their lower H2 luminosity. Although both types of bipolar PNe seem to proceed from the same progenitor population, this does not imply that R-BPNe descend from W-BPNe. Otherwise, we note that some of the H2-weak bipolar PNe harbor post-common envelope binary systems and symbiotic stars. Finally, we suggest that the long-living H2 emission from R-BPNe arises from a discrete distribution of compact knots embedded within the ionized gas at the equatorial region.

  15. Histone H2AX in DNA repair

    International Nuclear Information System (INIS)

    Lewandowska, H.; Szumiel, I.

    2002-01-01

    The paper reviews the recent reports on the role of the phosphorylated histone H2AX (γ-H2AX). The modification of this histone is an important part of the cellular response to the induction of DNA double strand brakes (DSB) by ionising radiation and other DSB-generating factors. In irradiated cells the modification is carried out mainly by ATM (ataxia-telangiectasia mutated) kinase, the enzyme that starts the alarm signalling upon induction of DSB.γ-H2AX molecules are formed within 1-3 min after irradiation and form foci at the sites of DSB. This seems to be necessary for the recruitment of repair factors that are later present in foci of damaged nuclei. Modification of a constant percentage of H2AX molecules per DSB takes place, corresponding to chromatin domains of megabase of DNA. (author)

  16. Entry and Exit Dynamics of Nascent Business Owners

    DEFF Research Database (Denmark)

    Rocha, Vera; Carneiro, Anabela; Varum, Celeste

    2015-01-01

    results suggest that different exit modes can be predicted by business owners’ entry route. Furthermore, different exit modes exhibit different duration dependence patterns according to the entry mode. Additionally, the paper shows that businesses started after a displacement episode are not necessarily......This paper reports a comprehensive study on the dynamics of nascent business owners using a unique longitudinal matched employer–employee dataset. We follow over 157,000 individuals who leave paid employment and become business owners during the period 1992–2007. The contributions of this paper...... are twofold. First, we analyze both entry and exit, identifying and characterizing different profiles of individuals leaving paid employment to become business owners, and distinguishing exits by dissolution from exits by ownership transfer. Second, we provide new evidence on how particular experiences...

  17. H2SO4-HNO3-H2O ternary system in the stratosphere

    Science.gov (United States)

    Kiang, C. S.; Hamill, P.

    1974-01-01

    Estimation of the equilibrium vapor pressure over the ternary system H2SO4-HNO3-H2O to study the possibility of stratospheric aerosol formation involving HNO3. It is shown that the vapor pressures for the ternary system H2SO4-HNO3-H2O with weight composition around 70-80% H2SO4, 10-20% HNO3, 10-20% H2O at -50 C are below the order of 10 to the minus 8th mm Hg. It is concluded that there exists more than sufficient nitric acid and water vapor in the stratosphere to participate in ternary system aerosol formation at -50 C. Therefore, HNO3 should be present in stratospheric aerosols, provided that H2SO4 is also present.

  18. You Cannot Live of Love Alone – The Interrelation of Legitimacy and Effectuation in Nascent Markets

    DEFF Research Database (Denmark)

    Günzel-Jensen, Franziska; Rask, Morten

    2015-01-01

    This paper explores how success in legitimacy building can create restrictions and problems for new venture’s development in highly volatile settings. Through a longitudinal single in-depth case study in the nascent e-mobility market, we uncover unwanted effects of this process. In a nascent market...

  19. Fast metastable hydrogen atoms from H2 molecules: twin atoms

    Directory of Open Access Journals (Sweden)

    Trimèche A.

    2015-01-01

    Full Text Available It is a difficult task to obtain “twin atoms”, i.e. pairs of massive particles such that one can perform experiments in the same fashion that is routinely done with “twin photons”. One possible route to obtain such pairs is by dissociating homonuclear diatomic molecules. We address this possibility by investigating the production of metastable H(2s atoms coming from the dissociation of cold H2 molecules produced in a Campargue nozzle beam crossing an electron beam from a high intensity pulsed electron gun. Dissociation by electron impact was chosen to avoid limitations of target molecular excited states due to selection rules. Detectors placed several centimeters away from the collision center, and aligned with respect to possible common molecular dissociation channel, analyze the neutral fragments as a function of their time-of-flight (TOF through Lyman-α detection. Evidence for the first time observed coincidence of pairs of H(2s atoms obtained this way is presented.

  20. Start-Up Funding Intentions Among Nascent Nonprofit Entrepreneurs: An Exploratory Investigation

    Directory of Open Access Journals (Sweden)

    Fredrik O. Andersson

    2018-04-01

    Full Text Available This paper explores the start-up funding intentions of nascent nonprofit entrepreneurs, i.e., individuals in the process of creating a new formal nonprofit organization. The main questions being examined are from which sources nascent nonprofit entrepreneurs anticipate to obtain start-up funding from, how much start-up funding nascent nonprofit entrepreneurs anticipate they will need to formally launch their new nonprofit, and if there are any differences in funding intentions among nascent nonprofit entrepreneurs with and without previous start-up experience. The results from a survey of 103 nascent nonprofit entrepreneurs in Kansas City are presented and contrasted with existing research on funding of new nonprofit organizations. The results show an apparent preference for start-up funding from philanthropic grants and private donations, along with personal contributions of the founder(s.

  1. H2@Scale Resource and Market Analysis

    Energy Technology Data Exchange (ETDEWEB)

    Ruth, Mark

    2017-05-04

    The 'H2@Scale' concept is based on the potential for wide-scale utilization of hydrogen as an energy intermediate where the hydrogen is produced from low cost energy resources and it is used in both the transportation and industrial sectors. H2@Scale has the potential to address grid resiliency, energy security, and cross-sectoral emissions reductions. This presentation summarizes the status of an ongoing analysis effort to quantify the benefits of H2@Scale. It includes initial results regarding market potential, resource potential, and impacts of when electrolytic hydrogen is produced with renewable electricity to meet the potential market demands. It also proposes additional analysis efforts to better quantify each of the factors.

  2. H-2 restriction: Independent recognition of H-2 and foreign antigen by a single receptor

    Science.gov (United States)

    Siliciano, Robert F.; Zacharchuk, Charles M.; Shin, Hyun S.

    1980-01-01

    We describe two situations in which the recognition of hapten can compensate for the lack of recognition of appropriate H-2 gene products in hapten-specific, H-2 restricted, T lymphocyte-mediated cytolysis. First, we show that although recognition of appropriate H-2 gene products is essential for the lysis of target cells bearing a low hapten density, significant hapten-specific lysis of H-2 inappropriate target cells is observed at high levels of target cell derivatization. Secondly, we show that hapten-conjugated anti-H-2 antibody inhibits cytolysis poorly even though its binding to target cell H-2 antigens is equivalent to that of underivatized antibody. These results suggest that hapten and H-2 are recognized independently and are therefore inconsistent with the altered-self model. Although our data do not exclude the dual-recognition model, we prefer to interpret them within the framework of a single-receptor model in which hapten and H-2 are recognized independently by receptors of identical idiotype on the T cell. We postulate that the affinity of these receptors for the relevant H-2 gene product is low enough so that the T cell is not activated by encounters with normal-self cells expressing that H-2 gene product. However, when self cells express in addition a foreign antigen that can also be recognized by the same receptor, then the force of T cell-target cell interaction may be increased sufficiently to activate T cell effector function. PMID:6966404

  3. Unimolecular H2 elimination during the liquid phase radiolysis and photolysis of alkane - alkane mixtures

    International Nuclear Information System (INIS)

    Wojnarovits, L.; Foeldiak, G.

    1980-01-01

    Unimolecular H 2 elimination from alkanes was investigated in cyclopentane-cyclohexane, n-hexane-cyclohexane and cyclohexane-cyclooctane mixtures during fluradiolysis and 7.6 eV photolysis. During the radiolysis of all systems, and when the fluorescence shift law allowed it, during the photolysis as well, inhibited H 2 detachment was observed from the first component and sensitized hydrogen molecule elimination from the second. It has been concluded that the same excited state (the lowest singlet, S 1 ) is responsible for the H 2 elimination during radiolysis and photolysis and this is that one that gives rise to fluorescence in the experiments of other authors. The H 2 and H elimination from alkanes generally have different excited precursors. The direct population of S 1 by γ-irradiation is of limited importance and this intermediate is mainly produced in ''charge neutralization'' processes. (author)

  4. The extinction to the H2 line emission in the DR 21 outflow source

    International Nuclear Information System (INIS)

    Nadeau, D.; Riopel, M.; Geballe, T.R.

    1991-01-01

    The v = 1-0 S(1) and Q(3) lines of H2 have been measured in four regions of the DR 21 H2 line-emission source, in order to determine whether the observed morphology of the emission represents the distribution of the excited H2 or is modified by nonuniform extinction across the source. The measured lines originate from the same upper level, and their ratio is a direct measure of the reddening. The line ratios show that the extinction is quite uniform across the source and that there is no correlation between the intensity and the extinction. This result implies that the gap between the two lobes of emission is not due to increased extinction but rather is a region where there is little excited H2 gas. 13 refs

  5. Optical preparation of H2 rovibrational levels with almost complete population transfer

    Science.gov (United States)

    Dong, Wenrui; Mukherjee, Nandini; Zare, Richard N.

    2013-08-01

    Using stimulated Raman adiabatic passage (SARP), it is possible, in principle, to transfer all the population in a rovibrational level of an isolated diatomic molecule to an excited rovibrational level. We use an overlapping sequence of pump (532 nm) and dump (683 nm) single-mode laser pulses of unequal fluence to prepare isolated H2 molecules in a molecular beam. In a first series of experiments we were able to transfer more than half the population to an excited rovibrational level [N. Mukherjee, W. R. Dong, J. A. Harrison, and R. N. Zare, J. Chem. Phys. 138(5), 051101-1051101-4 (2013)], 10.1063/1.4790402. Since then, we have achieved almost complete transfer (97% ± 7%) of population from the H2 (v = 0, J = 0) ground rovibrational level to the H2 (v = 1, J = 0) excited rovibrational level. An explanation is presented of the SARP process and how these results are obtained.

  6. Metabolism of triglyceride-rich nascent rat hepatic high density lipoproteins

    International Nuclear Information System (INIS)

    Winkler, K.E.; Marsh, J.B.

    1989-01-01

    Nascent high density lipoprotein (HDL) and nascent very low density lipoprotein (VLDL) were isolated from rat livers that had been perfused with [3H]glycerol to label the triglyceride. When injected into intact rats, the labeled HDL-triglyceride disappeared as rapidly as the VLDL-triglyceride, with only 10% of the injected label remaining in the plasma after 30 min. The protein moiety of nascent HDL was labeled with [35S]methionine in a similar fashion and the labeled nascent HDL was separated into nonretained (NR) and retained (R) fractions by heparin-Sepharose affinity chromatography. When injected into rats, 55% of the injected label in nascent fraction NR and 72% of that in nascent fraction R was recovered from plasma at 30 min, compared to only 10% of the triglyceride label from unfractionated nascent HDL, indicating dissociation of triglyceride and apolipoprotein clearance. The plasma decay curves for both triglyceride and protein were biexponential. By 5 min, 15% of the 35S label remaining in plasma represented apoE and apoC that had been transferred from nascent HDL fractions NR and R to the d less than 1.063 g/ml fraction of plasma. Plasma HDL was labeled in vivo with [35S]methionine, separated into fractions NR and R, and the clearance of the two plasma HDL fractions was compared with that of the corresponding nascent HDL fractions. Except for a faster rate of removal of the nascent HDL fractions during the first 5 min, the serum decay curves were very similar

  7. Planetary Nebulae with H2 Emission

    OpenAIRE

    Margarita Rosado; Lorena Arias

    2003-01-01

    Hacemos una revisión de la emisión en hidrogeno molecular (H2) de las nebulosas planetarias (NPs). Vemos como esta emisión se encuentra asociada a objetos de forma bipolar. Describimos los niveles de energía de la molécula de hidrogeno, los principales mecanismos para poblarlos (choques y fluorescencia) y las formas en que se puede discriminar que mecanismo opera. Proponemos que la cinemática del H2 también puede ser usada para discriminar el mecanismo de excitación de sus líneas de emisión. ...

  8. VUV photoionization cross sections of HO2, H2O2, and H2CO.

    Science.gov (United States)

    Dodson, Leah G; Shen, Linhan; Savee, John D; Eddingsaas, Nathan C; Welz, Oliver; Taatjes, Craig A; Osborn, David L; Sander, Stanley P; Okumura, Mitchio

    2015-02-26

    The absolute vacuum ultraviolet (VUV) photoionization spectra of the hydroperoxyl radical (HO2), hydrogen peroxide (H2O2), and formaldehyde (H2CO) have been measured from their first ionization thresholds to 12.008 eV. HO2, H2O2, and H2CO were generated from the oxidation of methanol initiated by pulsed-laser-photolysis of Cl2 in a low-pressure slow flow reactor. Reactants, intermediates, and products were detected by time-resolved multiplexed synchrotron photoionization mass spectrometry. Absolute concentrations were obtained from the time-dependent photoion signals by modeling the kinetics of the methanol oxidation chemistry. Photoionization cross sections were determined at several photon energies relative to the cross section of methanol, which was in turn determined relative to that of propene. These measurements were used to place relative photoionization spectra of HO2, H2O2, and H2CO on an absolute scale, resulting in absolute photoionization spectra.

  9. Remote control of the dissociative ionization of H2 based on electron-H2 + entanglement

    Science.gov (United States)

    Wang, Jun-Ping; He, Feng

    2018-04-01

    The single ionization of H2 in strong laser fields creates the correlated electron-H2 + pair. Based on such a correlation, we conceive a strategy to control the energy spectra of the freed electron or dissociative fragments by simulating the time-dependent Schrödinger equation. Two attosecond pulses in a train produce the replica of electron-H2 + pairs, which are to be steered by a time-delayed phase-stabilized (mid)infrared laser pulse. By controlling the behavior of the freed electron, the dissociation of H2 + can be controlled even though there is no direct laser-H2 + coupling. On the other hand, the photoelectron energy spectra can be manipulated via laser-H2 + coupling. This study demonstrates the entanglement of molecular quantum wave packets, and affords a route to remotely control molecular dissociative ionization.

  10. Catalytical conversion from ortho-H2 to para-H2

    International Nuclear Information System (INIS)

    Corat, E.J.

    1984-01-01

    The classical theory of ortho to para-H 2 conversion is discussed, considering the catalytical action of an inhomogeneous magnetic field on a surface with magnetic particles. In particular, the use of charcoal as a catalyst at low temperatures (77 0 K) is considered and some results are presented. The development of a sensor for the determination of para-H 2 concentration in H 2 gas is studied. Experimental results with this sensor are also shown. (Author) [pt

  11. Study of the solubility, viscosity and density in Na+, Zn2+/Cl− − H2O, Na+ − Zn2+ − (H2PO2)− − H2O, Na+, Cl−/(H2PO2)− − H2O, and Zn2+, Cl−/(H2PO2)− − H2O ternary systems, and in Na+, Zn2+/Cl−, (H2PO2)−//H2O reciprocal quaternary system at 273.15 K

    International Nuclear Information System (INIS)

    Adiguzel, Vedat; Erge, Hasan; Alisoglu, Vahit; Necefoglu, Hacali

    2014-01-01

    Highlights: • The physicochemical properties of ternary and one quaternary have been studied. • Reciprocal quaternary systems’ solubility and phase equilibrium have been studied. • In all systems the solid phases have been found. • It was found that Zn(H 2 PO 2 ) 2 salt contains 70% of the general crystallization field. - Abstract: The solubility and the physicochemical properties (density, viscosity) in the Na-Zn- Cl-H 2 O), (Na + Zn + H 2 PO 2 + H 2 O), (Na + Cl + H 2 PO 2 + H 2 O), and (Zn + Cl + H 2 PO 2 + H 2 O) ternaries, and in Na + , Zn 2+ /Cl − , (H 2 PO 2 ) − //H 2 O reciprocal quaternary systems at T = 273.15 K were investigated by using the isothermal method. The diagrams of ternary salts systems, (NaCl + ZnCl 2 + H 2 O), (NaCl + NaH 2 PO 2 + H 2 O), (NaH 2 PO 2 + Zn(H 2 PO 2 ) 2 + H 2 O), (ZnCl 2 + Zn(H 2 PO 2 ) 2 + H 2 O), are plotted in figures 1–4. However, whole ions of reciprocal quaternary salt systems are plotted in figure 5. Additionally, the density and viscosity values of ternary systems vs. their corresponding composition values in weight per cent are plotted in figures 6–10. At the (i) (ZnCl 2 + Zn(H 2 PO 2 ) 2 + H 2 O), (ii) (NaCl + ZnCl 2 + H 2 O), (iii) (NaCl + NaH 2 PO 2 + H 2 O), (iv) (NaH 2 PO 2 + Zn(H 2 PO 2 ) 2 + H 2 O) ternary systems the solid phase compositions have been determined as: (i) Zn(H 2 PO 2 ) 2 ⋅ H 2 O, Zn(H 2 PO 2 ) 2 , ZnCl 2 ⋅ 2H 2 O, (ii) NaCl, 2NaCl ⋅ ZnCl 2 ⋅ 2H 2 O, and ZnCl 2 ⋅ 2H 2 O, (iii) NaCl and NaH 2 PO 2 ⋅ H 2 O, (iv) Zn(H 2 PO 2 ) 2 ⋅ H 2 O and NaH 2 PO 2 ⋅ H 2 O, respectively. On the other hand reciprocal quaternary system was observed as: ZnCl 2 ⋅ 2H 2 O, 2NaCl ⋅ ZnCl 2 ⋅ 2H 2 O, Zn(H 2 PO 2 ) 2 ⋅ H 2 O, NaH 2 PO 2 ⋅ H 2 O, NaCl. According to results, the least soluble salt was Zn(H 2 PO 2 ) 2 . The crystallization field of this salt, being the largest in comparison with those of other salts, occupied 70% of the general crystallization field

  12. EPA H2O Software Tool

    Science.gov (United States)

    EPA H2O allows user to: Understand the significance of EGS in Tampa Bay watershed; visually analyze spatial distribution of the EGS in Tampa Bay watershed; obtain map and summary statistics of EGS values in Tampa Bay watershed; analyze and compare potential impacts of development...

  13. The molecular hydrogen explorer H2EX

    NARCIS (Netherlands)

    Boulanger, F.; Maillard, J. P.; Appleton, P.; Falgarone, E.; Lagache, G.; Schulz, B.; Wakker, B. P.; Bressan, A.; Cernicharo, J.; Charmandaris, V.; Drissen, L.; Helou, G.; Henning, T.; Lim, T. L.; Valentjin, E. A.; Abergel, A.; Bourlot, J. Le; Bouzit, M.; Cabrit, S.; Combes, F.; Deharveng, J. M.; Desmet, P.; Dole, H.; Dumesnil, C.; Dutrey, A.; Fourmond, J. J.; Gavila, E.; Grangé, R.; Gry, C.; Guillard, P.; Guilloteau, S.; Habart, E.; Huet, B.; Joblin, C.; Langer, M.; Longval, Y.; Madden, S. C.; Martin, C.; Miville-Deschênes, M. A.; Pineau Des Forêts, G.; Pointecouteau, E.; Roussel, H.; Tresse, L.; Verstraete, L.; Viallefond, F.; Bertoldi, F.; Jorgensen, J.; Bouwman, J.; Carmona, A.; Krause, O.; Baruffolo, A.; Bonoli, C.; Bortoletto, F.; Danese, L.; Granato, G. L.; Pernechele, C.; Rampazzo, R.; Silva, L.; Zotti, G. De; Pardo, J.; Spaans, M.; van der Tak, F. F. S.; Wild, W.; Ferlet, M. J.; Ramsay Howat, S. K.; Smith, M. D.; Swinyard, B.; Wright, G. S.; Joncas, G.; Martin, P. G.; Davis, C. J.; Draine, B. T.; Goldsmith, P. F.; Mainzer, A. K.; Ogle, P.; Rinehart, S. A.; Stacey, G. J.; Tielens, A. G. G. M.

    The Molecular Hydrogen Explorer, H2 EX, was proposed in response to the ESA 2015 - 2025 Cosmic Vision Call as a medium class space mission with NASA and CSA participations. The mission, conceived to understand the formation of galaxies, stars and planets from molecular hydrogen, is designed to

  14. EPA H2O User Manual

    Science.gov (United States)

    EPA H2O is a software tool designed to support research being conducted in the Tampa Bay watershed to provide information, data, and approaches and guidance that communities can use to examine alternatives when making strategic decisions to support a prosperous and environmentall...

  15. Isotopic equilibrium constants of the deuterium exchange between HDO and H2S, H2Se and H2Te

    International Nuclear Information System (INIS)

    Marx, D.

    1959-11-01

    We have determined experimentally the equilibrium constant K of each of the following isotope exchanges: SH 2 + OHD ↔ SHD + OH 2 ; SeH 2 + OHD ↔ SeHD + OH 2 ; TeH 2 + OHD ↔ TeHD + OH 2 . In gaseous phase, statistical thermodynamics leads to the expression: K (Z OHD x Z RH 2 )/(Z OH 2 x Z RHD ) x e W/T (R being the elements S, Se or Te). Z, the partition functions, have been calculated and, through our experimental results, the constant W has been determined. Having obtained W, the equilibrium constant K has been calculated for a series of temperatures. (author) [fr

  16. NASCENTES ANTROPOGÊNICAS: PROCESSOS TECNOGÊNICOS E HIDROGEOMORFOLÓGICOS

    Directory of Open Access Journals (Sweden)

    Miguel Fernandes Felippe

    2014-04-01

    Full Text Available Nascentes de cursos d’água são sistemas ambientais em que a água emerge naturalmente do meio subterrâneo integrando a rede de drenagem superficial. Porém, no Tecnógeno, as intervenções humanas podem criar condições necessárias para a exfiltração da água onde originalmente isso não ocorreria. Se essa nova zona de descarga se conecta com a rede de drenagem via fluxos superficiais, ela pode ser considerada uma nascente de acordo com os conceitos acadêmicos mais aceitos. Entretanto, por sua origem ter sido induzida pelos seres humanos, esta deve ser considerada uma nascente antropogênica. Esse trabalho aborda conceitualmente as nascentes antropogênicas baseado em trabalhos de campo realizados no espaço metropolitano de Belo Horizonte-MG, explorando suas características principais. Além disso, são evidenciadas as diferenças entre a influência humana sobre as nascentes e a antropogenia desses sistemas, identificando os processos antrópicos que podem originar nascentes e discutindo as possíveis conseqüências dessas intervenções. Por fim, seis casos ilustrativos são apresentados, demonstrando como as nascentes antropogênicas podem ser formadas e suas conseqüências para a dinâmica hidrogeomorfológica.

  17. High purity H2/H2O/Ni/SZ electrodes at 500º C

    DEFF Research Database (Denmark)

    Høgh, Jens Valdemar Thorvald; Hansen, Karin Vels; Norrman, Kion

    2013-01-01

    of stabilized zirconia (SZ) with 10, 13 and 18 mol% yttria and one with 6 mol% scandia plus 4 mol% yttria were studied at open circuit voltage at 400-500 C in mixtures of H2/H2O over 46 days. The polarization resistances (Rp) for all samples increased significantly during the first 10-20 days at 500 C...

  18. A neural network potential energy surface for the NaH2 system and dynamics studies on the H(2S) + NaH(X1Σ+) → Na(2S) + H2(X1Σg+) reaction.

    Science.gov (United States)

    Wang, Shufen; Yuan, Jiuchuang; Li, Huixing; Chen, Maodu

    2017-08-02

    In order to study the dynamics of the reaction H( 2 S) + NaH(X 1 Σ + ) → Na( 2 S) + H 2 (X 1 Σ g + ), a new potential energy surface (PES) for the ground state of the NaH 2 system is constructed based on 35 730 ab initio energy points. Using basis sets of quadruple zeta quality, multireference configuration interaction calculations with Davidson correction were carried out to obtain the ab initio energy points. The neural network method is used to fit the PES, and the root mean square error is very small (0.00639 eV). The bond lengths, dissociation energies, zero-point energies and spectroscopic constants of H 2 (X 1 Σ g + ) and NaH(X 1 Σ + ) obtained on the new NaH 2 PES are in good agreement with the experiment data. On the new PES, the reactant coordinate-based time-dependent wave packet method is applied to study the reaction dynamics of H( 2 S) + NaH(X 1 Σ + ) → Na( 2 S) + H 2 (X 1 Σ g + ), and the reaction probabilities, integral cross-sections (ICSs) and differential cross-sections (DCSs) are obtained. There is no threshold in the reaction due to the absence of an energy barrier on the minimum energy path. When the collision energy increases, the ICSs decrease from a high value at low collision energy. The DCS results show that the angular distribution of the product molecules tends to the forward direction. Compared with the LiH 2 system, the NaH 2 system has a larger mass and the PES has a larger well at the H-NaH configuration, which leads to a higher ICS value in the H( 2 S) + NaH(X 1 Σ + ) → Na( 2 S) + H 2 (X 1 Σ g + ) reaction. Because the H( 2 S) + NaH(X 1 Σ + ) → Na( 2 S) + H 2 (X 1 Σ g + ) reaction releases more energy, the product molecules can be excited to a higher vibrational state.

  19. Investigations on H2 combustion processes

    International Nuclear Information System (INIS)

    Breitung, W.; Hesselschwerdt, E.; Massier, H.; Moeschke, M.; Redlinger, R.; Wilkening, H.; Werle, H.; Wolff, J.

    1995-01-01

    During 1994 results were obtained for turbulent deflagrations, detonation ignition criteria, and detonations. In the field of turbulent deflagrations, two different 2-d codes have been developed, which are capable of describing the large spectrum of combustion regimes important for severe accident analysis. Two series of large scale experiments on turbulent H 2 -air combustion have been completed, one with premixed atmospheres, one with dynamic H 2 -injection into the test volume. They provided new clean data for code evaluation on reactor relevant scale (up to 480 m 3 volume). In the field of detonation ignition criteria different mechanisms were investigated which can trigger a transition from deflagration to detonation (DDT). Large scale experiments were performed on turbulent jet ignition of unconfined H 2 -air mixtures. As in earlier small scale tests, detonation ignition was only observed above 25% hydrogen in air. Such reactive mixtures will be rare in severe accidents. Pressure wave focussing was also investigated experimentally. The Mach numbers necessary to trigger a local detonation in different geometries and in different H 2 -air mixtures were measured on small scale. The conditions necessary for a shockless detonation ignition by induction time gradients were calculated. Only close to the reactor pressure vessel the corresponding temperatures and temperature gradients can possibly exist, not in the remainder of the containment. In the field of detonation modeling the code development was completed. Detonation experiments were performed in a 12 m tube equipped with complex obstacles. Some of the data were used to validate the codes. The remaining analysis will be performed in early 1995. The codes can describe well all important physical phenomena which influence detonation loads in complex 3-d geometries. The validated codes were used to calculate local detonation loads in a preliminary EPR containment. (orig./HP)

  20. Electron mass stopping power in H2

    Science.gov (United States)

    Fursa, Dmitry V.; Zammit, Mark C.; Threlfall, Robert L.; Savage, Jeremy S.; Bray, Igor

    2017-08-01

    Calculations of electron mass stopping power (SP) of electrons in H2 have been performed using the convergent close-coupling method for incident electron energies up to 2000 eV. Convergence of the calculated SP has been established by increasing the size of the close-coupling expansion from 9 to 491 states. Good agreement was found with the SP measurements of Munoz et al. [Chem. Phys. Lett. 433, 253 (2007), 10.1016/j.cplett.2006.10.114].

  1. Solid H2 in the interstellar medium

    Science.gov (United States)

    Füglistaler, A.; Pfenniger, D.

    2018-06-01

    Context. Condensation of H2 in the interstellar medium (ISM) has long been seen as a possibility, either by deposition on dust grains or thanks to a phase transition combined with self-gravity. H2 condensation might explain the observed low efficiency of star formation and might help to hide baryons in spiral galaxies. Aims: Our aim is to quantify the solid fraction of H2 in the ISM due to a phase transition including self-gravity for different densities and temperatures in order to use the results in more complex simulations of the ISM as subgrid physics. Methods: We used molecular dynamics simulations of fluids at different temperatures and densities to study the formation of solids. Once the simulations reached a steady state, we calculated the solid mass fraction, energy increase, and timescales. By determining the power laws measured over several orders of magnitude, we extrapolated to lower densities the higher density fluids that can be simulated with current computers. Results: The solid fraction and energy increase of fluids in a phase transition are above 0.1 and do not follow a power law. Fluids out of a phase transition are still forming a small amount of solids due to chance encounters of molecules. The solid mass fraction and energy increase of these fluids are linearly dependent on density and can easily be extrapolated. The timescale is below one second, the condensation can be considered instantaneous. Conclusions: The presence of solid H2 grains has important dynamic implications on the ISM as they may be the building blocks for larger solid bodies when gravity is included. We provide the solid mass fraction, energy increase, and timescales for high density fluids and extrapolation laws for lower densities.

  2. Electron scattering from H2+: Resonances in the Π symmetries

    International Nuclear Information System (INIS)

    Collins, L.A.; Schneider, B.I.; Noble, C.J.

    1992-01-01

    We present the results of calculations for e - +H 2 + scattering in the region below the first excited state. We employ three distinct and independent methods, close-coupling linear algebraic, effective-optical-potential linear algebraic, and R matrix, to examine the collision at the highest level of sophistication and to provide a valuable check on the results of a single technique. For the 1 Π u and 3 Π u symmetries, we find strong interference effects between various autoionizing series, leading to significant variations of the resonance width with internuclear separation R. Such variations may have profound effects on such processes as photoionization, dissociation, and recombination. For the 1 Π g and 3 Π g symmetries, we observe monotonic behavior of the width with R and find no evidence of strong interference effects or rapid changes

  3. Emission of Lyman α radiation in H2 + H*(2s) collisions at thermal energies

    International Nuclear Information System (INIS)

    Stern, B.

    1991-01-01

    A previously-published study of the thermal-energy collision between H 2 and metastable H*(2s), which could lead to the emission of Lyman α radiation, is reconsidered to take into account possible polarization effects. The total was function of the system is expanded in terms of the molecular states of the intermediate complex H 2 * , which constitute the minimal basis of the four adiabatic states dissociating into H 2 + H*(n=2) where they are normally degenerate in energy. The results of the calculation show the existence, between three of those states, of average values of the separation distance R (R ≅ 10 atomic units) of long range (ΔR ≅ 2 au) electronic interactions which depend on the geometric form of the H 2 * molecule. From the molecular data the hypothesis of no longer considering H 2 with H*(2s) as a rigid rotator is postulated and justified, after a purely quantum mechanical treatment of the radial equations. The mean ratio of the (oscillating) polarization angular differential cross sections tot he elastic ones is found important (> ∼ 1/10). The inelastic phenomena are anticipated to be more marked in the ortho than in the para hydrogen at a low collision energy (75 meV). (15 refs., 2 tabs., 9 figs.)

  4. Reversible Photoinduced Reductive Elimination of H2 from the Nitrogenase Dihydride State, the E(4)(4H) Janus Intermediate.

    Science.gov (United States)

    Lukoyanov, Dmitriy; Khadka, Nimesh; Yang, Zhi-Yong; Dean, Dennis R; Seefeldt, Lance C; Hoffman, Brian M

    2016-02-03

    We recently demonstrated that N2 reduction by nitrogenase involves the obligatory release of one H2 per N2 reduced. These studies focus on the E4(4H) "Janus intermediate", which has accumulated four reducing equivalents as two [Fe-H-Fe] bridging hydrides. E4(4H) is poised to bind and reduce N2 through reductive elimination (re) of the two hydrides as H2, coupled to the binding/reduction of N2. To obtain atomic-level details of the re activation process, we carried out in situ 450 nm photolysis of E4(4H) in an EPR cavity at temperatures below 20 K. ENDOR and EPR measurements show that photolysis generates a new FeMo-co state, denoted E4(2H)*, through the photoinduced re of the two bridging hydrides of E4(4H) as H2. During cryoannealing at temperatures above 175 K, E4(2H)* reverts to E4(4H) through the oxidative addition (oa) of the H2. The photolysis quantum yield is temperature invariant at liquid helium temperatures and shows a rather large kinetic isotope effect, KIE = 10. These observations imply that photoinduced release of H2 involves a barrier to the combination of the two nascent H atoms, in contrast to a barrierless process for monometallic inorganic complexes, and further suggest that H2 formation involves nuclear tunneling through that barrier. The oa recombination of E4(2H)* with the liberated H2 offers compelling evidence for the Janus intermediate as the point at which H2 is necessarily lost during N2 reduction; this mechanistically coupled loss must be gated by N2 addition that drives the re/oa equilibrium toward reductive elimination of H2 with N2 binding/reduction.

  5. An Institutional Perspective on Business Planning Activities for Nascent Entrepreneurs in Sweden and the US

    Directory of Open Access Journals (Sweden)

    Benson Honig

    2013-11-01

    Full Text Available We compared nascent characteristics and behaviors leading to business planning activities in Sweden with the United States (US, examining the effects of institutional pressures exerted in the different countries. We analyzed institutional factors leading 362 Swedish and 347 US entrepreneurs to write plans during a two-year period. We show that national cultures moderate how institutional pressures influence nascent behaviors, questioning generic applications of institutional theory. We found business planning behaviors moderated by nationality, showing significant and negative effects for business classes in the US. Implications are drawn for institutional theory and the study of nascent businesses, as well as for normative business planning literature and practice of nascent businesses.

  6. The structure of mixed H2O-OH monolayer films on Ru(0001)

    DEFF Research Database (Denmark)

    Tatarkhanov, M.; Fomin, E.; Salmeron, M.

    2008-01-01

    temperature molecular phase can also be converted to a mixed H2O-OH phase through excitation by the tunneling electrons when their energy is 0.5 eV or higher above the Fermi level. Structural models based on the STM images were used for density functional theory optimizations of the stripe geometry...

  7. Electron capture and ionization in collisions of multiply charged ions with H(2s)

    International Nuclear Information System (INIS)

    Errea, L F; Guzman, F; Illescas, Clara; Mendez, L; Pons, B; Riera, A; Suarez, J

    2007-01-01

    We present total cross sections for electron capture and ionization in collisions of B 5+ and Ne 10+ with H(2s), calculated using two methods: the semiclassical close-coupling molecular formalism and the eikonal-CTMC method. We have evaluated partial cross sections for capture into excited n-levels, required in plasma diagnostics

  8. Near-Infrared [Fe II] and H2 Study of the Galactic Supernova Remnants

    Science.gov (United States)

    Lee, Yong-Hyun; Koo, Bon-Chul; Lee, Jae-Joon; Jaffe, Daniel T.; Burton, Michael G.; Ryder, Stuart D.

    2018-01-01

    We have searched for near-infrared (NIR) [Fe II] (1.644 μm) and H2 1-0 S(1) (2.122 μm) emission features associated with Galactic supernova remnants (SNRs) using the narrow-band imaging surveys UWIFE / UWISH2 (UKIRT Widefield Infrared Survey for [Fe II] / H2). Both surveys cover about 180 square degrees of the first Galactic quadrant (7° reversal” phenomenon, i.e., the H2 emission features are detected outside the [Fe II] emission boundary. We carried out high resolution (R~40,000) NIR H- and K-band spectroscopy of the five SNRs showing the [Fe II]-H2 reversal (G11.2-0.3, KES 73, W44, 3C 396, W49B) using IGRINS (Immersion GRating INfrared Spectrograph). Various ro-vibrational H2 lines have been detected, which are used to derive the kinematic distances to the SNRs and to investigate the origin of the H2 emission. The detected H2 lines show broad line width (> 10 km s-1) and line flux ratios of thermal excitation. We discuss the origin of the extended H2 emission features beyond the the [Fe II] emission boundary.

  9. Dissociative phototionization cross sections of H2, SO2 and H2O

    International Nuclear Information System (INIS)

    Chung, Y.

    1989-01-01

    The partial photoionization cross sections of H 2 , SO 2 , and H 2 O were calculated from the measured photoionization branching ratios and the known total photoionization cross sections. The branching ratios were measured with a time-of-flight mass spectrometer and synchrotron radiation. The branching ratios Of H 2 , SO 2 , and H 2 O were measured for 100 ∼ 410, 150 ∼ 380 and 120 ∼ 720 angstrom. The author also measured the photoionization yield Of SO 2 from 520 to 665 angstrom using a double ion chamber and a glow discharge light source. The principle of a time-of-flight mass spectrometer is explained. New calculations were made to see how the design of the mass spectrometer, applied voltage, and kinetic energy of the ions affect the overall performance of the mass spectrometer. Several useful techniques that we used at the synchrotron for wavelength calibration and higher order suppression are also discussed

  10. H2@Scale Resource and Market Analysis

    Energy Technology Data Exchange (ETDEWEB)

    Ruth, Mark

    2017-07-12

    This presentation overviews progress to date on the H2@Scale resource and market analysis work. The work finds, for example, that hydrogen demand of 60 MMT/yr is possible when transportation and industry are considered; resources are available to meet that demand; using renewable resources would reduce emissions and fossil use by over 15%; further impacts are possible when considering synergistic benefits; additional analysis is underway to improve understanding of potential markets and synergistic impacts; and further analysis will be necessary to estimate impacts due to spatial characteristics, feedback effects in the economy, and inertia characteristics.

  11. Photoionization Models of the H_2 Emission of the Narrow Line Region of AGNs

    Science.gov (United States)

    Aleman, I.; Gruenwald, R.

    2011-05-01

    The excitation mechanism of the narrow line region (NLR) of AGNs is still an open question. Excitation by UV radiation from O and B stars, x-rays from the central black hole, shock from supernovae or jets, or a combination of these mechanisms have been suggested. In the present work, we use photoionization models to study the excitation mechanisms of the H_2 infrared emission lines in the NLR. In the literature, analyzes of the H_2 emission have been done assuming that the molecules is present only in neutral regions (photodissociation regions, x-ray-dominated regions, or shocks; Veilleux et al. 1997, Krabbe et al. 2000, Rigopoulou et al. 2002, Rodriguez-Ardila et al. 2004, 2005, and Davies et al. 2005). However, they are not conclusive. In previous work (Aleman & Gruenwald 2004, 2011), we show that the H_2 emission from the ionized region of PNe can be significant for planetary nebulae (PNe) with hot central stars (T⋆ > 150000 K). Such stars produce copious amounts of high energy photons, which create an extended partially ionized region that favors the H_2 survival. The conditions in the NLR are similar to those in PNe with hot central stars, so we can expect that the H_2 emission might also be important. We obtain and analyze a grid of photoionization models for different NRL parameters. We study the resulting H_2 density and emission, as well as, the formation, destruction, excitation, and de-excitation mechanisms. The higher values observed for the H_2 1-0 S(1)/Brγ ratio cannot be reproduced by our models. The calculated ratios are between 10^-8 and 10^-1, while the observational ration can be as high as 10. The calculated ratio is strongly anti-correlated with the ionization parameter (U) and only models with U<10-3 result in ratios inside the observational range. We show that the NLR is an environment more hostile to the H_2 molecule than the ionized region of PNe. Another interesting result of our calculations is that the H_2 formation on grain surfaces

  12. Uranous nitrate production using PtO2 catalyst and H2/H2 gas mixtures

    International Nuclear Information System (INIS)

    Rao, K.S.; Shyamlal, R.; Narayanan, C.V.; Patil, A.R.; Ramanujam, A.; Kansra, V.P.; Balu, K.; Vaidya, V.N.

    2001-01-01

    The feasibility of producing near 100% uranous nitrate, the partitioning agent used in the spent fuel reprocessing by Purex process, by catalytically reducing uranyl nitrate with H 2 and H 2 gas mixtures was extensively studied. As near quantitative reduction of uranyl nitrate could be easily achieved in laboratory scale studies, pilot plant scale reduction of uranyl nitrate was also carried out and five litres of uranyl nitrate of 100 g/1 could be quantitatively reduced in one hour. (author)

  13. DESENVOLVIMENTO DE UMA TIPOLOGIA HIDROGEOMORFOLÓGICA DE NASCENTES BASEADA EM ESTATÍSTICA NEBULOSA MULTIVARIADA

    Directory of Open Access Journals (Sweden)

    Miguel Fernandes Felippe

    2014-09-01

    Full Text Available As nascentes de cursos d’água são sistemas hidrogeomorfológicos complexos, caracterizados por uma grande variabilidade de seus elementos estruturantes. Esta heterogeneidade ainda pouco conhecida cria dificuldades para os processos de gestão ambiental, pois, em teoria, cada nascente responde a perturbações de maneira diferente. Nesse sentido, este trabalho tem como objetivo desenvolver uma tipologia de nascentes com base em suas características hidrogeomorfológicas que sistematize sua heterogeneidade, sem perder seus aspectos individuais. Para atingir esta meta um método de máxima verossimilhança baseado na teoria dos conjuntos nebulosos foi usado para criar perfis multivariados para 79 nascentes catalogadas em três parques urbanos de Belo Horizonte - MG. Após uma série de testes estatísticos, propuseram-se seis tipos básicos no qual as nascentes podem ser enquadradas. No entanto, o principal avanço desta técnica é permitir a comparação entre os diferentes graus de pertencimento de cada nascente em cada tipo criado, auxiliando na compreensão da sua diversidade, sem esconder a sua heterogeneidade.

  14. Core excitation and de-excitation spectroscopies of free atoms and molecules

    International Nuclear Information System (INIS)

    Ueda, Kiyoshi

    2006-01-01

    This article provides a review of the current status of core excitation and de-excitation spectroscopy studies of free atoms molecules using a high-resolution soft X-ray monochromator and a high-resolution electron energy analyzer, installed in the soft X-ray photochemistry beam line at SPring-8. Experimental results are discussed for 1s excitation of Ne, O 1s excitation of CO and H 2 O, and F 1s excitation of CF 4 . (author)

  15. H2O2 INDUCES DELAYED HYPEREXCITABILITY IN NUCLEUS TRACTUS SOLITARII NEURONS

    Science.gov (United States)

    Ostrowski, Tim D.; Hasser, Eileen M.; Heesch, Cheryl M.; Kline, David D.

    2014-01-01

    Hydrogen peroxide (H2O2) is a stable reactive oxygen species and potent neuromodulator of cellular and synaptic activity. Centrally, endogenous H2O2 is elevated during bouts of hypoxia-reoxygenation, a variety of disease states, and aging. The nucleus tractus solitarii (nTS) is the central termination site of visceral afferents for homeostatic reflexes and contributes to reflex alterations during these conditions. We determined the extent to which H2O2 modulates synaptic and membrane properties in nTS neurons in rat brainstem slices. Stimulation of the tractus solitarii (which contains the sensory afferent fibers) evoked synaptic currents that were not altered by 10 – 500 μM H2O2. However, 500 μM H2O2 modulated several intrinsic membrane properties of nTS neurons, including a decrease in input resistance, hyperpolarization of resting membrane potential (RMP) and action potential (AP) threshold (THR), and an initial reduction in AP discharge to depolarizing current. H2O2 increased conductance of barium-sensitive potassium currents, and block of these currents ablated H2O2-induced changes in RMP, input resistance and AP discharge. Following washout of H2O2 AP discharge was enhanced due to depolarization of RMP and a partially maintained hyperpolarization of THR. Hyperexcitability persisted with repeated H2O2 exposure. H2O2 effects on RMP and THR were ablated by intracellular administration of the antioxidant catalase, which was immunohistochemically identified in neurons throughout the nTS. Thus, H2O2 initially reduces excitability of nTS neurons that is followed by sustained hyperexcitability, which may play a profound role in cardiorespiratory reflexes. PMID:24397952

  16. Cryogenic exciter

    Science.gov (United States)

    Bray, James William [Niskayuna, NY; Garces, Luis Jose [Niskayuna, NY

    2012-03-13

    The disclosed technology is a cryogenic static exciter. The cryogenic static exciter is connected to a synchronous electric machine that has a field winding. The synchronous electric machine is cooled via a refrigerator or cryogen like liquid nitrogen. The static exciter is in communication with the field winding and is operating at ambient temperature. The static exciter receives cooling from a refrigerator or cryogen source, which may also service the synchronous machine, to selected areas of the static exciter and the cooling selectively reduces the operating temperature of the selected areas of the static exciter.

  17. Kinetic model of a Ne-H2 Penning Recombination Laser operating in the hollow cathode discharge

    International Nuclear Information System (INIS)

    Pramatarov, P.M.; Stefanova, M.S.; Petrov, G.M.

    1995-01-01

    The Penning Recombination Laser (PRL) requires the presence of both a recombination plasma populating the upper laser level (ULL) and a gas component efficiently depopulating the lower laser level (LLL) by Penning reactions. Such requirements are met in the negative glow plasma of a pulsed high voltage Ne-H 2 discharge with a helical hollow cathode. High rates of ionizations followed by recombinations are reached due to the beam component of non-Maxwellian electrons of 1-2 keV energy present in the tail of the electron energy distribution function. The H 2 , on the one hand plays the role of Penning component and on the other hand effectively cools the electrons by rotational and vibrational levels excitation. The latter contributes to the effectiveness of the recombination processes. A kinetic model of the physical processes determining the inversion population on the NeI(2p 1 -1s 2 ) transition (the 585.3 nm line) in a Ne-H 2 PRL operating in a high voltage hollow cathode discharge at intermediate pressures is proposed. About 60 plasma-chemical reactions are considered in the model. These include: two-electron recombination of Ne + ; dissociative recombination of Ne 2 + , NeH + and H 2 + ; ion-ion recombination of Ne + and H - ; Ne and H 2 direct ionization by fast electrons; Ne stepwise ionization; Penning ionization; Ne excitation by fast electrons; Ne stepwise excitation and de-excitation; radiative transitions; electron mixing between Ne excited states; H 2 rotational and vibrational levels excitation; H 2 dissociative attachment; elastic electron collisions with H 2 and Ne. The rate constants for the reactions are either taken from the literature or calculated in this work

  18. Hydrogen Dynamics in Cyanobacteria Dominated Microbial Mats Measured by Novel Combined H2/H2S and H2/O2 Microsensors

    Directory of Open Access Journals (Sweden)

    Karen Maegaard

    2017-10-01

    Full Text Available Hydrogen may accumulate to micromolar concentrations in cyanobacterial mat communities from various environments, but the governing factors for this accumulation are poorly described. We used newly developed sensors allowing for simultaneous measurement of H2S and H2 or O2 and H2 within the same point to elucidate the interactions between oxygen, sulfate reducing bacteria, and H2 producing microbes. After onset of darkness and subsequent change from oxic to anoxic conditions within the uppermost ∼1 mm of the mat, H2 accumulated to concentrations of up to 40 μmol L-1 in the formerly oxic layer, but with high variability among sites and sampling dates. The immediate onset of H2 production after darkening points to fermentation as the main H2 producing process in this mat. The measured profiles indicate that a gradual disappearance of the H2 peak was mainly due to the activity of sulfate reducing bacteria that invaded the formerly oxic surface layer from below, or persisted in an inactive state in the oxic mat during illumination. The absence of significant H2 consumption in the formerly oxic mat during the first ∼30 min after onset of anoxic conditions indicated absence of active sulfate reducers in this layer during the oxic period. Addition of the methanogenesis inhibitor BES led to increase in H2, indicating that methanogens contributed to the consumption of H2. Both H2 formation and consumption seemed unaffected by the presence/absence of H2S.

  19. Molecular beam scattering experiments with polar molecules. 1. Differential elastic scattering of H2+NH3 and H2+H2O

    International Nuclear Information System (INIS)

    Bickes, R.W. Jr.; Scoles, G.; Smith, K.M.

    1974-01-01

    Differential elastic scattering cross sections with well resolved quantum oscillations have been measuremed for the systems H 2 +NH 3 and H 2 +H 2 O. Assuming a spherically symmetric interaction the data show that a simple spherical potential (i.e. Lennard-Jones) does not properly describe the scattering

  20. A process for the thermochemical poduction of H2

    International Nuclear Information System (INIS)

    Norman, J.H.; Russell, J.L. Jr.; Porter, J.T. II; McCorkl, K.H.; Roemer, T.S.; Sharp, Robert.

    1976-01-01

    A process is described for the thermochemical production of H 2 from water. HI 3 and H 2 SO 4 are prepared by chemical reaction between I 2 , SO 2 and H 2 O. Then HI 3 is heated and decomposed into H 2 and I 2 . The heat is produced by a nuclear reactor [fr

  1. Charge transfer processes in collisions of H+ ions with H2, D2, CO, CO2 CH4, C2H2, C2H6 and C3H8 molecules below 10 keV

    International Nuclear Information System (INIS)

    Kusakabe, T.; Buenker, R.J.; Kimura, M.

    2002-01-01

    Charge transfer processes resulting from collisions of H + ions with H 2 , D 2 , CO, CO 2 CH 4 , C 2 H 2 , C 2 H 6 and C 3 H 8 molecules have been investigated in the energy range of 0.2 to 4.0 keV experimentally and theoretically. The initial growth rate method was employed in the experiment for studying the dynamics and cross sections. Theoretical analysis based on a molecular-orbital expansion method for H 2 , D 2 , CO, CH 4 and C 2 H 2 targets was also carried out. The present results for the H 2 , CO and CO 2 molecules by H + impact are found to be in excellent accord with most of previous measurements above 1 keV, but they show some differences below this energy where our result displays a stronger energy-dependence. For CH 4 , C 2 H 2 , C 2 H 6 and C 3 H 8 targets, both experimental and theoretical results indicate that if one assumes vibrationally excited molecular ions (CH 4 + , C 2 H 2 + , C 2 H 6 + and C 3 H 8 + ) formed in the exit channel, then charge transfer processes sometimes become more favorable since these vibrationally excited fragments meet an accidental resonant condition. This is a clear indication of the role of vibrational excited states for charge transfer, and is an important realization for general understanding. (author)

  2. Coulomb excitation

    International Nuclear Information System (INIS)

    McGowan, F.K.; Stelson, P.H.

    1974-01-01

    The theory of Coulomb excitation and a brief review of pertinent treatments of the Coulomb excitation process that are useful for the analysis of experiments are given. Examples demonstrating the scope of nuclear structure information obtainable from gamma spectroscopy are presented. Direct Elambda excitation of 232 Th is discussed in terms of the one phonon octupole vibrational spectrum. B(MI) reduced transition probabilities resulting from Coulomb excitation of odd-A deformed nuclei with heavy ions are presented as a test of the rotational model. The use of gamma ray coincidence and particle-gamma coincidence as tools for investigating Coulomb excitation is discussed. (U.S.)

  3. The synthesis of [2-3H2] taurine and [2-3H2] hypotaurine

    International Nuclear Information System (INIS)

    Fellman, J.H.

    1981-01-01

    The synthesis of [2- 3 H 2 ]-2-aminoethanesulfonate [2- 3 H]-taurine by the reduction of cyanomethanesulfonic acid with tritium gas is described. The conversion of [2- 3 H]-taurine and its 14 C and 35 S isotopic forms to 2-aminoethanesulfinate (hypotaurine) was accomplished by converting taurine to its corresponding sulfonyl chloride and reducing the latter with metallic zinc. (author)

  4. H2O2 space shuttle APU

    Science.gov (United States)

    1975-01-01

    A cryogenic H2-O2 auxiliary power unit (APU) was developed and successfully demonstrated. It has potential application as a minimum weight alternate to the space shuttle baseline APU because of its (1) low specific propellant consumption and (2) heat sink capabilities that reduce the amount of expendable evaporants. A reference system was designed with the necessary heat exchangers, combustor, turbine-gearbox, valves, and electronic controls to provide 400 shp to two aircraft hydraulic pumps. Development testing was carried out first on the combustor and control valves. This was followed by development of the control subsystem including the controller, the hydrogen and oxygen control valves, the combustor, and a turbine simulator. The complete APU system was hot tested for 10 hr with ambient and cryogenic propellants. Demonstrated at 95 percent of design power was 2.25 lb/hp-hr. At 10 percent design power, specific propellant consumption was 4 lb/hp-hr with space simulated exhaust and 5.2 lb/hp-hr with ambient exhaust. A 10 percent specific propellant consumption improvement is possible with some seal modifications. It was demonstrated that APU power levels could be changed by several hundred horsepower in less than 100 msec without exceeding allowable turbine inlet temperatures or turbine speed.

  5. Methodological aspects of breath hydrogen (H2) analysis. Evaluation of a H2 monitor and interpretation of the breath H2 test

    DEFF Research Database (Denmark)

    Rumessen, J J; Kokholm, G; Gudmand-Høyer, E

    1987-01-01

    The reliability of end-expiratory hydrogen (H2) breath tests were assessed and the significance of some important pitfalls were studied, using a compact, rapid H2-monitor with electrochemical cells. The H2 response was shown to be linear and stable. The reproducibility of the breath collection...... were studied in 10 healthy adults during a 4-month period and they showed very marked inter- and intra-individual variability (16% above 40 p.p.m.). Initial peaks (early, short-lived H2 rises unrelated to carbohydrate malabsorption) were identified in 25% of the breath tests (in 4% above 20 p.......p.m). It is concluded that the technique used for interval sampling of end-expiratory breath samples for H2 concentration gives reliable results. The biological significance of H2 concentration increments can only be evaluated if the limitations of the technical procedures and the individual ability to produce H2...

  6. Effects of autoionizing states on two-photon double ionization of the H2 molecule

    International Nuclear Information System (INIS)

    Guan, Xiaoxu; Bartschat, Klaus; Schneider, Barry I; Koesterke, Lars

    2014-01-01

    Treating the effects of autoionizing intermediate states on two-photon double ionization (DI) of the H 2 molecule using time-dependent laser pulses is a significant computational challenge. Relatively long exposure times are critical to understanding the dynamics. Using the fixed-nuclei approximation, we demonstrate how the doubly excited states enhance the angle-integrated generalized cross sections in H 2 , and how they affect the angular distribution pattern of the ejected electrons. As the energy approaches the threshold for sequential DI, there is a sharp rise in the cross section due to virtual sequential ionization

  7. Ultraviolet continuum and H2 fluorescent emission in Herbig-Haro objects 43 and 47

    International Nuclear Information System (INIS)

    Schwartz, R.D.

    1983-01-01

    The results of International Ultraviolet Explorer (IUE) short-wavelength spectra of the low-excitation Herbig-Haro objects HH 43 and HH 47 are reported. In HH 43 a number of emission lines in the Lyman band of H 2 from the excited state 1 μ + /sub u/, #betta#' = 1, J' = 4 are observed. The lines are produced by fluorescence from the H Lyα line which pumps the lower state 1 μ + /sub g/, #betta#'' = 2.J'' = 5 which in turn is excited by a low-velocity shock wave. No evidence of emission from highly ionized gas is present in the UV spectra. Both objects exhibit a UV continuum which peaks in the vicinity of 1500 A and which is probably caused by hydrogen two-photon emission enhanced by collisional excitation in a low-velocity shock

  8. Improved parametric fits for the HeH2 ab initio energy surface

    International Nuclear Information System (INIS)

    Muchnick, P.

    1992-01-01

    A brief history of the development of ab initio calculations for the HeH 2 quasi-molecule energy surface, and the parametric fits to these ab initio calculations, is presented. The concept of 'physical reasonableness' of the parametric fit is discussed. Several new improved parametric fits for the energy surface, meeting these requirements, are then proposed. One fit extends the Russek-Garcia parametric fit for the deep repulsion region to include r-dependent parameters, resulting in a more physically reasonable fit with smaller average error. This improved surface fit is applied to quasi-elastic collisions of He on H 2 in the impulse approximation. Previous classical calculations of the scaled inelastic vibrorotational excitation energy distributions are improved with this more accurate parametric fit of the energy surface and with the incorporation of quantum effects in vibrational excitation. It is shown that Sigmund's approach in developing his scaling law is incomplete in the contribution of the three-body interactions to vibrational excitation of the H 2 molecule is concerned. The Sigmund theory is extended to take into account for r-dependency of three-body interactions. A parametric fit for the entire energy surface from essentially 0 ≤R≤∞ and 1.2≤r≤1.6 a.u., where R is the intermolecular spacing and r is the hydrogen bonding length, is also presented. This fit is physically reasonable in all asymptotic limits. This first, full surface parametric fit is based primarily upon a composite of ab initio studies by Russek and Garcia and Meyer, Hariharan and Kutzelnigg. Parametric fits for the H 2 (1sσ g ) 2 , H 2 + (1sσ g ), H 2 + (2pσ u ) and (LiH 2 ) + energy surfaces are also presented. The new parametric fits for H 2 , H 2 + (1sσ g ) are shown to be improvements over the well-known Morse potentials for these surfaces

  9. Contribution of the pre-ionized H2 and the ionized H2+ subsystems to the HHG Spectra of H2 in intense laser fields

    Science.gov (United States)

    Iravani, Hossein; Sabzyan, Hassan; Vafaee, Mohsen; Buzari, Behnaz

    2018-04-01

    Contributions of the pre-ionized H2 (PI-H2) and ionized {{{H}}}2+ subsystems of the two-electron H2 system to its high-order harmonic generation in eight-cycle sin2-like ultrafast intense laser pulses are calculated and analyzed based on the solution of the time-dependent Schrödinger equation for the one-dimensional two-electronic H2 system with fixed nuclei. The laser pulses have λ = 390 and 532 nm wavelengths and I = 1 × 1014, 5 × 1014, 1 × 1015 and 5 × 1015 W cm‑2 intensities. It is found that at the two lower intensities, the PI-H2 subsystem dominantly produces the HHG spectra. However, at the two higher intensities, both PI-H2 and ionized {{{H}}}2+ subsystems contribute comparably to the HHG spectra. In the {{{H}}}2+ subsystem, the symmetry of the populations of {{{H}}}2+(I) and {{{H}}}2+(II) regions (left and right regions of {{{H}}}2+ subsystem) is broken by increasing the laser intensity. Complex patterns and even harmonics also appear at these two higher intensities. For instance, at 1 × 1015 W cm‑2 intensity and λ = 532 nm wavelength, the even harmonics are appeared near cutoff region. Interestingly, at 5 × 1015 W cm‑2 intensity and λ = 390 nm wavelength, the even harmonics replaced by the odd harmonics with red shift. At λ = 390 and 532 nm wavelengths and I = 1 × 1015 intensity, the two-electron cutoffs corresponding to nonsequential double-recombination with maximum return kinetic energy of 4.70Up are detected. The HHG spectra of the whole H2 system obtained with and without nuclear dynamics treated classically are approximately similar. However, at 1 × 1015 W cm‑2 intensity and λ = 532 nm wavelength, if we take into account nuclear dynamics, the even harmonics which are appeared near cutoff region, replaced by the odd harmonics with blue shift.

  10. Schroedinger equation from 0 (h/2π) to o(h/2πinfinity)

    International Nuclear Information System (INIS)

    Voros, A.

    1985-08-01

    The Balian and Bloch idea, that the semiclassical treatment of the Schroedinger equation can be carried out exactly to all orders, o(h/2πinfinity), has been explicitly confirmed upon the time-independent equation with a polynomial potential V(q) in one degree of freedom. The global analytic structure of certain functions, which encode the full eigenvalue distribution, has indeed been computed in great detail with the complex WKB method, yielding a structure called a resurgence algebra. In the special case V(q) = q 2 sub(M), this leads to sum rules for the eigenvalues, which have been verified numerically. Inasmuch as the leading order 0(h/2π) of the WKB expansion amounts to the stationary phase evaluation of the Feynman path integral, it is a yet unsolved challenge to reproduce our results by an exact analysis of this path integral using a generalized saddle-point treatment

  11. Structure of LaH(PO3H)2.3H2O

    International Nuclear Information System (INIS)

    Loukili, M.; Durand, J.; Larbot, A.; Cot, L.; Rafiq, M.

    1991-01-01

    Lanthanum hydrogen bis(hydrogenphosphite) trihydrate, LaH(Po 3 H) 2 .3H 2 O, M r =353.8, monoclinic, P2 1 /c, a=9.687 (3), b=7.138 (2), c=13.518 A, β=104.48 (3) deg, V=905.0 (5) A 3 , Z=4, D m =2.56 (2), D x =2.598 Mg m -3 , λ(MoKα)=0.71073 A, μ(MoKα)=5.103 mm -1 , F(000)=672, T=300 K, R=0.032 for 1018 independent observed reflections. The structure contains two phosphite anions connected by a hydrogen bond. The La 3+ cation is eight coordinated by seven O atoms from phosphite anions and one O atom of a water molecule. (orig.)

  12. Behaviour of ceramic and metallic layers in a H2O-H2S

    International Nuclear Information System (INIS)

    Furtuna, I.; Mihailescu, M.; Deaconu, M.; Dinu, A.; Cotolan, V; Nedelcu, L.; Titescu, Gh.

    1996-01-01

    In the installations for heavy water production there exist zones where the action of aggressive working conditions combined with a severe variable hydrodynamical regime lead to the destruction of the pyrite protecting layer. An alternating solution for the protection of these zones is to cover them with ceramic or metallic layers. This work presents the results of the preliminary tests on G28-52 steel samples, covered with ceramic and metallic layers, in the working environment (H 2 O-H 2 S) of the heavy water production installations and in severe hydrodynamical conditions. On the basis of the results obtained in the experiments and from the examination of the microstructure of the layers prior and after testing, a phenomenological model was developed to explain the behaviour of the deposed layers. On the basis of this model the conditions that the layers must satisfy have been deduced to improve their behaviour in the working environment

  13. DFT Calculation of IR Absorption Spectra for PCE-nH2O, TCE-nH2O, DCE-nH2O, VC-nH2O for Small and Water-Dominated Molecular Clusters

    Science.gov (United States)

    2017-10-31

    VC-nH2O for Small and Water-Dominated Molecular Clusters October 31, 2017 Approved for public release; distribution is unlimited. L. Huang S.g...Calculation of IR Absorption Spectra for PCE-nH2O, TCE-nH2O, DCE-nH2O, VC-nH2O for Small and Water-Dominated Molecular Clusters L. Huang,1 S.G...nH2O molecular clusters using density function theory (DFT). DFT can provide interpretation of absorption spectra with respect to molecular

  14. Reactive collisions of electrons with H2+ , HD+, BeH+, BeD+ and SH+

    Science.gov (United States)

    Pop, Nicolina; Iacob, Felix; Mezei, János Zsolt; Motapon, Ousmanou; Niyonzima, Sebastien; Kashinski, David O.; Talbi, Dahbia; Hickman, Albert Peet; Schneider, Ioan F.

    2017-12-01

    In numerous cold ionized gases the dissociative recombination (DR), the elastic collisions (EC), the vibrational excitation (VE) (inelastic collisions) and the vibrational de-excitation (VdE) (super-elastic collisions) of molecular cations with electrons are major elementary processes. Using a stepwise method based on the Multichannel Quantum Defect Theory (MQDT), cross sections and rate coefficients have been obtained for reactions induced on HD+, H2+, BeH+, BeD+ and SH+. Moreover, the relative importance of the different reaction mechanisms, direct vs. indirect and rotational vs. non-rotational, have been studied for these molecular systems.

  15. Exciter switch

    Science.gov (United States)

    Mcpeak, W. L.

    1975-01-01

    A new exciter switch assembly has been installed at the three DSN 64-m deep space stations. This assembly provides for switching Block III and Block IV exciters to either the high-power or 20-kW transmitters in either dual-carrier or single-carrier mode. In the dual-carrier mode, it provides for balancing the two drive signals from a single control panel located in the transmitter local control and remote control consoles. In addition to the improved switching capabilities, extensive monitoring of both the exciter switch assembly and Transmitter Subsystem is provided by the exciter switch monitor and display assemblies.

  16. Hydrogen constituents of the mesosphere inferred from positive ions - H2O, CH4, H2CO, H2O2, and HCN

    Science.gov (United States)

    Kopp, E.

    1990-01-01

    The concentrations in the mesosphere of H2O, CH4, H2CO, H2O2, and HCN were inferred from data on positive ion compositions, obtained from one mid-latitude and four high-latitude rocket flights. The inferred concentrations were found to agree only partially with the ground-based microwave measurements and/or model prediction by Garcia and Solomon (1985). The CH4 concentration was found to vary between 70 and 4 ppb in daytime and 900 and 100 ppbv at night, respectively. Unexpectedly high H2CO concentrations were obtained, with H2CO/H2O ratios between 0.0006 and 0.1, and a mean HCN volume mixing ratio of 6 x 10 to the -10th was inferred.

  17. Calculation of intermolecular potentials for H2H2 and H2−O2 dimers ab initio and prediction of second virial coefficients

    International Nuclear Information System (INIS)

    Pham Van, Tat; Deiters, Ulrich K.

    2015-01-01

    Highlights: • We construct the angular orientations of dimers H 2H 2 and H 2 −O 2 . • We calculate the ab initio intermolecular interaction energies for all built orientations. • Extrapolating the interaction energies to the complete basis set limit aug-cc-pV23Z. • We develop two 5-site ab initio intermolecular potentials of dimers H 2H 2 , H 2 −O 2 . • Calculating the virial coefficients of dimer H 2H 2 and H 2 −O 2 . - Abstract: The intermolecular interaction potentials of the dimers H 2H 2 and H 2 −O 2 were calculated from quantum mechanics, using coupled-cluster theory CCSD(T) and correlation-consistent basis sets aug-cc-pVmZ (m = 2, 3); the results were extrapolated to the basis set limit aug-cc-pV23Z. The interaction energies were corrected for the basis set superposition error with the counterpoise scheme. For comparison also Møller–Plesset perturbation theory (at levels 2–4) with the basis sets aug-cc-pVTZ were considered, but the results proved inferior. The quantum mechanical results were used to construct analytical pair potential functions. From these functions the second virial coefficients of hydrogen and the cross virial coefficients of the hydrogen–oxygen system were obtained by integration; in both cases corrections for quantum effects were included. The results agree well with experimental data, if available, or with empirical correlations

  18. Ionization of H2O molecules through second order collisions in an argon-filled flow ionization chamber

    International Nuclear Information System (INIS)

    Leonhardt, J.

    1976-01-01

    In an argon-filled ionization chamber with a constant radionuclide radiation source, the ionization of H 2 O through second order collisions with 3sub(p) 2 states of argon excited by field-accelerated electrons is considered within the range of discharge caused by external potentials under atmospheric pressure. It is found that the logarithm of the change of ionization current is proportional to power 3/2 of the electric field strength. Possible formation mechanisms are discussed. Most probable is the ionization of H 2 O through collision with Ar 2 argon dimers originating from excited metastable atoms as a result of triple collision. The production cross section for H 2 O + has been estimated to be sigmasub(H 2 O) approximately 5x10 -15 . (author)

  19. ENHANCED WARM H2 EMISSION IN THE COMPACT GROUP MID-INFRARED ''GREEN VALLEY''

    International Nuclear Information System (INIS)

    Cluver, M. E.; Ogle, P.; Guillard, P.; Appleton, P. N.; Jarrett, T. H.; Rasmussen, J.; Lisenfeld, U.; Verdes-Montenegro, L.; Antonucci, R.; Bitsakis, T.; Charmandaris, V.; Boulanger, F.; Egami, E.; Xu, C. K.; Yun, M. S.

    2013-01-01

    We present results from a Spitzer mid-infrared spectroscopy study of a sample of 74 galaxies located in 23 Hickson Compact Groups (HCGs), chosen to be at a dynamically active stage of H I depletion. We find evidence for enhanced warm H 2 emission (i.e., above that associated with UV excitation in star-forming regions) in 14 galaxies (∼20%), with 8 galaxies having extreme values of L(H 2 S(0)-S(3))/L(7.7 μm polycyclic aromatic hydrocarbon), in excess of 0.07. Such emission has been seen previously in the compact group HCG 92 (Stephan's Quintet), and was shown to be associated with the dissipation of mechanical energy associated with a large-scale shock caused when one group member collided, at high velocity, with tidal debris in the intragroup medium. Similarly, shock excitation or turbulent heating is likely responsible for the enhanced H 2 emission in the compact group galaxies, since other sources of heating (UV or X-ray excitation from star formation or active galactic nuclei) are insufficient to account for the observed emission. The group galaxies fall predominantly in a region of mid-infrared color-color space identified by previous studies as being connected to rapid transformations in HCG galaxy evolution. Furthermore, the majority of H 2 -enhanced galaxies lie in the optical ''green valley'' between the blue cloud and red sequence, and are primarily early-type disk systems. We suggest that H 2 -enhanced systems may represent a specific phase in the evolution of galaxies in dense environments and provide new insight into mechanisms which transform galaxies onto the optical red sequence.

  20. Sudden rotation reactive scattering: Theory and application to 3-D H+H2

    International Nuclear Information System (INIS)

    Bowman, J.M.; Lee, K.T.

    1980-01-01

    An approximate quantum mechanical theory of reactive scattering is presented and applied to the H+H 2 reaction in three dimensions. Centrifugal sudden and rotational sudden approximations are made in each arrangement channel, however, vibrational states are treated in a fully coupled manner. Matching of arrangement channel wave functions is done where the arrangement channel centrifugal potentials are equal. This matching is particularly appropriate for collinearly favored reactions. Integral and differential cross sections are calculated for the H+H 2 reaction for H 2 in the ground and first excited vibrational states. These calculations employ the Porter--Karplus potential energy surface mainly to allow for comparisons with previous accurate and approximate quantal and quasiclassical calculations

  1. Ortho-para-H2 conversion by hydrogen exchange: comparison of theory and experiment.

    Science.gov (United States)

    Lique, François; Honvault, Pascal; Faure, Alexandre

    2012-10-21

    We report fully-quantum time-independent calculations of cross sections and rate coefficients for the collisional (de)excitation of H(2) by H. Our calculations are based on the H(3) global potential energy surface of Mielke et al. [J. Chem. Phys. 116, 4142 (2002)]. The reactive hydrogen exchange channels are taken into account. We show that the ortho-para and para-ortho conversion of H(2) are significant processes at temperatures above ~300 K and for the last process we provide the first comparison with available experimental rate coefficients between 300 and 444 K. The good agreement between theory and experiment is a new illustration of our detailed understanding of the simplest chemical reaction. The importance of the ortho-para-H(2) conversion by hydrogen exchange in astrophysics is discussed.

  2. Genomic constitution of an H-2:Tla variant leukemia.

    Science.gov (United States)

    Shen, F W; Chaganti, R S; Doucette, L A; Litman, G W; Steinmetz, M; Hood, L; Boyse, E A

    1984-10-01

    A TL+ leukemia of a (B6 X A)F1 hybrid mouse (H-2b/H-2a) was previously subjected to immunoselection against H-2a by passage in (B6 X A.SW)F1 mice (H-2b/H-2s). A variant leukemia line was obtained that serologically lacked not only the H-2a phenotype but also the TL phenotype determined by the linked cis Tlaa allele of strain A. The H-2b phenotype and the TL phenotype of the Tlab allele of the B6 strain, which is expressed only by leukemia cells, were retained by the variant. Southern blotting with an H-2 cDNA probe that identifies restriction fragment polymorphisms distinguishing alleles of the H-2 and Tla regions of the B6 and A strains indicates that both the H-2a and Tlaa alleles are missing from the genome of this H-2a:Tlaa negative variant. Since the variant has two apparently unaltered chromosomes 17, where the H-2:Tla complex is situated, and since the intensity of bands in Southern blotting is suggestive of H-2b homozygosity, it is considered that loss of the H-2a:Tlaa haplotype by the variant was accompanied by duplication of the H-2b:Tlab haplotype. The implied change from heterozygosity to homozygosity that the variant has undergone with respect to H-2:Tla was not paralleled by a similar change at the three other loci tested, since the variant retained heterozygosity for Pep-3 (chromosome 1), Gpi-1 (chromosome 7), and Es-1 (chromosome 8).

  3. Structural variations in the H-2 genes of AKR lymphomas.

    NARCIS (Netherlands)

    K. Hui; L. Minamide; N. Prandoni; H. Festenstein; F.G. Grosveld (Frank)

    1986-01-01

    textabstractK36.16 is an AKR H-2k thymoma which expresses an aberrant H-2Dd-like allospecificity, does not have a detectable amount of the H-2Kk syngeneic antigen and grows very easily in syngeneic mice. By DNA-mediated gene transfer experiments, we were able to obtain transformed clones which do

  4. Structure in nascent carbon nanotubes revealed by spatially resolved Raman spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Landois, Périne [CEA, IRAMIS, SPAM, Laboratoire Francis Perrin (CNRS URA 2453), 91191 Gif-sur-Yvette (France); Laboratoire de Physique des Solides, UMR CNRS 8502, Université Paris Sud 11, 91405 Orsay (France); Pinault, Mathieu [CEA, IRAMIS, SPAM, Laboratoire Francis Perrin (CNRS URA 2453), 91191 Gif-sur-Yvette (France); Huard, Mickaël [Laboratoire de Physique des Solides, UMR CNRS 8502, Université Paris Sud 11, 91405 Orsay (France); Reita, Valérie [Univ. Grenoble Alpes, Inst NEEL, F-38042 Grenoble (France); CNRS, Inst NEEL, F-38042 Grenoble (France); Rouzière, Stéphan; Launois, Pascale [Laboratoire de Physique des Solides, UMR CNRS 8502, Université Paris Sud 11, 91405 Orsay (France); Mayne-L' Hermite, Martine [CEA, IRAMIS, SPAM, Laboratoire Francis Perrin (CNRS URA 2453), 91191 Gif-sur-Yvette (France); Bendiab, Nedjma, E-mail: nedjma.bendiab@grenoble.cnrs.fr [Univ. Grenoble Alpes, Inst NEEL, F-38042 Grenoble (France); CNRS, Inst NEEL, F-38042 Grenoble (France)

    2014-10-01

    The understanding of carbon nanotube (CNT) growth is crucial for the control of their production. In particular, the identification of structural changes of carbon possibly occurring near the catalyst particle in the very early stages of their formation is of high interest. In this study, samples of nascent CNT obtained during nucleation step and samples of vertically aligned CNT obtained during growth step are analysed by combined spatially resolved Raman spectroscopy and X-ray diffraction measurements. Spatially resolved Raman spectroscopy reveals that iron-based phases and carbon phases are co-localized at the same position, and indicates that sp{sup 2} carbon nucleates preferentially on iron-based particles during this nucleation step. Depth scan Raman spectroscopy analysis, performed on nascent CNT, highlights that carbon structural organisation is significantly changing from defective graphene layers surrounding the iron-based particles at their base up to multi-walled nanotube structures in the upper part of iron-based particles. - Highlights: • Spatial co-localization of iron and carbon structures in nascent carbon nanotubes • Imaging local carbon structure changes along catalyst particles by Raman spectroscopy. • In nascent nanotubes, significant structural changes occur along catalyst particle.

  5. Nascent ventures competing for start-up capital: matching reputations and investors

    NARCIS (Netherlands)

    Ebbers, J.J.; Wijnberg, N.M.

    2012-01-01

    Although nascent ventures have not yet developed a performance-based reputation, the individual reputations of their founders, based on the performance of their earlier ventures, can function as important signals to investors. Selection system theory distinguishes between different types of

  6. A Primer on the Pathway to Scholarly Writing: Helping Nascent Writers to Unlearn Conditioned Habits

    Science.gov (United States)

    McDougall, Dennis; Ornelles, Cecily; Rao, Kavita

    2015-01-01

    In this article, we identify eight common error patterns of nascent writers when they attempt to navigate the pathway to scholarly writing. We illustrate each error pattern via examples and counter-examples (corrections). We also describe how to identify such patterns, why those patterns might occur and persist, and why each pattern is…

  7. The effect of human capital, social capital, and perceptual values on nascent entrepreneurs' export intentions

    DEFF Research Database (Denmark)

    Christensen, Poul Rind; Evald, Majbritt Rostgaard; Klyver, Kim

    2011-01-01

    This study investigates the influence of human capital, social capital, and cognition on nascent entrepreneurs' export intentions. The results indicate that while human capital and social capital influence the level of intended export, cognitive characteristics, such as self-efficacy and risk...

  8. Synthesis, structure, optical, photoluminescence and magnetic properties of K2[Co(C2O4)2(H2O)2]·4H2O

    Science.gov (United States)

    Narsimhulu, M.; Hussain, K. A.

    2018-06-01

    The synthesis, crystal structure, optical, photoluminescence and magnetic behaviour of potassium bis(oxalato)cobaltate(II)tertrahydrate{K2[Co(C2O4)2(H2O)2]·4H2O} are described. The compound was grown at room temperature from mixture of aqueous solutions by slow evaporation method. The X-ray crystallographic data showed that the compound belongs to the monoclinic crystal system with P21/n space group and Z = 4. The UV-visible diffuse absorbance spectra exhibited bands at 253, 285 and 541 nm in the visible and ultraviolet regions. The optical band gap of the compound was estimated as 3.4 eV. At room temperature, an intense photoluminescence was observed from this material around 392 nm when it excited at 254 nm. The variable temperature dc magnetic susceptibility measurements exposed paramagnetic behaviour at high temperatures and antiferromagnetic ordering at low temperatures.

  9. HIFI Spectroscopy of H2O Submillimeter Lines in Nuclei of Actively Star-forming Galaxies

    Science.gov (United States)

    Liu, L.; Weiß, A.; Perez-Beaupuits, J. P.; Güsten, R.; Liu, D.; Gao, Y.; Menten, K. M.; van der Werf, P.; Israel, F. P.; Harris, A.; Martin-Pintado, J.; Requena-Torres, M. A.; Stutzki, J.

    2017-09-01

    We present a systematic survey of multiple velocity-resolved H2O spectra using Herschel/Heterodyne Instrument for the Far Infrared (HIFI) toward nine nearby actively star-forming galaxies. The ground-state and low-excitation lines (E up ≤ 130 K) show profiles with emission and absorption blended together, while absorption-free medium-excitation lines (130 K ≤ E up ≤ 350 K) typically display line shapes similar to CO. We analyze the HIFI observation together with archival SPIRE/PACS H2O data using a state-of-the-art 3D radiative transfer code that includes the interaction between continuum and line emission. The water excitation models are combined with information on the dust and CO spectral line energy distribution to determine the physical structure of the interstellar medium (ISM). We identify two ISM components that are common to all galaxies: a warm ({T}{dust}˜ 40{--}70 K), dense (n({{H}})˜ {10}5{--}{10}6 {{cm}}-3) phase that dominates the emission of medium-excitation H2O lines. This gas phase also dominates the far-IR emission and the CO intensities for {J}{up}> 8. In addition, a cold ({T}{dust}˜ 20{--}30 K), dense (n({{H}})˜ {10}4{--}{10}5 {{cm}}-3), more extended phase is present. It outputs the emission in the low-excitation H2O lines and typically also produces the prominent line absorption features. For the two ULIRGs in our sample (Arp 220 and Mrk 231) an even hotter and more compact (R s ≤ 100 pc) region is present, which is possibly linked to AGN activity. We find that collisions dominate the water excitation in the cold gas and for lines with {E}{up}≤slant 300 K and {E}{up}≤slant 800 K in the warm and hot component, respectively. Higher-energy levels are mainly excited by IR pumping.

  10. EERE-SBIR technology transfer opportunity. H2 Safety Sensors for H2

    Energy Technology Data Exchange (ETDEWEB)

    Johnston, Mariann R. [Los Alamos National Lab. (LANL), Los Alamos, NM (United States)

    2015-12-01

    The Office of Energy Efficiency and Renewable Energy’s Fuel Cell Technologies Office (FCTO) works in partnership with industry (including small businesses), academia, and DOE's national laboratories to establish fuel cell and hydrogen energy technologies as economically competitive contributors to U.S. transportation needs. The work that is envisioned between the SBIR/STTR grantee and Los Alamos National Laboratory would involve Technical Transfer of Los Alamos Intellectual Property (IP) on Thin-film Mixed Potential Sensor (U.S. Patent 7,264,700) and associated know-how for H2 sensor manufacturing and packaging.

  11. Method for heavy-water production by H2S--H2O chemical exchange process

    International Nuclear Information System (INIS)

    Strathdee, G.G.

    1978-01-01

    The invention discloses a heavy water production stage in a bithermal H 2 S gas H 2 O liquid exchange plant wherein the cold tower is operated under temperature and pressure conditions such that H 2 S in the liquid phase is formed and is maintained in the separation units (sieve trays or plates) of the cold tower. It has been found that the presence of liquid H 2 S acts as an efficient anti-foaming agent

  12. Accurate quantum calculations of translation-rotation eigenstates in electric-dipole-coupled H2O@C60 assemblies

    Science.gov (United States)

    Felker, Peter M.; Bačić, Zlatko

    2017-09-01

    We present methodology for variational calculation of the 6 n -dimensional translation-rotation (TR) eigenstates of assemblies of n H2O@C60 moieties coupled by dipole-dipole interactions. We show that the TR Hamiltonian matrix for any n can be constructed from dipole-dipole matrix elements computed for n = 2 . We present results for linear H2O@C60 assemblies. Two classes of eigenstates are revealed. One class comprises excitations of the 111 rotational level of H2O. The lowest-energy 111 -derived eigenstate for each assembly exhibits significant dipole ordering and shifts down in energy with the assembly size.

  13. Dynamic investigation of the diffusion absorption refrigeration system NH3-H2O-H2

    Directory of Open Access Journals (Sweden)

    Mohamed Izzedine Serge Adjibade

    2017-09-01

    Full Text Available This paper reports on a numerical and experimental study of a diffusion absorption refrigerator. The performance of the system is examined by computer simulation using MATLAB software and Engineering Equations Solver. A dynamic model is developed for each component of the system and solved numerically in order to predict the transient state of the diffusion absorption refrigeration. The experiment set included 0.04 m3 commercial absorption diffusion refrigerator working with the ammonia-water-hydrogen (NH3-H2O-H2 solution. The transient numerical results were validated with the experimental data. The investigations are focused on the dynamic profile of the temperature of each component. The results obtained agree with the experiment; the relative error between numerical and experimental models doesn’t exceed 15% for all temperatures of each component. The increase of the average ambient temperature from 23.04 °C to 32.56 °C causes an increase of the condensation temperature from 29.46 °C to 37.51 °C, and the best evaporation temperature obtained was 3 °C, with an ambient temperature of 23.04 °C. The results show that a minimum starting temperature of 152 °C and 63.8 W electric power are required to initiate the decrease of evaporation temperature.

  14. Calculation of the cross section of the H2+(D2+)+Li→Li++2H(2D) charge-exchange reaction

    International Nuclear Information System (INIS)

    Voronin, A.I.; Osherov, V.I.; Poluyanov, L.V.; Ushakov, V.G.

    1983-01-01

    The method of classic trajectories with account for non-adiabatic transitions has been used to calculate Li atoms charge-exchange cross sections on H 2 + and D 2 + ions depending on collision energy and oscillatory excitation of molecular ion. Surfaces of potentil energy of nuclei interaction corresponding to essential for the chargeexchange process electron states are plotted by the diatomics-in-molecules (DIM) method. Qualitative characteristics of calculated cross sections (dependence on collision energy, oscillatory number, deuteration effect) coincide well with those obtained during the experiment. However the experimental cross section value approximately two times surpasses the theoretical one. This is connected with insufficient accuracy of the DIM method

  15. Coordination polymers of scandium sulfate. Crystal structures of (H2Bipy)[Sc(H2O)(SO4)2]2·2H2O and (H2Bipy)[HSO4]2

    International Nuclear Information System (INIS)

    Petrosyants, S.P.; Ilyukhin, A.B.

    2005-01-01

    Compounds with general formula Cat x [Sc(H 2 O) z (SO 4 ) y ]·nH 2 O (Cat=NH 4 , H 2 Bipy (Bipy - 4,4'-bipyridine), HEdp (Edp - ethylene dipyridine)) identified on element analysis data and IR spectra are synthesized. X-ray diffraction analysis of (H 2 Bipy)[Sc(H 2 O)(SO 4 ) 2 ] 2 ·2H 2 O shows that in structure of the compound chains of ScO 6 octahedron and SO 4 tetrahedrons are joined in bands by tridentate coordination of sulfate ions. Bands form skeleton in endless emptiness of which there are H 2 Bipy 2+ cations [ru

  16. H2S and polysulfide metabolism: Conventional and unconventional pathways.

    Science.gov (United States)

    Olson, Kenneth R

    2018-03-01

    It is now well established that hydrogen sulfide (H 2 S) is an effector of a wide variety of physiological processes. It is also clear that many of the effects of H 2 S are mediated through reactions with cysteine sulfur on regulatory proteins and most of these are not mediated directly by H 2 S but require prior oxidation of H 2 S and the formation of per- and polysulfides (H 2 S n , n = 2-8). Attendant with understanding the regulatory functions of H 2 S and H 2 S n is an appreciation of the mechanisms that control, i.e., both increase and decrease, their production and catabolism. Although a number of standard "conventional" pathways have been described and well characterized, novel "unconventional" pathways are continuously being identified. This review summarizes our current knowledge of both the conventional and unconventional. Copyright © 2017 Elsevier Inc. All rights reserved.

  17. Photogeneration of H2O2 in SPEEK/PVA aqueous polymer solutions.

    Science.gov (United States)

    Little, Brian K; Lockhart, PaviElle; Slaten, B L; Mills, G

    2013-05-23

    Photolysis of air-saturated aqueous solutions containing sulphonated poly(ether etherketone) and poly(vinyl alcohol) results in the generation of hydrogen peroxide. Consumption of oxygen and H2O2 formation are initially concurrent processes with a quantum yield of peroxide generation of 0.02 in stirred or unstirred solutions within the range of 7 ≤ pH ≤ 9. The results are rationalized in terms of O2 reduction by photogenerated α-hydroxy radicals of the polymeric ketone in competition with radical-radical processes that consume the macromolecular reducing agents. Generation of H2O2 is controlled by the photochemical transformation that produces the polymer radicals, which is most efficient in neutral and slightly alkaline solutions. Quenching of the excited state of the polyketone by both H3O(+) and OH(-) affect the yields of the reducing macromolecular radicals and of H2O2. Deprotonation of the α-hydroxy polymeric radicals at pH > 9 accelerate their decay and contribute to suppressing the peroxide yields in basic solutions. Maxima in [H2O2] are observed when illuminations are performed with static systems, where O2 reduction is faster than diffusion of oxygen into the solutions. Under such conditions H2O2 can compete with O2 for the reducing radicals resulting in a consumption of the peroxide.

  18. Response properties of the genetically encoded optical H2O2 sensor HyPer.

    Science.gov (United States)

    Weller, Jonathan; Kizina, Kathrin M; Can, Karolina; Bao, Guobin; Müller, Michael

    2014-11-01

    Reactive oxygen species mediate cellular signaling and neuropathologies. Hence, there is tremendous interest in monitoring (sub)cellular redox conditions. We evaluated the genetically engineered redox sensor HyPer in mouse hippocampal cell cultures. Two days after lipofection, neurons and glia showed sufficient expression levels, and H2O2 reversibly and dose-dependently increased the fluorescence ratio of cytosolic HyPer. Yet, repeated H2O2 treatment caused progressively declining responses, and with millimolar doses an apparent recovery started while H2O2 was still present. Although HyPer should be H2O2 specific, it seemingly responded also to other oxidants and altered cell-endogenous superoxide production. Control experiments with the SypHer pH sensor confirmed that the HyPer ratio responds to pH changes, decreasing with acidosis and increasing during alkalosis. Anoxia/reoxygenation evoked biphasic HyPer responses reporting apparent reduction/oxidation; replacing Cl(-) exerted only negligible effects. Mitochondria-targeted HyPer readily responded to H2O2-albeit less intensely than cytosolic HyPer. With ratiometric two-photon excitation, H2O2 increased the cytosolic HyPer ratio. Time-correlated fluorescence-lifetime imaging microscopy (FLIM) revealed a monoexponential decay of HyPer fluorescence, and H2O2 decreased fluorescence lifetimes. Dithiothreitol failed to further reduce HyPer or to induce reasonable FLIM and two-photon responses. By enabling dynamic recordings, HyPer is superior to synthetic redox-sensitive dyes. Its feasibility for two-photon excitation also enables studies in more complex preparations. Based on FLIM, quantitative analyses might be possible independent of switching excitation wavelengths. Yet, because of its pronounced pH sensitivity, adaptation to repeated oxidation, and insensitivity to reducing stimuli, HyPer responses have to be interpreted carefully. For reliable data, side-by-side pH monitoring with SypHer is essential. Copyright

  19. Ultrafast chemical interface scattering as an additional decay channel for nascent nonthermal electrons in small metal nanoparticles.

    Science.gov (United States)

    Bauer, Christophe; Abid, Jean-Pierre; Fermin, David; Girault, Hubert H

    2004-05-15

    The use of 4.2 nm gold nanoparticles wrapped in an adsorbates shell and embedded in a TiO2 metal oxide matrix gives the opportunity to investigate ultrafast electron-electron scattering dynamics in combination with electronic surface phenomena via the surface plasmon lifetimes. These gold nanoparticles (NPs) exhibit a large nonclassical broadening of the surface plasmon band, which is attributed to a chemical interface damping. The acceleration of the loss of surface plasmon phase coherence indicates that the energy and the momentum of the collective electrons can be dissipated into electronic affinity levels of adsorbates. As a result of the preparation process, gold NPs are wrapped in a shell of sulfate compounds that gives rise to a large density of interfacial molecules confined between Au and TiO2, as revealed by Fourier-transform-infrared spectroscopy. A detailed analysis of the transient absorption spectra obtained by broadband femtosecond transient absorption spectroscopy allows separating electron-electron and electron-phonon interaction. Internal thermalization times (electron-electron scattering) are determined by probing the decay of nascent nonthermal electrons (NNEs) and the build-up of the Fermi-Dirac electron distribution, giving time constants of 540 to 760 fs at 0.42 and 0.34 eV from the Fermi level, respectively. Comparison with literature data reveals that lifetimes of NNEs measured for these small gold NPs are more than four times longer than for silver NPs with similar sizes. The surprisingly long internal thermalization time is attributed to an additional decay mechanism (besides the classical e-e scattering) for the energy loss of NNEs, identified as the ultrafast chemical interface scattering process. NNEs experience an inelastic resonant scattering process into unoccupied electronic states of adsorbates, that directly act as an efficient heat bath, via the excitation of molecular vibrational modes. The two-temperature model is no longer

  20. Voiced Excitations

    National Research Council Canada - National Science Library

    Holzricher, John

    2004-01-01

    To more easily obtain a voiced excitation function for speech characterization, measurements of skin motion, tracheal tube, and vocal fold, motions were made and compared to EM sensor-glottal derived...

  1. Exciting Pools

    Science.gov (United States)

    Wright, Bradford L.

    1975-01-01

    Advocates the creation of swimming pool oscillations as part of a general investigation of mechanical oscillations. Presents the equations, procedure for deriving the slosh modes, and methods of period estimation for exciting swimming pool oscillations. (GS)

  2. XPS study on the surface reaction of uranium metal in H2 and H2-CO atmospheres

    International Nuclear Information System (INIS)

    Wang Xiaolin; Fu Yibei; Xie Renshou

    1996-04-01

    The surface reactions of uranium metal in H 2 and H 2 -CO atmospheres and the effects of temperature and CO on the hydriding reaction have been studied by X-ray photoelectron spectroscopy (XPS). The reaction between commercial H 2 and uranium metal at 25 degree C leads mainly to the further oxidation of surface layer of metal due to traces of water vapour. At 200 degree C, it may lead to the hydriding reaction of uranium and the hydriding increases with increasing the exposure of H 2 . Investigation indicates CO inhibits both the hydriding reaction and oxidation on the condition of H 2 -CO atmospheres. (13 refs., 10 figs.)

  3. 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

  4. Detectability of H2-Ar and H2-Ne Dimers in Jovian Atmospheres

    Directory of Open Access Journals (Sweden)

    Young-Key Minn

    1997-12-01

    Full Text Available The detection of jovian hydrogen-hydrogen dimers through the clear telluric 2-micron window(Kim et al. 1995, Trafton et al. 1997 suggests possibility to detect noble gases in the form of dimer with hydrogen in jovian atmospheres. Since noble gases do not have spectral structures in the infrared, it has been difficult to derive their abundances in the atmospheres of jovian planets. If there is a significant component of noble gases other than helium in the jovian atmospheres. it might be detected through its dimer spectrum with hydrogen molecule. The relatively sharp spectral structures of hydrogen-argon and hydrogen-neon dimers compared with those of hydrogen-hydrogen dimers are useful for the detection, if an adequate signal-to-noise (S/N is obtained. If we use a large telescope, such as the Keck telescope, with a long exposure time (>24 hours, then H2-Ar spectral structure may be detected.

  5. Time-resolved diode laser infrared absorption spectroscopy of the nascent HCl in the infrared laser chemistry of 1,2-dichloro-1,1-difluoroethane

    Science.gov (United States)

    Dietrich, Peter; Quack, Martin; Seyfang, George

    1990-04-01

    The IR multiphoton excitation and the frequency, fluence and intensity dependence of the IR-laser chemical yields of CF 2ClCH 2Cl have been studied in the fluence range of 1 to 10 J cm -2 yielding a steady-state constant k(st)/ I=0.74×10 6 s -1 MW -1 cm 2 which is approximately independent of intensity. Time-resolved IR absorption spectroscopy with diode laser sources has been used to observe the nascent HCl during the first few 100 ns indicating a population inversion between the levels ν=1, J=4 and ν=2, J=5. At low reactant pressures ( p⩽10 Pa) the time-resolved measurement gives a steady-state rate constant consistent with the theoretical result adjusted to the static yield measurements. The capability of state-selective and time-resolved IR spectroscopy is thus demonstrated, giving real-time determinations of rate constants.

  6. Synthesis and crystal structure of hydrogen phosphites RbH2PO3, CsH2PO3, and TlH2PO3

    International Nuclear Information System (INIS)

    Kosterina, E.V.; Troyanov, S.I.; Kemnits, Eh.; Aslanov, L.A.

    2001-01-01

    The crystal acid phosphites RbH 2 PO 3 , CsH 2 PO 3 and TlH 2 PO 3 were separated during reaction of Rb, Cs and Tl carbonates with phosphorous acid solution. The crystal structure of the compounds was analyzed by X-ray diffraction method at 150 K. CsH 2 PO 3 has a monoclinic system, a = 7.930(2), b = 8.929(2), c = 13.163(3) A, β = 104.84(3) Deg, V = 900.9(4) A 3 , Z 8, sp. gr. P2 1 /c, R 1 = 0.239. In the structure hydrogen bonds integrate the PHO 3 tetrahedrons in the unlimited zigzag chains [HPHO 3 ] n n- laying at the layers, which are alternate to the layers of metal cations. The layers of anion chains have a wavy form [ru

  7. Untersuchungen am System NMMO/H2O/Cellulose

    OpenAIRE

    Cibik, T.

    2003-01-01

    Die vorliegende Arbeit befasst sich mit der Untersuchung des Zweistoffsystems N-Methylmorpholin-N-oxid (NMMO)/H2O und des Dreistoffsystems NMMO/H2O/Cellulose sowie mit der Herstellung und Charakterisierung von faserverstärkten Cellulosefolien. Das binäre System wird mittels Dynamischer Differenzkalorimetrie und Röntgenweitwinkel-Diffraktometrie untersucht und dadurch das Schmelzverhalten und die Phasenzusammensetzung dieses Systems im festen Zustand als Funktion des NMMO/H2O-Verhältnisses bes...

  8. Detonability of H2-air-diluent mixtures

    International Nuclear Information System (INIS)

    Tieszen, S.R.; Sherman, M.P.; Benedick, W.B.; Berman, M.

    1987-06-01

    This report describes the Heated Detonation Tube (HDT). Detonation cell width and velocity results are presented for H 2 -air mixtures, undiluted and diluted with CO 2 and H 2 O for a range of H 2 concentration, initial temperature and pressure. The results show that the addition of either CO 2 or H 2 O significantly increases the detonation cell width and hence reduces the detonability of the mixture. The results also show that the detonation cell width is reduced (detonability is increased) for increased initial temperature and/or pressure

  9. Atomic and molecular data for H2O, CO and CO2 relevant to edge plasma impurities

    International Nuclear Information System (INIS)

    Tawara, Hiro.

    1992-10-01

    The present status of atomic and molecular data under electron impact involving the most relevant plasma impurity species (H 2 O, CO and CO 2 ) has been surveyed and some data have been compiled and evaluated. The emphasis is the cross sections for ionization, dissociation, excitation, photon emission and recombination processes. (author)

  10. Theoretical Investigations of CO 2 and H 2 Sorption in an Interpenetrated Square-Pillared Metal–Organic Material

    KAUST Repository

    Pham, Tony

    2013-05-16

    Simulations of CO2 and H2 sorption and separation were performed in [Cu(dpa)2SiF6-i], a metal-organic material (MOM) consisting of an interpenetrated square grid of Cu2+ ions coordinated to 4,4′-dipyridylacetylene (dpa) rings and pillars of SiF6 2- ions. This class of water stable MOMs shows great promise in practical gas sorption/separation with especially high selectivity for CO2 and variable selectivity for other energy related gases. Simulated CO2 sorption isotherms and isosteric heats of adsorption, Qst, at ambient temperatures were in excellent agreement with the experimental measurements at all pressures considered. Further, it was observed that the Qst for CO2 increases as a function of uptake in [Cu(dpa)2SiF6-i]. This suggests that nascently sorbed CO2 molecules within a channel contribute to a more energetically favorable site for additional CO2 molecules, i.e., in stark contrast to typical behavior, sorbate intermolecular interactions enhance sorption energetics with increased loading. The simulated structure at CO2 saturation shows a loading with tight packing of 8 CO2 molecules per unit cell. The CO2 molecules can be seen alternating between a vertical and horizontal alignment within a channel, with each CO2 molecule coordinating to an equatorial fluorine MOM atom. Calculated H 2 sorption isotherms and Qst values were also in good agreement with the experimental measurements in [Cu(dpa)2SiF 6-i]. H2 saturation corresponds to 10 H2 molecules per unit cell for the studied structure. Moreover, there were two observed binding sites for hydrogen sorption in [Cu(dpa)2SiF 6-i]. Simulations of a 30:70 CO2/H2 mixture, typical of syngas, in [Cu(dpa)2SiF6-i] showed that the MOM exhibited a high uptake and selectivity for CO2. In addition, it was observed that the presence of H2O had a negligible effect on the CO2 uptake and selectivity in [Cu(dpa)2SiF6-i], as simulations of a mixture containing CO2, H2, and small amounts of CO, N2, and H2O produced comparable

  11. NASCENT: an automatic protein interaction network generation tool for non-model organisms.

    Science.gov (United States)

    Banky, Daniel; Ordog, Rafael; Grolmusz, Vince

    2009-04-24

    Large quantity of reliable protein interaction data are available for model organisms in public depositories (e.g., MINT, DIP, HPRD, INTERACT). Most data correspond to experiments with the proteins of Saccharomyces cerevisiae, Drosophila melanogaster, Homo sapiens, Caenorhabditis elegans, Escherichia coli and Mus musculus. For other important organisms the data availability is poor or non-existent. Here we present NASCENT, a completely automatic web-based tool and also a downloadable Java program, capable of modeling and generating protein interaction networks even for non-model organisms. The tool performs protein interaction network modeling through gene-name mapping, and outputs the resulting network in graphical form and also in computer-readable graph-forms, directly applicable by popular network modeling software. http://nascent.pitgroup.org.

  12. Site-specific fluorescent labeling of nascent proteins on the translating ribosome.

    Science.gov (United States)

    Saraogi, Ishu; Zhang, Dawei; Chandrasekaran, Sandhya; Shan, Shu-ou

    2011-09-28

    As newly synthesized proteins emerge from the ribosome, they interact with a variety of cotranslational cellular machineries that facilitate their proper folding, maturation, and localization. These interactions are essential for proper function of the cell, and the ability to study these events is crucial to understanding cellular protein biogenesis. To this end, we have developed a highly efficient method to generate ribosome-nascent chain complexes (RNCs) site-specifically labeled with a fluorescent dye on the nascent polypeptide. The fluorescent RNC provides real-time, quantitative information on its cotranslational interaction with the signal recognition particle and will be a valuable tool in elucidating the role of the translating ribosome in numerous biochemical pathways.

  13. Learning Entrepreneurial Leadership among Nascent Food Entrepreneurs in Denmark and New Zealand

    DEFF Research Database (Denmark)

    Ramsgaard, Michael Breum; Warren, Lorraine

    This paper examines the process of learning entrepreneurial leadership in small food businesses in the early stages. It draws on the growing body of research around entrepreneurial leadership that deals with leadership in ventures but overlooks the importance of entrepreneurial leadership...... in the nascent phases. We analyse the factors constituting the processes of learning entrepreneurial leadership among nascent food entrepreneurs. The primary source of data derives from four in-depth interviews in each country with founders of SME food businesses with no more than 5 years of company history....... Further we discuss whether regional differences in the conception of entrepreneurial leadership can be identified through comparison between qualitative data from Denmark and New Zealand....

  14. Relative importance of H2 and H2S as energy sources for primary production in geothermal springs.

    Science.gov (United States)

    D'Imperio, Seth; Lehr, Corinne R; Oduro, Harry; Druschel, Greg; Kühl, Michael; McDermott, Timothy R

    2008-09-01

    Geothermal waters contain numerous potential electron donors capable of supporting chemolithotrophy-based primary production. Thermodynamic predictions of energy yields for specific electron donor and acceptor pairs in such systems are available, although direct assessments of these predictions are rare. This study assessed the relative importance of dissolved H(2) and H(2)S as energy sources for the support of chemolithotrophic metabolism in an acidic geothermal spring in Yellowstone National Park. H(2)S and H(2) concentration gradients were observed in the outflow channel, and vertical H(2)S and O(2) gradients were evident within the microbial mat. H(2)S levels and microbial consumption rates were approximately three orders of magnitude greater than those of H(2). Hydrogenobaculum-like organisms dominated the bacterial component of the microbial community, and isolates representing three distinct 16S rRNA gene phylotypes (phylotype = 100% identity) were isolated and characterized. Within a phylotype, O(2) requirements varied, as did energy source utilization: some isolates could grow only with H(2)S, some only with H(2), while others could utilize either as an energy source. These metabolic phenotypes were consistent with in situ geochemical conditions measured using aqueous chemical analysis and in-field measurements made by using gas chromatography and microelectrodes. Pure-culture experiments with an isolate that could utilize H(2)S and H(2) and that represented the dominant phylotype (70% of the PCR clones) showed that H(2)S and H(2) were used simultaneously, without evidence of induction or catabolite repression, and at relative rate differences comparable to those measured in ex situ field assays. Under in situ-relevant concentrations, growth of this isolate with H(2)S was better than that with H(2). The major conclusions drawn from this study are that phylogeny may not necessarily be reliable for predicting physiology and that H(2)S can dominate over H(2

  15. Initial capital structure of portuguese innovative firms : the role of nascent entrepreneurs' human capital

    OpenAIRE

    Couto, Eduardo; Bilau, José

    2011-01-01

    The aim of this study is to analyse whether the human capital of the nascent entrepreneur influences the initial capital structure of Portuguese innovative firms. The research model used includes a dependent binary variable devised to check the initial capital structure, two groups of independent variables referring to the human capital and a group of control variables. The results obtained through logistic regression show that "heterogeneity of professional experience" positively influences ...

  16. (Solid + liquid) phase equilibria of (Ca(H2PO2)2 + CaCl2 + H2O) and (Ca(H2PO2)2 + NaH2PO2 + H2O) ternary systems at T = 323.15 K

    International Nuclear Information System (INIS)

    Cao, Hong-yu; Zhou, Huan; Bai, Xiao-qin; Ma, Ruo-xin; Tan, Li-na; Wang, Jun-min

    2016-01-01

    Graphical abstract: Solubility diagram of the (Ca(H 2 PO 2 ) 2 + NaH 2 PO 2 + H 2 O) system at T = (323.15 and 298.15) K. - Highlights: • Phase diagrams of Ca 2+ -H 2 PO 2 − -Cl − -H 2 O, Ca 2+ -Na + -H 2 PO 2 − -H 2 O at 323.15 K were obtained. • Incompatible double salt of NaCa(H 2 PO 2 ) 3 in Ca 2+ -Na + -H 2 PO 2 − -H 2 O system was determined. • Density diagram of the corresponding liquid were simultaneously measured. - Abstract: Calcium hypophosphite has been widely used as an anti-corrosive agent, flame retardant, fertilizer, assistant for Ni electroless plating, and animal nutritional supplement. High purity calcium hypophosphite can be synthesized via the replacement reaction of sodium hypophosphite and calcium chloride. In this work, the (solid + liquid) phase equilibria of (Ca(H 2 PO 2 ) 2 + CaCl 2 + H 2 O) and (Ca(H 2 PO 2 ) 2 + NaH 2 PO 2 + H 2 O) ternary systems at T = 323.15 K were studied experimentally via the classical isothermal solubility equilibrium method, and the phase diagrams for these two systems were obtained. It was found that two solid salts of CaCl 2 ·2H 2 O and Ca(H 2 PO 2 ) 2 exist in the (Ca(H 2 PO 2 ) 2 + CaCl 2 + H 2 O) system, and three salts of Ca(H 2 PO 2 ) 2 , NaH 2 PO 2 ·H 2 O and one incompatible double salt, NaCa(H 2 PO 2 ) 3 occur in the (Ca(H 2 PO 2 ) 2 + NaH 2 PO 2 + H 2 O) system.

  17. CFD Recombiner Modelling and Validation on the H2-Par and Kali-H2 Experiments

    International Nuclear Information System (INIS)

    Mimouni, S.; Mechitoua, N.; Ouraou, M.

    2011-01-01

    A large amount of Hydrogen gas is expected to be released within the dry containment of a pressurized water reactor (PWR), shortly after the hypothetical beginning of a severe accident leading to the melting of the core. According to local gas concentrations, the gaseous mixture of hydrogen, air and steam can reach the flammability limit, threatening the containment integrity. In order to prevent mechanical loads resulting from a possible conflagration of the gas mixture, French and German reactor containments are equipped with passive autocatalytic recombiners (PARs) which preventively oxidize hydrogen for concentrations lower than that of the flammability limit. The objective of the paper is to present numerical assessments of the recombiner models implemented in CFD solvers NEPTUNE C FD and Code S aturne. Under the EDF/EPRI agreement, CEA has been committed to perform 42 tests of PARs. The experimental program named KALI-H 2 , consists checking the performance and behaviour of PAR. Unrealistic values for the gas temperature are calculated if the conjugate heat transfer and the wall steam condensation are not taken into account. The combined effects of these models give a good agreement between computational results and experimental data

  18. Accelerating Palladium Nanowire H2 Sensors Using Engineered Nanofiltration.

    Science.gov (United States)

    Koo, Won-Tae; Qiao, Shaopeng; Ogata, Alana F; Jha, Gaurav; Jang, Ji-Soo; Chen, Vivian T; Kim, Il-Doo; Penner, Reginald M

    2017-09-26

    The oxygen, O 2 , in air interferes with the detection of H 2 by palladium (Pd)-based H 2 sensors, including Pd nanowires (NWs), depressing the sensitivity and retarding the response/recovery speed in air-relative to N 2 or Ar. Here, we describe the preparation of H 2 sensors in which a nanofiltration layer consisting of a Zn metal-organic framework (MOF) is assembled onto Pd NWs. Polyhedron particles of Zn-based zeolite imidazole framework (ZIF-8) were synthesized on lithographically patterned Pd NWs, leading to the creation of ZIF-8/Pd NW bilayered H 2 sensors. The ZIF-8 filter has many micropores (0.34 nm for gas diffusion) which allows for the predominant penetration of hydrogen molecules with a kinetic diameter of 0.289 nm, whereas relatively larger gas molecules including oxygen (0.345 nm) and nitrogen (0.364 nm) in air are effectively screened, resulting in superior hydrogen sensing properties. Very importantly, the Pd NWs filtered by ZIF-8 membrane (Pd NWs@ZIF-8) reduced the H 2 response amplitude slightly (ΔR/R 0 = 3.5% to 1% of H 2 versus 5.9% for Pd NWs) and showed 20-fold faster recovery (7 s to 1% of H 2 ) and response (10 s to 1% of H 2 ) speed compared to that of pristine Pd NWs (164 s for response and 229 s for recovery to 1% of H 2 ). These outstanding results, which are mainly attributed to the molecular sieving and acceleration effect of ZIF-8 covered on Pd NWs, rank highest in H 2 sensing speed among room-temperature Pd-based H 2 sensors.

  19. Excited fermions

    International Nuclear Information System (INIS)

    Boudjema, F.; Djouadi, A.; Kneur, J.L.

    1992-01-01

    The production of excited fermions with mass above 100 GeV is considered. f→Vf (1) decay widths are calculated where V=γ, Z or W. Excited fermion pair production in e + e - annihilation and in γγ collisions, and single production in e + e - annihilation, eγ and γγ collisions is also discussed. Cross sections are calculated for all these cases. The discovery potential of the NLC at 500 GeV is compared with that of other colliders. (K.A.) 15 refs., 5 figs., 2 tabs

  20. Nascent-Seq reveals novel features of mouse circadian transcriptional regulation

    Science.gov (United States)

    Menet, Jerome S; Rodriguez, Joseph; Abruzzi, Katharine C; Rosbash, Michael

    2012-01-01

    A substantial fraction of the metazoan transcriptome undergoes circadian oscillations in many cells and tissues. Based on the transcription feedback loops important for circadian timekeeping, it is commonly assumed that this mRNA cycling reflects widespread transcriptional regulation. To address this issue, we directly measured the circadian dynamics of mouse liver transcription using Nascent-Seq (genome-wide sequencing of nascent RNA). Although many genes are rhythmically transcribed, many rhythmic mRNAs manifest poor transcriptional rhythms, indicating a prominent contribution of post-transcriptional regulation to circadian mRNA expression. This analysis of rhythmic transcription also showed that the rhythmic DNA binding profile of the transcription factors CLOCK and BMAL1 does not determine the transcriptional phase of most target genes. This likely reflects gene-specific collaborations of CLK:BMAL1 with other transcription factors. These insights from Nascent-Seq indicate that it should have broad applicability to many other gene expression regulatory issues. DOI: http://dx.doi.org/10.7554/eLife.00011.001 PMID:23150795

  1. Elastic coupling of nascent apCAM adhesions to flowing actin networks.

    Science.gov (United States)

    Mejean, Cecile O; Schaefer, Andrew W; Buck, Kenneth B; Kress, Holger; Shundrovsky, Alla; Merrill, Jason W; Dufresne, Eric R; Forscher, Paul

    2013-01-01

    Adhesions are multi-molecular complexes that transmit forces generated by a cell's acto-myosin networks to external substrates. While the physical properties of some of the individual components of adhesions have been carefully characterized, the mechanics of the coupling between the cytoskeleton and the adhesion site as a whole are just beginning to be revealed. We characterized the mechanics of nascent adhesions mediated by the immunoglobulin-family cell adhesion molecule apCAM, which is known to interact with actin filaments. Using simultaneous visualization of actin flow and quantification of forces transmitted to apCAM-coated beads restrained with an optical trap, we found that adhesions are dynamic structures capable of transmitting a wide range of forces. For forces in the picoNewton scale, the nascent adhesions' mechanical properties are dominated by an elastic structure which can be reversibly deformed by up to 1 µm. Large reversible deformations rule out an interface between substrate and cytoskeleton that is dominated by a number of stiff molecular springs in parallel, and favor a compliant cross-linked network. Such a compliant structure may increase the lifetime of a nascent adhesion, facilitating signaling and reinforcement.

  2. Elastic coupling of nascent apCAM adhesions to flowing actin networks.

    Directory of Open Access Journals (Sweden)

    Cecile O Mejean

    Full Text Available Adhesions are multi-molecular complexes that transmit forces generated by a cell's acto-myosin networks to external substrates. While the physical properties of some of the individual components of adhesions have been carefully characterized, the mechanics of the coupling between the cytoskeleton and the adhesion site as a whole are just beginning to be revealed. We characterized the mechanics of nascent adhesions mediated by the immunoglobulin-family cell adhesion molecule apCAM, which is known to interact with actin filaments. Using simultaneous visualization of actin flow and quantification of forces transmitted to apCAM-coated beads restrained with an optical trap, we found that adhesions are dynamic structures capable of transmitting a wide range of forces. For forces in the picoNewton scale, the nascent adhesions' mechanical properties are dominated by an elastic structure which can be reversibly deformed by up to 1 µm. Large reversible deformations rule out an interface between substrate and cytoskeleton that is dominated by a number of stiff molecular springs in parallel, and favor a compliant cross-linked network. Such a compliant structure may increase the lifetime of a nascent adhesion, facilitating signaling and reinforcement.

  3. Nascent chromatin capture proteomics determines chromatin dynamics during DNA replication and identifies unknown fork components

    DEFF Research Database (Denmark)

    Alabert, Constance; Bukowski-Wills, Jimi-Carlo; Lee, Sung-Po

    2014-01-01

    To maintain genome function and stability, DNA sequence and its organization into chromatin must be duplicated during cell division. Understanding how entire chromosomes are copied remains a major challenge. Here, we use nascent chromatin capture (NCC) to profile chromatin proteome dynamics during...... replication in human cells. NCC relies on biotin-dUTP labelling of replicating DNA, affinity purification and quantitative proteomics. Comparing nascent chromatin with mature post-replicative chromatin, we provide association dynamics for 3,995 proteins. The replication machinery and 485 chromatin factors...... such as CAF-1, DNMT1 and SUV39h1 are enriched in nascent chromatin, whereas 170 factors including histone H1, DNMT3, MBD1-3 and PRC1 show delayed association. This correlates with H4K5K12diAc removal and H3K9me1 accumulation, whereas H3K27me3 and H3K9me3 remain unchanged. Finally, we combine NCC enrichment...

  4. Self-Driven Photoelectrochemical Splitting of H2S for S and H2 Recovery and Simultaneous Electricity Generation.

    Science.gov (United States)

    Luo, Tao; Bai, Jing; Li, Jinhua; Zeng, Qingyi; Ji, Youzhi; Qiao, Li; Li, Xiaoyan; Zhou, Baoxue

    2017-11-07

    A novel, facile self-driven photoelectrocatalytic (PEC) system was established for highly selective and efficient recovery of H 2 S and simultaneous electricity production. The key ideas were the self-bias function between a WO 3 photoanode and a Si/PVC photocathode due to their mismatched Fermi levels and the special cyclic redox reaction mechanism of I - /I 3 - . Under solar light, the system facilitated the separation of holes in the photoanode and electrons in the photocathode, which then generated electricity. Cyclic redox reactions were produced in the photoanode region as follows: I - was transformed into I 3 - by photoholes or hydroxyl radicals, H 2 S was oxidized to S by I 3 - , and I 3 - was then reduced to I - . Meanwhile, H + was efficiently converted to H 2 in the photocathode region. In the system, H 2 S was uniquely oxidized to sulfur but not to polysulfide (S x n- ) because of the mild oxidation capacity of I 3 - . High recovery rates for S and H 2 were obtained up to ∼1.04 mg h -1 cm -1 and ∼0.75 mL h -1 cm -1 , respectively, suggesting that H 2 S was completely converted into H 2 and S. In addition, the output power density of the system reached ∼0.11 mW cm -2 . The proposed PEC-H 2 S system provides a self-sustaining, energy-saving method for simultaneous H 2 S treatment and energy recovery.

  5. A model for radiolysis of water and aqueous solutions of H2, H2O2 and O2

    International Nuclear Information System (INIS)

    Ershov, B.G.; Gordeev, A.V.

    2008-01-01

    Kinetic model for the radiolysis of pure water describing the formation of H 2 , H 2 O 2 and O 2 and the radiation chemical transformations of aqueous solutions containing these compounds over a broad range of concentrations, pH, absorbed doses and dose rates is proposed and substantiated. The model includes a set of chemical reactions with optimized rate constants and the radiation chemical yields of radiolysis products. The model applicability to the description of the whole set of data on the radiation chemical transformations of water and aqueous solutions of H 2 , H 2 O 2 and O 2 is demonstrated

  6. Endogenous mitigation of H2S inside of the landfills.

    Science.gov (United States)

    Fang, Yuan; Zhong, Zhong; Shen, Dongsheng; Du, Yao; Xu, Jing; Long, Yuyang

    2016-02-01

    Vast quantities of hydrogen sulfide (H2S) emitted from landfill sites require urgent disposal. The current study focused on source control and examined the migration and conversion behavior of sulfur compounds in two lab-scale simulated landfills with different operation modes. It aimed to explore the possible strategies and mechanisms for H2S endogenous mitigation inside of landfills during decomposition. It was found that the strength of H2S emissions from the landfill sites was dependent on the municipal solid waste (MSW) degradation speed and vertical distribution of sulfide. Leachate recirculation can shorten both the H2S influence period and pollution risk to the surrounding environment. H2S endogenous mitigation may be achieved by chemical oxidation, biological oxidation, adsorption, and/or precipitation in different stages. Migration and conversion mainly affected H2S release behavior during the initial stabilization phase in the landfill. Microbial activities related to sulfur, nitrogen, and iron can further promote H2S endogenous mitigation during the high reducing phase. Thus, H2S endogenous mitigation can be effectively enhanced via control of the aforementioned processes.

  7. H2O Formation in C-rich AGB Winds

    NARCIS (Netherlands)

    Lombaert, R.; Decin, L.; Royer, P.; de Koter, A.; Cox, N.L.J.; De Ridder, J.; Khouri, T.; Agúndez, M.; Blommaert, J.A.D.L.; Gernicharo, J.; González-Alfonso, E.; Groenewegen, M.A.T.; Kerschbaum, F.; Neufeld, D.; Vandenbussche, B.; Waelkens, C.

    2015-01-01

    The Herschel detection of warm H2O vapor emission from C-rich winds of AGB stars challenges the current understanding of circumstellar chemistry. Two mechanisms have been invoked to explain warm H2O formation. In the first, penetration of UV interstellar radiation through a clumpy circumstellar

  8. TETRACHLORO ZINCATE (II) [H2pymo][ZnCl4

    African Journals Online (AJOL)

    assembly of a hexa-palladium bowl-shaped cluster, ... mimic the properties of conventional porous solids. A number of ... mg (2 mmol) of [H2pymo]Cl were ground ... Figure 2: The anion environment in the structure of [H2pymo]2[ZnCl4]. Figure ...

  9. Robust H2 performance for sampled-data systems

    DEFF Research Database (Denmark)

    Rank, Mike Lind

    1997-01-01

    Robust H2 performance conditions under structured uncertainty, analogous to well known methods for H∞ performance, have recently emerged in both discrete and continuous-time. This paper considers the extension into uncertain sampled-data systems, taking into account inter-sample behavior. Convex...... conditions for robust H2 performance are derived for different uncertainty sets...

  10. 45 CFR 1626.11 - H-2 agricultural workers.

    Science.gov (United States)

    2010-10-01

    ...) Other employment rights as provided in the worker's specific contract under which the nonimmigrant... 45 Public Welfare 4 2010-10-01 2010-10-01 false H-2 agricultural workers. 1626.11 Section 1626.11... ON LEGAL ASSISTANCE TO ALIENS § 1626.11 H-2 agricultural workers. (a) Nonimmigrant agricultural...

  11. Charge transfer in H2+-H(1s) collisions

    International Nuclear Information System (INIS)

    Errea, L.F.; Macias, A.; Mendez, L.; Rabadan, I.; Riera, A.

    2005-01-01

    We present an ab initio study of H 2 + +H(1s) collisions at H 2 + impact energies between 0.4 and 50keV. Cross sections are obtained within the sudden approximation for rotation and vibration of the diatomic molecule. We have found that anisotropy effects are crucial to correctly describe this system in this energy range

  12. The Role of Endogenous H(2)S in Cardiovascular Physiology

    DEFF Research Database (Denmark)

    Skovgaard, Nini; Gouliaev, Anja; Aalling, Mathilde

    2011-01-01

    Recent research has shown that the endogenous gas hydrogen sulphide (H(2)S) is a signalling molecule of considerable biological potential and has been suggested to be involved in a vast number of physiological processes. In the vascular system, H(2)S is synthesized from cysteine by cystathionine-...

  13. H2, CO, and dust absorption through cold molecular clouds

    Science.gov (United States)

    Lacy, John H.; Sneden, Chris; Kim, Hwihyun; Jaffe, Daniel Thomas

    2017-06-01

    We have made observations with IGRINS on the Harlan J. Smith telescope at McDonald Observatory of near-infrared absorption by H2, CO, and dust toward stars behind molecular clouds, primarily the TMC. Prior to these observations, the abundance of H2 in molecular clouds, relative to the commonly used tracer CO, had only been measured toward a few embedded stars, which may be surrounded by atypical gas. The new observations provide a representative sample of these molecules in cold molecular gas. We find N(H2)/Av ~ 0.9e+21, N(CO)/Av ~ 1.6e+17, and H2/CO ~ 6000. The measured H2/CO ratio is consistent with that measured toward embedded stars in various molecular clouds, but half that derived from mm-wave observations of CO emission and star counts or other determinations of Av.

  14. Chemical absorption of H2S for biogas purification

    Directory of Open Access Journals (Sweden)

    Horikawa M.S.

    2004-01-01

    Full Text Available This work presents an experimental study of purification of a biogas by removal of its hydrogen sulphide (H2S content. The H2S was removed by means of chemical absorption in an iron-chelated solution catalyzed by Fe/EDTA, which converts H2S into elemental sulphur (S. Preparation of the catalyst solution and the results of biogas component absorption in the catalyst solution (0.2 mol/L are presented. These results are compared with those for physical absorption into pure water under similar conditions. Experimental results demonstrate that, under the same experimental conditions, a higher percentage of H2S can be removed in the catalytic solution than in water. In a continuous counter current using adequate flow-rate phases contact at room temperature and low gas pressure, the results demonstrate that is possible to totally remove the H2S from the biogas with the prepared catalytic solution.

  15. Influence of H2 reduction on lignin-based hard carbon performance in lithium ion batteries

    International Nuclear Information System (INIS)

    Chang, Zhen-zhen; Yu, Bao-jun; Wang, Cheng-yang

    2015-01-01

    ABSTRACT: Lignin as a by-product of fuel alcohol industry is used to prepare hard carbon materials by acetone extraction, stabilization in N 2 at 300 °C, carbonization in N 2 and subsequent H 2 reduction at 800 °C. The effect of H 2 reduction after carbonization process on the performances of the prepared samples is systematically studied and a simple mechanism is proposed. Excitingly, it is demonstrated that the process of H 2 reduction has a favorable influence on both structures and electrochemical performances of pyrolysis sample and an obvious improvement of capacity performance is obtained with reduction treatment. A first discharge/ charge capacity of 882.2/550.5 mA h g −1 (coulombic efficiency (CE) of 62.4%) is achieved at 0.1 C (1C = 372 mA g −1 ), and even after 200 cycles at 2 C a charge capacity of 228.8 mA h g −1 (about 92.8% retention ratio) remains and CE is above 99% during cycles for H 2 reduced sample. The fabulous electrochemical performance could be attributed to high purity of acetone-extracted lignin, low surface oxygen-containing functional groups and relatively high graphitization degree of reduction sample. In a word, both the simple pyrolysis process and excellent electrochemical performance make lignin-based hard carbon a promising anode material for high-capacity and high-stability lithium ion batteries (LIBs)

  16. Double and single ionization of He and H2 by slow protons and antiprotons

    International Nuclear Information System (INIS)

    Kimura, Mineo

    1994-01-01

    Double and single ionization of He and H 2 by proton (p) and antiproton (bar p)impact in the energy region below 50 keV was studied theoretically by using the semiclassical molecular picture. As the energy decreased, the ratio of the double- to the single-ionization cross section increased for impact and decreased for p impact for both He and H 2 . These trends are consistent with recent measurements for He. Ionization mechanisms differ distinctly for p impact and bar p impact. For p impact, the dominant mechanism for double ionization at the lower energies is sequential ladder climbing by the two electrons through various excited channels and finally into the continuum. For bar p impact, in contrast, the approaching negative charge distorts both the He and H 2 electron clouds toward the other side of the nucleus and decreases the electron binding energies. These effects enhance electron-electron interactions, increasing double ionization. For the H 2 , an effect of molecular orientation is an additional complication in determining the dynamics

  17. γ-H2AX as a biomarker of DNA damage induced by ionizing radiation in human peripheral blood lymphocytes and artificial skin

    Science.gov (United States)

    Redon, Christophe E.; Dickey, Jennifer S.; Bonner, William M.; Sedelnikova, Olga A.

    2009-04-01

    Ionizing radiation (IR) exposure is inevitable in our modern society and can lead to a variety of deleterious effects including cancer and birth defects. A reliable, reproducible and sensitive assessment of exposure to IR and the individual response to that exposure would provide much needed information for the optimal treatment of each donor examined. We have developed a diagnostic test for IR exposure based on detection of the phosphorylated form of variant histone H2AX (γ-H2AX), which occurs specifically at sites of DNA double-strand breaks (DSBs). The cell responds to a nascent DSB through the phosphorylation of thousands of H2AX molecules flanking the damaged site. This highly amplified response can be visualized as a γ-H2AX focus in the chromatin that can be detected in situ with the appropriate antibody. Here we assess the usability of γ-H2AX focus formation as a possible biodosimeter for human exposure to IR using peripheral blood lymphocytes irradiated ex vivo and three-dimensional artificial models of human skin biopsies. In both systems, the tissues were exposed to 0.2-5 Gy, doses of IR that might be realistically encountered in various scenarios such as cancer radiotherapies or accidental exposure to radiation. Since the γ-H2AX response is maximal 30 min after exposure and declines over a period of hours as the cells repair the damage, we examined the time limitations of the useful detectability of γ-H2AX foci. We report that a linear response proportional to the initial radiation dose was obtained 48 and 24 h after exposure in blood samples and skin cells respectively. Thus, detection of γ-H2AX formation to monitor DNA damage in minimally invasive blood and skin tests could be useful tools to determine radiation dose exposure and analyze its effects on humans.

  18. GaAs micromachining in the 1 H2SO4:1 H2O2:8 H2O system. From anisotropy to simulation

    Science.gov (United States)

    Tellier, C. R.

    2011-02-01

    The bulk micromachining on (010), (110) and (111)A GaAs substrates in the 1 H2SO4:1 H2O2:8 H2O system is investigated. Focus is placed on anisotropy of 3D etching shapes with a special emphasis on convex and concave undercuts which are of prime importance in the wet micromachining of mechanical structures. Etched structures exhibit curved contours and more and less rounded sidewalls showing that the anisotropy is of type 2. This anisotropy can be conveniently described by a kinematic and tensorial model. Hence, a database composed of dissolution constants is further determined from experiments. A self-elaborated simulator which works with the proposed database is used to derive theoretical 3D shapes. Simulated shapes agree well with observed shapes of microstructures. The successful simulations open up two important applications for MEMS: CAD of mask patterns and meshing of simulated shapes for FEM simulation tools.

  19. Vibrational state-resolved differential cross sections for the D + H2 → DH + H reaction

    International Nuclear Information System (INIS)

    Continetti, R.E.

    1989-11-01

    In this thesis, crossed-molecular-beams studies of the reaction D + H 2 → DH + H at collision energies of 0.53 and 1.01 eV are reported. Chapter 1 provides a survey of important experimental and theoretical studies on the dynamics of the hydrogen exchange reaction. Chapter 2 discusses the development of the excimer-laser photolysis D atom beam source that was used in these studies and preliminary experiments on the D + H 2 reaction. In Chapter 3, the differential cross section measurements are presented and compared to recent theoretical predictions. The measured differential cross sections for rotationally excited DH products showed significant deviations from recent quantum scattering calculations, in the first detailed comparison of experimental and theoretical differential cross sections. These results indicate that further work on the H 3 potential energy surface, particularly the bending potential, is in order

  20. Recombination of H+3 ions in the afterglow of a He-Ar-H2 plasma

    International Nuclear Information System (INIS)

    Glosik, J; Korolov, I; Plasil, R; Novotny, O; Kotrik, T; Hlavenka, P; Varju, J; Mikhailov, I A; Kokoouline, V; Greene, Chris H

    2008-01-01

    Recombination of H + 3 with electrons is studied in a low-temperature plasma containing He, H 2 and Ar at different He and H 2 densities. The effective plasma recombination rate is driven by binary, H + 3 + e - , and ternary, H + 3 + e - + He, processes with the rate coefficients 7.5 x 10 -8 cm 3 s -1 and 2.8 x 10 -25 cm 6 s -1 respectively at 260 K. We suggest that the ternary recombination involves formation of neutral highly excited Rydberg H 3 followed by an l-changing collision with He. The difference between recombination of para- and ortho-H + 3 is discussed. (fast track communication)

  1. Unusual H2O maser source near Herbig-Haro object number 11

    International Nuclear Information System (INIS)

    Lo, K.Y.; Morris, M.; Moran, J.M.; Haschick, A.D.

    1976-01-01

    Water emission spectra of an unusual source near Herbig-Haro (HH) 11 have been monitored over a 14-month period. Variations in the intensity and the radial velocity of the emission are noticeable on time scales as short as one day. At any given time, only one or two velocity components are present in the spectrum. The variations are such that each component appears and disappears at a fixed radial velocity, and new components appear at seemingly random velocities within a 40 km s -1 range. It is suggested that the exciting source is losing mass via a stellar wind, and that the H 2 O emission arises in the transition region between the cavity created by the stellar wind and the surrounding molecular medium. The proposed model can be tested by VLBI observations; an accurate position for the H 2 O maser source is required to determine the physical relationship between the maser source and the infrared or HH objects

  2. Fitting law for the density shift of Q(J) transitinos of H2 in H2-X (X: H2, He, N2) mixtures

    International Nuclear Information System (INIS)

    Michaut, X.; Berger, J.-P.; Sinclair, P.M.; Berger, H.

    1998-01-01

    A variety of fitting laws have been developed for the purpose of modelling broadening effects in collisional processes, but only a few have been proposed for modelling collision-induced lineshifts in molecules. We analysed accurate stimulated Raman data obtained in several H 2 -X mixtures (X: H 2 , He and N 2 ). For the first time, we show that an empirical law provides a very good representation of collisional lineshift coefficients in the range 300-1200 K and for J quantum number up to 9. (Copyright (c) 1998 Elsevier Science B.V., Amsterdam. All rights reserved.)

  3. Synthesis and physicochemical investigation of vanadium tripolyphosphate, H2VP3O10·3H2O (3)

    International Nuclear Information System (INIS)

    Lyutsko, V.A.; Romanij, T.V.

    1987-01-01

    The new compound - vanadium dihydrotripolyphosphate, H 2 VP 3 O 10 x3H 2 O of the modification III has been prepared by interaction of the metalic vanadium and orthophosphoric acid at 483 K. It has been investigated by chemical analysis, thin layer chromatography, X-ray phase analysis, infrared spectroscopy and thermal analysis

  4. A novel H2S/H2O2 fuel cell operating at the room temperature

    Energy Technology Data Exchange (ETDEWEB)

    Sanli, Ayse Elif [Gazi University (Turkey)], email: aecsanli@gmail.com; Aytac, Aylin [Department of Chemistry, Faculty of Science, Gazi University, Teknikokullar (Turkey)], email: aytaca@gazi.edu.tr

    2011-07-01

    This study concerns the oxidation mechanism of hydrogen sulfide and a fuel cell; acidic peroxide is used as the oxidant and basic hydrogen sulfide is the fuel. A solid state H2S/H2O2 stable fuel cell was produced at room temperature. A cell potential of 0.85 V was reached; this is quite remarkable in comparison to the H2S/O2 fuel cell potential of 0.85 V obtained at 850-1000 degree celsius. The hydrogen sulfide goes through an oxidation reaction in the alkaline fuel cell (H2S/H2O2 fuel cell) which opens up the possibility of using the cheaper nickel as a catalyst. As a result, the fuel cell becomes a potentially low cost technology. A further benefit from using H2S as the alkaline liquid H2S/H2O2 fuel cell, is that sulfide ions are oxidized at the anode, releasing electrons. Sulfur produced reacts with the other sulfide ions and forms disulfide and polysulfide ions in basic electrolytes (such as Black Sea water).

  5. Molecules in strong laser fields. In depth study of H2 molecule

    International Nuclear Information System (INIS)

    Awasthi, Manohar

    2009-01-01

    -threshold-ionization peaks is also demonstrated. The CI-TDSE results for H 2 are used for testing the validity of SAE approximation. In strong field physics, there are models based on the SAE approximation. Most popular are the Ammosov-Delone-Krainov (ADK) model, a molecular version of the ADK model called MO-ADK (MO stands for molecular orbital) and the strong field approximation (SFA). The validity of the second method for the solution of TDSE in SAE approximation is investigated by applying it to H 2 molecule where the exact two-electron results were already calculated using CI-TDSE. The SAE method uses density-functional-theory (DFT) for the description of field-free eigenstates and is thus abbreviated as DFT-SAE-TDSE. Since DFT is used for the calculation of field-free states, different functionals were also tested. The validity of MO-ADK model is also investigated. After establishing the DFT-SAE-TDSE method, the first excited state B 1 Σ u + of H 2 is studied over a large range of laser parameters. The effect of the closely lying excited states on ionization and excitation is studied. After successful testing of DFT-SAE-TDSE method on H 2 molecule, the results for larger molecules like N 2 , O 2 and C 2 H 2 in the DFT-SAE framework are presented. (orig.)

  6. Electron localization in fragmentation of H2 with CEP stabilized laser pulses

    International Nuclear Information System (INIS)

    Kremer, Manuel; Fischer, Bettina; Schroeter, Claus Dieter; Feuerstein, Bernold; Moshammer, Robert; Ullrich, Joachim; Rudenko, Artem; Jesus, Vitor L B de

    2009-01-01

    Fully differential data on ionization and dissociation of H 2 in ultra-short (∼ 6 fs), linearly polarized, intense (∼ 4 . 10 14 W/cm 2 ) laser pulses with stabilized carrier-envelope-phase (CEP) have been measured using a reaction microscope. Depending on the CEP of the laser pulses we see a clear asymmetry in the emission direction of the created protons. Contrary to earlier measurements by Kling et al. we observe the highest asymmetry for kinetic energy releases (proton energy) between 0-2 eV. This excludes the electron re-collision mechanism suggested in [1] as dominant excitation channel and requires another explanation.

  7. Electron scattering from H2+: Resonances in the Σ and Π symmetries

    International Nuclear Information System (INIS)

    Collins, L.A.; Schneider, B.I.; Lynch, D.L.; Noble, C.J.

    1995-01-01

    We present results of calculations for e - +H 2 + scattering in the energy regime below the first excited state for resonance symmetries Σ and Π. We employ three distinct and independent methods: close-coupling linear algebraic, effective optical potential linear algebraic, and R matrix. We report extended calculations on the 1 Π g resonance, important to dissociative recombination. We show binding of the 1 Σ g state resonance between 2.6 and 2.7 bohrs. Our 1 Σ u state results agree very well with previous calculations and reside a factor of 2 below a recent experiment

  8. Ab initio study of H + + H 2 collisions: Elastic/inelastic and charge transfer processes

    Science.gov (United States)

    Saieswari, A.; Kumar, Sanjay

    2007-12-01

    An ab initio full configuration interaction study has been undertaken to obtain the global potential energy surfaces for the ground and the first excited electronic state of the H + + H 2 system employing Dunning's cc-pVQZ basis set. Using the ab initio approach the corresponding quasi-diabatic potential energy surfaces and coupling potentials have been obtained. A time-independent quantum mechanical study has been also undertaken for both the inelastic and charge transfer processes at the experimental collision energy Ec.m. = 20.0 eV and the preliminary results show better agreement with the experimental data as compared to the earlier available theoretical studies.

  9. Extension of a He-H2 potential energy surface

    International Nuclear Information System (INIS)

    Raczkowski, A.W.; Lester, W.A. Jr.

    1977-01-01

    The CI surface of Tsapline and Kutzelnigg is extended to smaller H 2 -He separations. Defining R as the H 2 -He distance, r as the H 2 separation, and γ as the angle between them, the ab initio values are fit to a Legendre series in cosγ retaining the first three (even) terms with the coefficients given as analytic functions of R and r to facilitate semiclassical scattering computations. The fit is quantitative for 1.0 approximately r/2+1. (Auth.)

  10. Inelastic neutron scattering of H2 adsorbed in HKUST-1

    International Nuclear Information System (INIS)

    Liu, Y.; Brown, C.M.; Neumann, D.A.; Peterson, V.K.; Kepert, C.J.

    2007-01-01

    A series of inelastic neutron scattering (INS) investigations of hydrogen adsorbed in activated HKUST-1 (Cu 3 (1,3,5-benzenetricarboxylate) 2 ) result in INS spectra with rich features, even at very low loading ( 2 :Cu). The distinct inelastic features in the spectra show that there are three binding sites that are progressively populated when the H 2 loading is less than 2.0 H 2 :Cu, which is consistent with the result obtained from previous neutron powder diffraction experiments. The temperature dependence of the INS spectra reveals the relative binding enthalpies for H 2 at each site

  11. Excited baryons

    International Nuclear Information System (INIS)

    Mukhopadhyay, N.C.

    1986-01-01

    The status of the theory of the low-energy approach to hadron structure is reviewed briefly by surveying a few relevant models. A few examples of tests needed to sort out the predictions of different models pertaining to the quark-gluon structure of hadrons are discussed, and given the resulting physics objectives, a few experimental options for excited baryon research at CFBAF are suggested

  12. Excited baryons

    Energy Technology Data Exchange (ETDEWEB)

    Mukhopadhyay, N.C.

    1986-01-01

    The status of the theory of the low-energy approach to hadron structure is reviewed briefly by surveying a few relevant models. A few examples of tests needed to sort out the predictions of different models pertaining to the quark-gluon structure of hadrons are discussed, and given the resulting physics objectives, a few experimental options for excited baryon research at CFBAF are suggested. (LEW)

  13. Soliton excitation in superlattice

    International Nuclear Information System (INIS)

    Mensah, S.Y.; Allotey, F.K.A.; Mensah, N.G.; Twum, A.K.

    1995-10-01

    Excitation of soliton in superlattice has been investigated theoretically. It is noted that the soliton velocity u and the length L depend on the amplitude E 0 and that an increase in the amplitude causes soliton width L to approach zero and the velocity u to that of light V in homogeneous medium. The characteristic parameters of soliton u, L and E 0 are related by expression u/L E 0 = ed/2(h/2π) which is constant depending only on the SL period d. It is observed also that the soliton has both energy E = 8V 2 (1 - u 2 /V 2 ) -1/2 and momentum P = u/V 2 E which makes it behave as relativistic free particle with rest energy 8V 2 . Its interaction with electrons can cause the soliton electric effect in SL. (author). 27 refs

  14. H2O masers in star-forming regions

    International Nuclear Information System (INIS)

    Downes, D.

    1985-01-01

    Water vapour near star forming regions was first detected by Cheung et al. (1969) and shortly thereafter was recognised to be maser emission. In spite of this 15 year history of H 2 O observations, the problem of interpreting such strong H 2 O masers as W49 and Orion is still very acute. Not one of the models now available can explain in an unconstrained fashion why a very large maser flux can emanate from clouds of such small size. Whereas some models proposed to explain OH masers have retained their plausibility under the pressure of new observations, H 2 O models have not. The author outlines the background of the H 2 O problem, stating that the strongest of the masers discovered are still not satisfactorily explained today. (Auth.)

  15. SUBMILLIMETER-WAVE ROTATIONAL SPECTROSCOPY OF H2F+

    International Nuclear Information System (INIS)

    Fujimori, R.; Kawaguchi, K.; Amano, T.

    2011-01-01

    Five pure rotational transitions of H 2 F + generated by a discharge in an HF/H 2 /Ar mixture were observed in the range 473-774 GHz with a backward-wave oscillator based submillimeter-wave spectrometer. A simultaneous analysis of the rotational lines with 120 combination differences for the ground state derived from the infrared spectra was carried out to determine the precise molecular constants for the ground state. The rotational transition frequencies that lie below 2 THz were calculated, together with their estimated uncertainties, to facilitate future astronomical identifications. The chemistry for H 2 F + formation in interstellar space is discussed in comparison with a case for recently detected H 2 Cl + .

  16. H2S: a universal defense against antibiotics in bacteria.

    Science.gov (United States)

    Shatalin, Konstantin; Shatalina, Elena; Mironov, Alexander; Nudler, Evgeny

    2011-11-18

    Many prokaryotic species generate hydrogen sulfide (H(2)S) in their natural environments. However, the biochemistry and physiological role of this gas in nonsulfur bacteria remain largely unknown. Here we demonstrate that inactivation of putative cystathionine β-synthase, cystathionine γ-lyase, or 3-mercaptopyruvate sulfurtransferase in Bacillus anthracis, Pseudomonas aeruginosa, Staphylococcus aureus, and Escherichia coli suppresses H(2)S production, rendering these pathogens highly sensitive to a multitude of antibiotics. Exogenous H(2)S suppresses this effect. Moreover, in bacteria that normally produce H(2)S and nitric oxide, these two gases act synergistically to sustain growth. The mechanism of gas-mediated antibiotic resistance relies on mitigation of oxidative stress imposed by antibiotics.

  17. Extended Structures of Planetary Nebulae Detected in H2 Emission

    Science.gov (United States)

    Fang, Xuan; Zhang, Yong; Kwok, Sun; Hsia, Chih-Hao; Chau, Wayne; Ramos-Larios, Gerardo; Guerrero, Martín A.

    2018-06-01

    We present narrowband near-infrared images of a sample of 11 Galactic planetary nebulae (PNe) obtained in the H2 2.122 μm and Brγ 2.166 μm emission lines and the K c 2.218 μm continuum. These images were collected with the Wide-field Infrared Camera on the 3.6 m Canada–France–Hawaii Telescope (CFHT); their unprecedented depth and wide field of view allow us to find extended nebular structures in H2 emission in several PNe, some of these being the first detection. The nebular morphologies in H2 emission are studied in analogy with the optical images, and indication of stellar wind interactions is discussed. In particular, the complete structure of the highly asymmetric halo in NGC 6772 is witnessed in H2, which strongly suggests interaction with the interstellar medium. Our sample confirms the general correlation between H2 emission and the bipolarity of PNe. The knotty or filamentary fine structures of the H2 gas are resolved in the inner regions of several ring-like PNe, also confirming the previous argument that H2 emission mostly comes from knots or clumps embedded within fully ionized material at the equatorial regions. Moreover, the H2 image of the butterfly-shaped Sh 1-89, after removal of field stars, clearly reveals a tilted ring structure at the waist. These high-quality CFHT images justify follow-up detailed morphokinematic studies that are desired in order to deduce the true physical structures of a few PNe in the sample. Based on observations obtained with WIRCam, a joint project of CFHT, Taiwan, Korea, Canada, and France, at the Canada–France–Hawaii Telescope (CFHT), which is operated by the National Research Council (NRC) of Canada, the Institut National des Sciences de l’Univers of the Centre National de la Recherche Scientifique of France, and the University of Hawaii.

  18. Are CO Observations of Interstellar Clouds Tracing the H2?

    Science.gov (United States)

    Federrath, Christoph; Glover, S. C. O.; Klessen, R. S.; Mac Low, M.

    2010-01-01

    Interstellar clouds are commonly observed through the emission of rotational transitions from carbon monoxide (CO). However, the abundance ratio of CO to molecular hydrogen (H2), which is the most abundant molecule in molecular clouds is only about 10-4. This raises the important question of whether the observed CO emission is actually tracing the bulk of the gas in these clouds, and whether it can be used to derive quantities like the total mass of the cloud, the gas density distribution function, the fractal dimension, and the velocity dispersion--size relation. To evaluate the usability and accuracy of CO as a tracer for H2 gas, we generate synthetic observations of hydrodynamical models that include a detailed chemical network to follow the formation and photo-dissociation of H2 and CO. These three-dimensional models of turbulent interstellar cloud formation self-consistently follow the coupled thermal, dynamical and chemical evolution of 32 species, with a particular focus on H2 and CO (Glover et al. 2009). We find that CO primarily traces the dense gas in the clouds, however, with a significant scatter due to turbulent mixing and self-shielding of H2 and CO. The H2 probability distribution function (PDF) is well-described by a log-normal distribution. In contrast, the CO column density PDF has a strongly non-Gaussian low-density wing, not at all consistent with a log-normal distribution. Centroid velocity statistics show that CO is more intermittent than H2, leading to an overestimate of the velocity scaling exponent in the velocity dispersion--size relation. With our systematic comparison of H2 and CO data from the numerical models, we hope to provide a statistical formula to correct for the bias of CO observations. CF acknowledges financial support from a Kade Fellowship of the American Museum of Natural History.

  19. Excited state intramolecular charge transfer reaction in 4-(1 ...

    Indian Academy of Sciences (India)

    Administrator

    cal reactions to the determination of paleotempera- tures from isotopic ... ordered liquid than H2O due to stronger H-bond in- teractions in the deuterated water ... layer chromatography and monitoring the excitation wavelength dependence of ...

  20. Hydrogen degradation of the 26H2MF alloy steel in H2SO4 and hydrocarbon environments

    International Nuclear Information System (INIS)

    Zielinski, A.; Swieczko-Zurek, B.; Michaliak, P.

    2004-01-01

    The Polish 26H2M alloy steel has been subjected to different heat treatment resulting in different microstructure and fracture appearance. The slow strain rate tests have been made on smooth round specimens in diluted sulphuric acid, boiler fuel and used mineral machine oil. The 26H2MF steel has become relatively immune in neutral boiler fuel and mineral oil and been heavily suffered from hydrogen degradation in acidic environment. The results demonstrate that the 26H2MF steel is highly susceptible to hydrogen degradation but in absence of stress raisers the increased hydrogen absorption in hydrocarbons can cause only small loss of its plasticity. (author) >>>

  1. Ab initio study of MgH2 formation

    International Nuclear Information System (INIS)

    Novakovic, Nikola; Matovic, Ljiljana; Novakovic, Jasmina Grbovic; Manasijevic, Miodrag; Ivanovic, Nenad

    2009-01-01

    Even if there is considerable literature dealing with structure and properties of MgH 2 compound there are still some uncertain details about nature of bonding governing its formation and decomposition. In order to better understand the processes essential for absorption and desorption of MgH 2 , ab initio DFT based calculations of rutile MgH 2 compound, elemental hcp-Mg, and three different hypothetical hcp-Mg-derived hydrides are performed. Our findings show that all structures are unstable, and that MgH (Wurtzite) is a closest possible candidate for intermediate phase between the hcp-Mg and MgH 2 at 1:1 stoichiometry. An alternative hydration pathway is suggested, including promotion of hcp-Mg to bcc-Mg and consecutive transformation to rutile MgH 2 by means of hydrogen incorporation into Mg matrix. Rutile MgH 2 calculations with various hydrogen vacancies concentration are performed. Calculation shows that at high hydrogen concentration close to 1:2, stable substoichiometric hydride is possible. Calculation also shows that high vacancy (low hydrogen) concentration favors bcc-Mg 2 H over rutile Mg 2 H structure.

  2. H2S mediated thermal and photochemical methane activation

    Science.gov (United States)

    Baltrusaitis, Jonas; de Graaf, Coen; Broer, Ria; Patterson, Eric

    2013-01-01

    Sustainable, low temperature methods of natural gas activation are critical in addressing current and foreseeable energy and hydrocarbon feedstock needs. Large portions of natural gas resources are still too expensive to process due to their high content of hydrogen sulfide gas (H2S) in mixture with methane, CH4, altogether deemed as sub-quality or “sour” gas. We propose a unique method for activating this “sour” gas to form a mixture of sulfur-containing hydrocarbon intermediates, CH3SH and CH3SCH3, and an energy carrier, such as H2. For this purpose, we computationally investigated H2S mediated methane activation to form a reactive CH3SH species via direct photolysis of sub-quality natural gas. Photoexcitation of hydrogen sulfide in the CH4+H2S complex results in a barrier-less relaxation via a conical intersection to form a ground state CH3SH+H2 complex. The resulting CH3SH can further be heterogeneously coupled over acidic catalysts to form higher hydrocarbons while the H2 can be used as a fuel. This process is very different from a conventional thermal or radical-based processes and can be driven photolytically at low temperatures, with enhanced controllability over the process conditions currently used in industrial oxidative natural gas activation. Finally, the proposed process is CO2 neutral, as opposed to the currently industrially used methane steam reforming (SMR). PMID:24150813

  3. H2S-mediated thermal and photochemical methane activation.

    Science.gov (United States)

    Baltrusaitis, Jonas; de Graaf, Coen; Broer, Ria; Patterson, Eric V

    2013-12-02

    Sustainable, low-temperature methods for natural gas activation are critical in addressing current and foreseeable energy and hydrocarbon feedstock needs. Large portions of natural gas resources are still too expensive to process due to their high content of hydrogen sulfide gas (H2S) mixed with methane, deemed altogether as sub-quality or "sour" gas. We propose a unique method of activation to form a mixture of sulfur-containing hydrocarbon intermediates, CH3SH and CH3SCH3 , and an energy carrier such as H2. For this purpose, we investigated the H2S-mediated methane activation to form a reactive CH3SH species by means of direct photolysis of sub-quality natural gas. Photoexcitation of hydrogen sulfide in the CH4 + H2S complex resulted in a barrierless relaxation by a conical intersection to form a ground-state CH3SH + H2 complex. The resulting CH3SH could further be coupled over acidic catalysts to form higher hydrocarbons, and the resulting H2 used as a fuel. This process is very different from conventional thermal or radical-based processes and can be driven photolytically at low temperatures, with enhanced control over the conditions currently used in industrial oxidative natural gas activation. Finally, the proposed process is CO2 neutral, as opposed to the current industrial steam methane reforming (SMR). Copyright © 2013 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  4. Nascent histamine induces α-synuclein and caspase-3 on human cells

    Energy Technology Data Exchange (ETDEWEB)

    Caro-Astorga, Joaquín; Fajardo, Ignacio; Ruiz-Pérez, María Victoria; Sánchez-Jiménez, Francisca; Urdiales, José Luis, E-mail: jlurdial@uma.es

    2014-09-05

    Highlights: • Nascent histamine alters cyclin expression pattern. • Nascent histamine increases expression of α-synuclein. • Nascent histamine activates caspase-3. - Abstract: Histamine (Hia) is the most multifunctional biogenic amine. It is synthetized by histidine decarboxylase (HDC) in a reduced set of mammalian cell types. Mast cells and histaminergic neurons store Hia in specialized organelles until the amine is extruded by exocytosis; however, other immune and cancer cells are able to produce but not store Hia. The intracellular effects of Hia are still not well characterized, in spite of its physiopathological relevance. Multiple functional relationships exist among Hia metabolism/signaling elements and those of other biogenic amines, including growth-related polyamines. Previously, we obtained the first insights for an inhibitory effect of newly synthetized Hia on both growth-related polyamine biosynthesis and cell cycle progression of non-fully differentiated mammalian cells. In this work, we describe progress in this line. HEK293 cells were transfected to express active and inactive versions of GFP-human HDC fusion proteins and, after cell sorting by flow cytometry, the relative expression of a large number of proteins associated with cell signaling were measured using an antibody microarray. Experimental results were analyzed in terms of protein–protein and functional interaction networks. Expression of active HDC induced a cell cycle arrest through the alteration of the levels of several proteins such as cyclin D1, cdk6, cdk7 and cyclin A. Regulation of α-synuclein and caspase-3 was also observed. The analyses provide new clues on the molecular mechanisms underlying the regulatory effects of intracellular newly synthetized Hia on cell proliferation/survival, cell trafficking and protein turnover. This information is especially interesting for emergent and orphan immune and neuroinflammatory diseases.

  5. The ribosomal protein uL22 modulates the shape of the nascent protein exit tunnel

    DEFF Research Database (Denmark)

    Wekselman, I.; Zimmerman, E.; Davidovich, C.

    2017-01-01

    in the entrance of theribosomal exit tunnel and interferes with the progression of nas-cent chains. Commonly, resistance to erythromycin is acquiredby alterations of rRNA nucleotides that interact with the drug.Mutations in theb-hairpin of ribosomal protein uL22, which israther distal to the erythromycin binding...... to erythromycin binding pocket and increases its flexi-bility. Based on our results, we suggest a feasble mechanism thatexplains how nanscent proteins can be translated when ery-thromycin is bound to the ribosome. Furthermore, our findingssupport recent studies showing that the interactions betweenuL22...

  6. On the Response of Nascent Soot Nanostructure and Oxidative Reactivity to Photoflash Exposure

    Directory of Open Access Journals (Sweden)

    Wei Wang

    2017-07-01

    Full Text Available Soot particles are a kind of major pollutant from fuel combustion. To enrich the understanding of soot, this work focuses on investigating detailed influences of instantaneous external irradiation (conventional photoflash exposure on nanostructure as well as oxidation reactivity of nascent soot particles. By detailed soot characterizations flash can reduce the mass of soot and soot nanostructure can be reconstructed substantially without burning. After flash, the degree of soot crystallization increases while the soot reactive rate decreases and the activation energy increases. In addition, nanostructure and oxidative reactivity of soot in air and Ar after flash are different due to their different thermal conductivities.

  7. Binding of transcription termination protein nun to nascent RNA and template DNA.

    Science.gov (United States)

    Watnick, R S; Gottesman, M E

    1999-12-17

    The amino-terminal arginine-rich motif of coliphage HK022 Nun binds phage lambda nascent transcript, whereas the carboxyl-terminal domain interacts with RNA polymerase (RNAP) and blocks transcription elongation. RNA binding is inhibited by zinc (Zn2+) and stimulated by Escherichia coli NusA. To study these interactions, the Nun carboxyl terminus was extended by a cysteine residue conjugated to a photochemical cross-linker. The carboxyl terminus contacted NusA and made Zn2+-dependent intramolecular contacts. When Nun was added to a paused transcription elongation complex, it cross-linked to the DNA template. Nun may arrest transcription by anchoring RNAP to DNA.

  8. A Critical Review of Models of the H-2/H2O/Ni/SZ Electrode Kinetics

    DEFF Research Database (Denmark)

    Mogensen, Mogens Bjerg; Høgh, Jens Valdemar Thorvald; Hansen, Karin Vels

    2007-01-01

    Various models of the H-2/H2O/Ni/SZ (SZ = stabilized zirconia) electrode kinetics have been presented in the literature in order to explain the reported experimental data. However, there has been a strong tendency of using a limited set of data to "verify" a given model, disregarding other data...... sets, which do not fit the model. We have inspected some models in the literature, and problems (e.g. no quantitative model has explained the large variation in reported values of apparent activation energy of the electrode kinetics) as well as strengths of the models are discussed. We point out...... important for any realistic and useful mathematical model of the H-2/H2O/Ni/SZ electrode....

  9. Kinetics of oxidation of H2 and reduction of H2O in Ni-YSZ based solid oxide cells

    DEFF Research Database (Denmark)

    Ebbesen, Sune Dalgaard; Mogensen, Mogens Bjerg

    2012-01-01

    Reduction of H2O and oxidation of H2 was studied in a Ni-YSZ electrode supported Solid Oxide Cells produced at DTU Energy conversion (former Risø DTU). Polarisation (i-V) and electrochemical impedance spectroscopic characterisation show that the kinetics for reduction of H 2O is slower compared...... to oxidation of H2. The kinetic differences cannot be explained by the reaction mechanisms which are similar in the two cases but are rather an effect of the thermodynamics. The preliminary analysis performed in this study show that the slow kinetic for reduction is partly related to the endothermic nature...... of the reaction, cooling the active electrode, thereby leading to slower kinetics at low current densities. Likewise, the increased kinetic for oxidation was found to be related to the exothermic nature of the reaction, heating the active electrode, and thereby leading to faster kinetics. At higher current...

  10. Crystal structure of strontium osmate (8) Sr[OsO5(H2O)]x3H2O

    International Nuclear Information System (INIS)

    Nevskij, N.N; Ivanov-Ehmin, B.N.; Nevskaya, N.A.; Belov, N.V.; AN SSSR, Moscow. Inst. Kristallografii)

    1982-01-01

    Crystal structure of the Sr[OsO 5 (H 2 O)]x3H 2 O complex is studied. Rhombic P-cell has the parameters: a=6.426(1), b=7.888(1), c=14.377(5) A, Vsub(c)=729 A 3 . The R-factor equals 0.034. The coordinates of the basis atoms and isotropic temperature corrections, as well as basic interatomic distances, are determined

  11. Strong enhancement of the chemiluminescence of the Cu(II)-H2O2 system on addition of carbon nitride quantum dots, and its application to the detection of H2O2 and glucose.

    Science.gov (United States)

    Hallaj, Tooba; Amjadi, Mohammad; Song, Zhenlun; Bagheri, Robabeh

    2017-12-19

    The authors report that carbon nitride quantum dots (CN QDs) exert a strong enhancing effect on the Cu(II)/H 2 O 2 chemiluminescent system. Chemiluminescence (CL) intensity is enhanced by CN QDs by a factor of ~75, while other carbon nanomaterials have a much weaker effect. The possible mechanism of the effect was evaluated by recording fluorescence and CL spectra and by examining the effect of various radical scavengers. Emitting species was found to be excited-state CN QDs that produce green CL peaking at 515 nm. The new CL system was applied to the sensitive detection of H 2 O 2 and glucose (via glucose oxidase-catalyzed formation of H 2 O 2 ) with detection limits (3σ) of 10 nM for H 2 O 2 and 100 nM for glucose. The probe was employed for glucose determination in human plasma samples with satisfactory results. Graphical abstract The effect of carbon nitride quantum dots (CN QDs) on Cu(II)-H 2 O 2 chemiluminescence reaction was studied and the new CL system was applied for sensitive detection of glucose based on the glucose oxidase (GOx)-catalyzed formation of H 2 O 2 .

  12. Metagenomic Evidence for H2 Oxidation and H2 Production by Serpentinite-Hosted Subsurface Microbial Communities

    Science.gov (United States)

    Brazelton, William J.; Nelson, Bridget; Schrenk, Matthew O.

    2012-01-01

    Ultramafic rocks in the Earth’s mantle represent a tremendous reservoir of carbon and reducing power. Upon tectonic uplift and exposure to fluid flow, serpentinization of these materials generates copious energy, sustains abiogenic synthesis of organic molecules, and releases hydrogen gas (H2). In order to assess the potential for microbial H2 utilization fueled by serpentinization, we conducted metagenomic surveys of a marine serpentinite-hosted hydrothermal chimney (at the Lost City hydrothermal field) and two continental serpentinite-hosted alkaline seeps (at the Tablelands Ophiolite, Newfoundland). Novel [NiFe]-hydrogenase sequences were identified at both the marine and continental sites, and in both cases, phylogenetic analyses indicated aerobic, potentially autotrophic Betaproteobacteria belonging to order Burkholderiales as the most likely H2-oxidizers. Both sites also yielded metagenomic evidence for microbial H2 production catalyzed by [FeFe]-hydrogenases in anaerobic Gram-positive bacteria belonging to order Clostridiales. In addition, we present metagenomic evidence at both sites for aerobic carbon monoxide utilization and anaerobic carbon fixation via the Wood–Ljungdahl pathway. In general, our results point to H2-oxidizing Betaproteobacteria thriving in shallow, oxic–anoxic transition zones and the anaerobic Clostridia thriving in anoxic, deep subsurface habitats. These data demonstrate the feasibility of metagenomic investigations into novel subsurface habitats via surface-exposed seeps and indicate the potential for H2-powered primary production in serpentinite-hosted subsurface habitats. PMID:22232619

  13. Metagenomic evidence for h(2) oxidation and h(2) production by serpentinite-hosted subsurface microbial communities.

    Science.gov (United States)

    Brazelton, William J; Nelson, Bridget; Schrenk, Matthew O

    2012-01-01

    Ultramafic rocks in the Earth's mantle represent a tremendous reservoir of carbon and reducing power. Upon tectonic uplift and exposure to fluid flow, serpentinization of these materials generates copious energy, sustains abiogenic synthesis of organic molecules, and releases hydrogen gas (H(2)). In order to assess the potential for microbial H(2) utilization fueled by serpentinization, we conducted metagenomic surveys of a marine serpentinite-hosted hydrothermal chimney (at the Lost City hydrothermal field) and two continental serpentinite-hosted alkaline seeps (at the Tablelands Ophiolite, Newfoundland). Novel [NiFe]-hydrogenase sequences were identified at both the marine and continental sites, and in both cases, phylogenetic analyses indicated aerobic, potentially autotrophic Betaproteobacteria belonging to order Burkholderiales as the most likely H(2)-oxidizers. Both sites also yielded metagenomic evidence for microbial H(2) production catalyzed by [FeFe]-hydrogenases in anaerobic Gram-positive bacteria belonging to order Clostridiales. In addition, we present metagenomic evidence at both sites for aerobic carbon monoxide utilization and anaerobic carbon fixation via the Wood-Ljungdahl pathway. In general, our results point to H(2)-oxidizing Betaproteobacteria thriving in shallow, oxic-anoxic transition zones and the anaerobic Clostridia thriving in anoxic, deep subsurface habitats. These data demonstrate the feasibility of metagenomic investigations into novel subsurface habitats via surface-exposed seeps and indicate the potential for H(2)-powered primary production in serpentinite-hosted subsurface habitats.

  14. Metagenomic evidence for H2 oxidation and H2 production by serpentinite-hosted subsurface microbial communities

    Directory of Open Access Journals (Sweden)

    William J Brazelton

    2012-01-01

    Full Text Available Ultramafic rocks in the Earth’s mantle represent a tremendous reservoir of carbon and reducing power. Upon tectonic uplift and exposure to fluid flow, serpentinization of these materials generates copious energy, sustains abiogenic synthesis of organic molecules, and releases hydrogen gas (H2. In order to assess the potential for microbial H2 utilization fueled by serpentinization, we conducted metagenomic surveys of a marine serpentinite-hosted hydrothermal chimney (at the Lost City hydrothermal field and two continental serpentinite- hosted alkaline seeps (at the Tablelands Ophiolite, Newfoundland. Novel [NiFe]-hydrogenase sequences were identified at both the marine and continental sites, and in both cases, phylogenetic analyses indicated aerobic, potentially autotrophic Betaproteobacteria belonging to order Burkholderiales as the most likely H2-oxidizers. Both sites also yielded metagenomic evidence for microbial H2 production catalyzed by [FeFe]-hydrogenases in anaerobic Gram- positive bacteria belonging to order Clostridiales. In addition, we present metagenomic evidence at both sites for aerobic carbon monoxide utilization and anaerobic carbon fixation via the Wood-Ljungdahl pathway. In general, our results point to H2-oxidizing Betaproteobacteria thriving in shallow, oxic-anoxic transition zones and the anaerobic Clostridia thriving in anoxic, deep subsurface habitats. These data demonstrate the feasibility of metagenomic investigations into novel subsurface habitats via surface-exposed seeps and indicate the potential for H2- powered primary production in serpentinite-hosted subsurface habitats.

  15. A quantum dynamical study of the rotation of the dihydrogen ligand in the Fe(H)2(H2)(PEtPh2)3 coordination complex

    Science.gov (United States)

    Gonzalez, Megan E.; Eckert, Juergen; Aquino, Adelia J. A.; Poirier, Bill

    2018-04-01

    Progress in the hydrogen fuel field requires a clear understanding and characterization of how materials of interest interact with hydrogen. Due to the inherently quantum mechanical nature of hydrogen nuclei, any theoretical studies of these systems must be treated quantum dynamically. One class of material that has been examined in this context are dihydrogen complexes. Since their discovery by Kubas in 1984, many such complexes have been studied both experimentally and theoretically. This particular study examines the rotational dynamics of the dihydrogen ligand in the Fe(H)2(H2)(PEtPh2)3 complex, allowing for full motion in both the rotational degrees of freedom and treating the quantum dynamics (QD) explicitly. A "gas-phase" global potential energy surface is first constructed using density functional theory with the Becke, 3-parameter, Lee-Yang-Parr functional; this is followed by an exact QD calculation of the corresponding rotation/libration states. The results provide insight into the dynamical correlation of the two rotation angles as well as a comprehensive analysis of both ground- and excited-state librational tunneling splittings. The latter was computed to be 6.914 cm-1—in excellent agreement with the experimental value of 6.4 cm-1. This work represents the first full-dimensional ab initio exact QD calculation ever performed for dihydrogen ligand rotation in a coordination complex.

  16. Investigation of the Na2(H2PO2)2 - Ba(H2PO2)2 - H2O Water-Salt Ternary System at Room Temperature

    OpenAIRE

    Erge, Hasan; Turan, Hakan; Kul, Ali Riza

    2016-01-01

    Objective: In this study, the solubility, density, conductivity and phase equilibria of the Na2(H2PO2)2-Ba(H2PO2)2-H2O ternary system located in the structure of the Na+, Ba2+, (H2PO2)-//H2O quaternary reciprocal water-salt system were investigated using physicochemical analysis methods. Material and Methods: Riedel-de Haen and Merck salts were used to investigate the solubility and phase equilibria of the Na2(H2PO2)2 -Ba(H2PO2)2-H2O ternary water–salt system at room temperature Res...

  17. Industrial production of MgH2 and its application

    International Nuclear Information System (INIS)

    Uesugi, H.; Sugiyama, T.; Nii, H.; Ito, T.; Nakatsugawa, I.

    2011-01-01

    Research highlights: → Tablet and powder Mg were hydrogenated in a 50 kg batch furnace based on thermal equilibrium method. → Compression of Mg tablet improved the hydrogenation yield. → Hydrolysis of MgH 2 using citric acid generated hydrogen under 373 K. → A MgH 2 -hydrogen reactor utilizing hydraulic head pressure was developed. → - Abstract: A process for the industrial production of magnesium hydride (MgH 2 ) based on a thermal equilibrium method and its application to portable hydrogen sources is proposed. Mg powders and tablets compressed with mechanically ground Mg ribbons were successfully hydrogenated in a 50-kg-batch furnace. The resultant MgH 2 showed a hydrogen yield of around 96% with good reproducibility. The compression ratio of Mg tablets was found to be an important factor in the hydrogenation yield. A hydrolysis technique using citric acid as an additive was employed to generate hydrogen under 373 K. Increasing the concentration of citric acid and the temperature accelerated the hydrolysis reactivity. A hydrogen reactor utilizing hydraulic head pressure was developed. It generated hydrogen continuously for 1 h at a flow rate of 100 ml min -1 with hydrolysis of 5 g of tablet-form MgH 2 . The conversion yield was around 70%, regardless of the flow rate.

  18. Electrochemical, H2O2-Boosted Catalytic Oxidation System

    Science.gov (United States)

    Akse, James R.; Thompson, John O.; Schussel, Leonard J.

    2004-01-01

    An improved water-sterilizing aqueous-phase catalytic oxidation system (APCOS) is based partly on the electrochemical generation of hydrogen peroxide (H2O2). This H2O2-boosted system offers significant improvements over prior dissolved-oxygen water-sterilizing systems in the way in which it increases oxidation capabilities, supplies H2O2 when needed, reduces the total organic carbon (TOC) content of treated water to a low level, consumes less energy than prior systems do, reduces the risk of contamination, and costs less to operate. This system was developed as a variant of part of an improved waste-management subsystem of the life-support system of a spacecraft. Going beyond its original intended purpose, it offers the advantage of being able to produce H2O2 on demand for surface sterilization and/or decontamination: this is a major advantage inasmuch as the benign byproducts of this H2O2 system, unlike those of systems that utilize other chemical sterilants, place no additional burden of containment control on other spacecraft air- or water-reclamation systems.

  19. High Efficient Reduction of Graphene Oxide via Nascent Hydrogen at Room Temperature

    Directory of Open Access Journals (Sweden)

    Qiqi Zhuo

    2018-02-01

    Full Text Available To develop a green and efficient method to synthesize graphene in relative milder conditions is prerequisite for graphene applications. A chemical reducing method has been developed to high efficiently reduce graphene oxide (GO using Fe2O3 and NH3BH3 as catalyst and reductants, respectively. During the process, environmental and strong reductive nascent hydrogen were generated surrounding the surface of GO sheets by catalyst hydrolysis reaction of NH3BH3 and were used for reduction of GO. The reduction process was studied by ultraviolet absorption spectroscopy, Raman spectroscopy, and Fourier transform infrared spectrum. The structure and morphology of the reduced GO were characterized with scanning electron microscopy and transmission electron microscopy. Compared to metal (Mg/Fe/Zn/Al particles and acid system which also use nascent hydrogen to reduce GO, this method exhibited higher reduction efficiency (43.6%. Also the reduction was carried out at room temperature condition, which is environmentally friendly. As a supercapacitor electrode, the reversible capacity of reduced graphene oxide was 113.8 F g−1 at 1 A g−1 and the capacitance retention still remained at 90% after 200 cycles. This approach provides a new method to reduce GO with high reduction efficiency by green reductant.

  20. An Annotation Agnostic Algorithm for Detecting Nascent RNA Transcripts in GRO-Seq.

    Science.gov (United States)

    Azofeifa, Joseph G; Allen, Mary A; Lladser, Manuel E; Dowell, Robin D

    2017-01-01

    We present a fast and simple algorithm to detect nascent RNA transcription in global nuclear run-on sequencing (GRO-seq). GRO-seq is a relatively new protocol that captures nascent transcripts from actively engaged polymerase, providing a direct read-out on bona fide transcription. Most traditional assays, such as RNA-seq, measure steady state RNA levels which are affected by transcription, post-transcriptional processing, and RNA stability. GRO-seq data, however, presents unique analysis challenges that are only beginning to be addressed. Here, we describe a new algorithm, Fast Read Stitcher (FStitch), that takes advantage of two popular machine-learning techniques, hidden Markov models and logistic regression, to classify which regions of the genome are transcribed. Given a small user-defined training set, our algorithm is accurate, robust to varying read depth, annotation agnostic, and fast. Analysis of GRO-seq data without a priori need for annotation uncovers surprising new insights into several aspects of the transcription process.

  1. Fine-structure resolved rotational transitions and database for CN+H2 collisions

    Science.gov (United States)

    Burton, Hannah; Mysliwiec, Ryan; Forrey, Robert C.; Yang, B. H.; Stancil, P. C.; Balakrishnan, N.

    2018-06-01

    Cross sections and rate coefficients for CN+H2 collisions are calculated using the coupled states (CS) approximation. The calculations are benchmarked against more accurate close-coupling (CC) calculations for transitions between low-lying rotational states. Comparisons are made between the two formulations for collision energies greater than 10 cm-1. The CS approximation is used to construct a database which includes highly excited rotational states that are beyond the practical limitations of the CC method. The database includes fine-structure resolved rotational quenching transitions for v = 0 and j ≤ 40, where v and j are the vibrational and rotational quantum numbers of the initial state of the CN molecule. Rate coefficients are computed for both para-H2 and ortho-H2 colliders. The results are shown to be in good agreement with previous calculations, however, the rates are substantially different from mass-scaled CN+He rates that are often used in astrophysical models.

  2. OH radicals distribution in an Ar-H2O atmospheric plasma jet

    Science.gov (United States)

    Li, L.; Nikiforov, A.; Xiong, Q.; Britun, N.; Snyders, R.; Lu, X.; Leys, C.

    2013-09-01

    Recently, plasma jet systems found numerous applications in the field of biomedicine and treatment of temperature-sensitive materials. OH radicals are one of the main active species produced by these plasmas. Present study deals with the investigation of RF atmospheric pressure plasma jet in terms of OH radicals production by admixture of H2O into argon used as a feed gas. Generation of OH radicals is studied by laser-induced fluorescence spectroscopy. The excitation dynamics of OH radicals induced by the laser photons is studied by time-resolved spectroscopy. It is shown that vibrational and rotational energy transfer processes, which are sensitive to the surrounding species, can lead to the complication in the OH radicals diagnostics at high pressure and have to be considered during experiments. The axial and radial 2D maps of absolute densities of hydroxyl radicals at different water contents are obtained. The highest density of 1.15 × 1020 m-3 is measured in the plasma core for the case of 0.3% H2O. In the x-y-plane, the OH density steeply decreases within a range of ±2 mm from its maximum value down to 1018 m-3. The effect of H2O addition on the generation of OH radicals is investigated and discussed.

  3. Elastic and inelastic processes in He+-H2 collisions between 2 and 30 keV

    International Nuclear Information System (INIS)

    Bergnes, C.; Bordenave-Montesquieu, D.; Boutonnet, A.; Nouet, P.; Dagnac, R.

    1986-01-01

    The elastic and inelastic processes have been studied for scattering of He + ions by H 2 molecules between 2 and 30 keV in the angular range from 10' to 3 0 by an energy loss technique. The analysis of elastic energy loss against E 0 theta 2 shows that the incident ion is scattered by the entire molecule at low energies whereas at high energies it is scattered by only one atom in the target. Comparison of the relative probabilities of the various excitation processes with the isoelectronic system He + -He demonstrates the different behaviours of a molecular target in the excitation mechanism. (author)

  4. Data-Driven Controller Design The H2 Approach

    CERN Document Server

    Sanfelice Bazanella, Alexandre; Eckhard, Diego

    2012-01-01

    Data-driven methodologies have recently emerged as an important paradigm alternative to model-based controller design and several such methodologies are formulated as an H2 performance optimization. This book presents a comprehensive theoretical treatment of the H2 approach to data-driven control design. The fundamental properties implied by the H2 problem formulation are analyzed in detail, so that common features to all solutions are identified. Direct methods (VRFT) and iterative methods (IFT, DFT, CbT) are put under a common theoretical framework. The choice of the reference model, the experimental conditions, the optimization method to be used, and several other designer’s choices are crucial to the quality of the final outcome, and firm guidelines for all these choices are derived from the theoretical analysis presented. The practical application of the concepts in the book is illustrated with a large number of practical designs performed for different classes of processes: thermal, fluid processing a...

  5. Clinical Applications of CO2 and H2 Breath Test

    Directory of Open Access Journals (Sweden)

    ZHAO Si-qian;CHEN Bao-jun;LUO Zhi-fu

    2016-08-01

    Full Text Available Breath test is non-invasive, high sensitivity and high specificity. In this article, CO2 breath test, H2 breath test and their clinical applications were elaborated. The main applications of CO2 breath test include helicobacter pylori test, liver function detection, gastric emptying test, insulin resistance test, pancreatic exocrine secretion test, etc. H2 breath test can be applied in the diagnosis of lactose malabsorption and detecting small intestinal bacterial overgrowth. With further research, the breath test is expected to be applied in more diseases diagnosis.

  6. H∞ /H2 model reduction through dilated linear matrix inequalities

    DEFF Research Database (Denmark)

    Adegas, Fabiano Daher; Stoustrup, Jakob

    2012-01-01

    This paper presents sufficient dilated linear matrix inequalities (LMI) conditions to the $H_{infty}$ and $H_{2}$ model reduction problem. A special structure of the auxiliary (slack) variables allows the original model of order $n$ to be reduced to an order $r=n/s$ where $n,r,s in field{N}$. Arb......This paper presents sufficient dilated linear matrix inequalities (LMI) conditions to the $H_{infty}$ and $H_{2}$ model reduction problem. A special structure of the auxiliary (slack) variables allows the original model of order $n$ to be reduced to an order $r=n/s$ where $n,r,s in field...

  7. Backward Stochastic H2/H∞ Control: Infinite Horizon Case

    Directory of Open Access Journals (Sweden)

    Zhen Wu

    2014-01-01

    Full Text Available The mixed H2/H∞ control problem is studied for systems governed by infinite horizon backward stochastic differential equations (BSDEs with exogenous disturbance signal. A necessary and sufficient condition for the existence of a unique solution to the H2/H∞ control problem is derived. The equivalent feedback solution is also discussed. Contrary to deterministic or stochastic forward case, the feedback solution is no longer feedback of the current state; rather, it is feedback of the entire history of the state.

  8. H2 emission from Herbig-Haro objects

    International Nuclear Information System (INIS)

    Elias, J.H.

    1980-01-01

    Molecular hydrogen emission lines have been detected in six Herbig-Haro objects. The line intensities suggest tha the H 2 emission arises in a moderate-density, shock-heated gas, consistent with evidence for a similar origin of the visible emission-line spectra in Herbig-Haro objects. Indirect arguments indicate that the typical H 2 line widths are less than 70 km s -1 and that typical helicentric radial velocities are no more than 30 km s -1 in magnitude

  9. [3H]-2-Deoxyglucose autoradiography in a molluscan nervous system

    International Nuclear Information System (INIS)

    Reingold, S.C.; Sejnowski, T.J.; Gelperin, A.

    1981-01-01

    The authors have used [ 3 H]2-deoxyglucose autoradiography to correlate the labeling of individual neurons with electrical activity within the central nervous system of a terrestrial mollusc, Limax maximus. In an electrically quiescent control preparation where a single neuron is impaled with a glass microelectrode but not stimulated, several somata are uniformly labeled at 3-5 times background. In preparations where a single cell is impaled and stimulated, one or more somata are heavily labeled with [ 3 H]2-deoxyglucose at 10-50 times tissue background. This technique may be useful for surveying metabolically active neurons during spontaneous and driven electrical activity. (Auth.)

  10. The solubility of gold in H 2 O-H 2 S vapour at elevated temperature and pressure

    Science.gov (United States)

    Zezin, Denis Yu.; Migdisov, Artashes A.; Williams-Jones, Anthony E.

    2011-09-01

    This experimental study sheds light on the complexation of gold in reduced sulphur-bearing vapour, specifically, in H 2O-H 2S gas mixtures. The solubility of gold was determined in experiments at temperatures of 300, 350 and 365 °C and reached 2.2, 6.6 and 6.3 μg/kg, respectively. The density of the vapour varied from 0.02 to 0.22 g/cm 3, the mole fraction of H 2S varied from 0.03 to 0.96, and the pressure in the cell reached 263 bar. Statistically significant correlations of the amount of gold dissolved in the fluid with the fugacity of H 2O and H 2S permit the experimental data to be fitted to a solvation/hydration model. According to this model, the solubility of gold in H 2O-H 2S gas mixtures is controlled by the formation of sulphide or bisulphide species solvated by H 2S or H 2O molecules. Formation of gold sulphide species is favoured statistically over gold bisulphide species and thus the gold is interpreted to dissolve according to reactions of the form: Au(s)+(n+1)HS(g)=AuS·(HS)n(g)+H(g) Au(s)+HS(g)+mHO(g)=AuS·(HO)m(g)+H(g) Equilibrium constants for Reaction (A1) and the corresponding solvation numbers ( K A1 and n) were evaluated from the study of Zezin et al. (2007). The equilibrium constants as well as the hydration numbers for Reaction (A2) ( K A2 and m) were adjusted simultaneously by a custom-designed optimization algorithm and were tested statistically. The resulting values of log K A2 and m are -15.3 and 2.3 at 300 and 350 °C and -15.1 and 2.2 at 365 °C, respectively. Using the calculated stoichiometry and stability of Reactions (A1) and (A2), it is now possible to quantitatively evaluate the contribution of reduced sulphur species to the transport of gold in aqueous vapour at temperatures up to 365 °C. This information will find application in modelling gold ore-forming processes in vapour-bearing magmatic hydrothermal systems, notably those of epithermal environments.

  11. A study of the accelerated zircaloy-4 oxidation reaction with H2O/H2 mixture gas

    International Nuclear Information System (INIS)

    Kim, Y. S.; Cho, I. J.

    2001-01-01

    A study of the Zircaloy-4 reaction with H 2 O/H 2 mixture gas is carried out by using TGA (Thermo Gravimetric Apparatus) to estimate the hydrogen embrittlement which can possibly cause catastrophic nuclear fuel rod failure. Reaction rates are measured as a function of H 2 /H 2 O. In the experiments reaction temperature is set at 500 .deg. C and total pressure of the mixture gas is maintained at 1 atm. Experimental results reveal that hydriding and oxidation reaction are competing. In early stage, hydriding kinetics is faster than oxidation, however, oxidant in H 2 O forms oxide on the surface as steam environment is maintained, thus, this growing oxide begins to protect the zirconium base metal against hydrogen permeation. In this second stage, the total kinetic rate follows enhanced oxidation kinetics. In the final stage, it is observed that the oxide is broken down and massive hydriding takes place through the mechanical defects in the oxide, whose kinetics is similar to pure hydriding kinetics. These results are confirmed by SEM and EDX analysis along with hydrogen concentration measurements

  12. The 1(h/2π)ω spectra of nuclei with a nearly half-filled 1p shell

    International Nuclear Information System (INIS)

    Jaeger, H.U.; Kirchbach, M.

    1977-01-01

    The effective particle-hole interaction of Millener and Kurath which contains non-central components is used to study the non-normal parity states of A = 9 - 12 nuclei in the framework of all non-spurious 1(h/2π)ω excitations. Additional calculations with a pure central force confirm the conclusion that non-central forces are necessary for a unified description of non-normal parity states in 1p-shell nuclei. (author)

  13. The rotational excitation of HF by H

    Science.gov (United States)

    Desrousseaux, Benjamin; Lique, François

    2018-06-01

    The HF molecule is a key tracer of molecular hydrogen in diffuse interstellar medium (ISM). Accurate modelling of the HF abundance in such media requires one to model its excitation by both radiation and collisions. In diffuse ISM, the dominant collisional partners are atomic and molecular hydrogen. We report quantum time-independent calculations of collisional cross-sections and rate coefficients for the rotational excitation of HF by H. The reactive hydrogen exchange channels are taken into account in the scattering calculations. For the first time, HF-H rate coefficients are provided for temperature ranging from 10 to 500 K. The strongest collision-induced rotational HF transitions are those with Δj = 1, and the order of magnitude of the new HF-H rate coefficients is similar to that of the HF-H2 ones previously computed. As a first application, we simulate the excitation of HF by both H and H2 in typical diffuse ISM. We show that, depending on the rotational transition, hydrogen atoms increase or decrease the simulated excitation temperatures compared to collisional excitation only due to H2 molecules. Such results suggest that the new HF-H collisional data have to be used for properly modelling the abundance of HF in diffuse ISM.

  14. First-principles Study of the Electronic Structure and Optical Properties of MgH2

    Science.gov (United States)

    Alford, Ashley; Chou, Mei-Yin

    2003-03-01

    It has been noticed that magnesium might play an interesting role in recently discovered switchable-mirror systems. For example, the films of rare earth and magnesium alloys are found to be superior to the pure rare-earth samples in maximum transparency and mirror-state reflectivity [1]. Moreover, the magnesium-rich Ni-Mg alloy films turned out to be a switchable-mirror system without rare earths [2]. In both cases, pure transparent MgH2 is reversibly formed when these alloys take up hydrogen. In order to model the optical properties of these films, we need to know the electronic and optical properties of MgH2. In this work, we investigate its bonding characteristics, band structure, and dielectric properties with first-principles theoretical methods. The stability of the crystal and the bonding are studied using density functional theory and pseudopotential methods. The excited state properties (the quasiparticle spectra) are studied by many-body perturbation theory within the so-called GW approximation in which the electronic self-energy is approximated by the full Green's function (G) times the screened Coulomb interaction (W). We will report the results for both the rutile-structured alpha-MgH2 and the low-symmetry gamma-MgH2. [1] P. van der Sluis, M. Ouwerkerk, and P. A. Duine, Appl. Phys. Lett. 70, 3356 (1997). [2] T. J. Richardson, J. L. Slack, R. D. armitage, R. Kostecki, B. Farangis, and M. D. Rubin, Appl. Phys. Lett. 78, 3047 (2001).

  15. Molecular excited states from the SCAN functional

    Science.gov (United States)

    Tozer, David J.; Peach, Michael J. G.

    2018-06-01

    The performance of the strongly constrained and appropriately normed (SCAN) meta-generalised gradient approximation exchange-correlation functional is investigated for the calculation of time-dependent density-functional theory molecular excitation energies of local, charge-transfer and Rydberg character, together with the excited ? potential energy curve in H2. The SCAN results frequently resemble those obtained using a global hybrid functional, with either a standard or increased fraction of exact orbital exchange. For local excitations, SCAN can exhibit significant triplet instability problems, resulting in imaginary triplet excitation energies for a number of cases. The Tamm-Dancoff approximation offers a simple approach to improve the situation, but the excitation energies are still significantly underestimated. Understanding the origin of these (near)-triplet instabilities may provide useful insight into future functional development.

  16. Adsorption of CO, CO2, H2, and H2O on titania surfaces with different oxidation states

    International Nuclear Information System (INIS)

    Raupp, G.B.; Dumesic, J.A.

    1985-01-01

    The adsorptive properties of titania surfaces with different oxidation states were proved by temperature-programmed desorption (TPD) of CO, H 2 , CO 2 , and H 2 O. Auger electron spectroscopy and X-ray photoelectron spectroscopy revealed that vacuum annealing an oxidized titanium foil at temperatures from 300 to 800 K was an effective means of systematically varying the average surface oxidation state from Ti 4+ to Ti 2+ . Carbon monoxide weakly adsorbed (desorption energy of 44-49 kJ x mol -1 ) in a carbonyl fashion on coordinatively unsaturated cation sites. Titania surfaces were inert with respect to H 2 adsorption and dissociation. Carbon dioxide adsorbed in a linear molecular fashion. Water adsorbed both molecularly and dissociatively. Results are discussed in terms of the role of titania oxidation state in CO hydrogenation over titania-supported metal catalysts. 74 references, 7 figures

  17. Atmospheric pressure plasma jet utilizing Ar and Ar/H2O mixtures and its applications to bacteria inactivation

    International Nuclear Information System (INIS)

    Cheng Cheng; Shen Jie; Xiao De-Zhi; Xie Hong-Bing; Lan Yan; Fang Shi-Dong; Meng Yue-Dong; Chu Paul K

    2014-01-01

    An atmospheric pressure plasma jet generated with Ar with H 2 O vapor is characterized and applied to inactivation of Bacillus subtilis spores. The emission spectra obtained from Ar/H 2 O plasma shows a higher intensity of OH radicals compared to pure argon at a specified H 2 O concentration. The gas temperature is estimated by comparing the simulated spectra of the OH band with experimental spectra. The excitation electron temperature is determined from the Boltzmann's plots and Stark broadening of the hydrogen Balmer H β line is applied to measure the electron density. The gas temperature, excitation electron temperature, and electron density of the plasma jet decrease with the increase of water vapor concentration at a fixed input voltage. The bacteria inactivation rate increases with the increase of OH generation reaching a maximum reduction at 2.6% (v/v) water vapor. Our results also show that the OH radicals generated by the Ar/H 2 O plasma jet only makes a limited contribution to spore inactivation and the shape change of the spores before and after plasma irradiation is discussed. (physics of gases, plasmas, and electric discharges)

  18. Solar kerosene from H2O and CO2

    Science.gov (United States)

    Furler, P.; Marxer, D.; Scheffe, J.; Reinalda, D.; Geerlings, H.; Falter, C.; Batteiger, V.; Sizmann, A.; Steinfeld, A.

    2017-06-01

    The entire production chain for renewable kerosene obtained directly from sunlight, H2O, and CO2 is experimentally demonstrated. The key component of the production process is a high-temperature solar reactor containing a reticulated porous ceramic (RPC) structure made of ceria, which enables the splitting of H2O and CO2 via a 2-step thermochemical redox cycle. In the 1st reduction step, ceria is endo-thermally reduced using concentrated solar radiation as the energy source of process heat. In the 2nd oxidation step, nonstoichiometric ceria reacts with H2O and CO2 to form H2 and CO - syngas - which is finally converted into kerosene by the Fischer-Tropsch process. The RPC featured dual-scale porosity for enhanced heat and mass transfer: mm-size pores for volumetric radiation absorption during the reduction step and μm-size pores within its struts for fast kinetics during the oxidation step. We report on the engineering design of the solar reactor and the experimental demonstration of over 290 consecutive redox cycles for producing high-quality syngas suitable for the processing of liquid hydrocarbon fuels.

  19. submitter Thermodynamics of the formation of sulfuric acid dimers in the binary (H2SO4–H2O) and ternary (H2SO4–H2O–NH3) system

    CERN Document Server

    Kürten, A; Rondo, L; Bianchi, F; Duplissy, J; Jokinen, T; Junninen, H; Sarnela, N; Schobesberger, S; Simon, M; Sipilä, M; Almeida, J; Amorim, A; Dommen, J; Donahue, N M; Dunne, E M; Flagan, R C; Franchin, A; Kirkby, J; Kupc, A; Makhmutov, V; Petäjä, T; Praplan, A P; Riccobono, F; Steiner, G; Tomé, A; Tsagkogeorgas, G; Wagner, P E; Wimmer, D; Baltensperger, U; Kulmala, M; Worsnop, D R; Curtius, J

    2015-01-01

    Sulfuric acid is an important gas influencing atmospheric new particle formation (NPF). Both the binary $(H_2SO_4–H_2O)$ system and the ternary system involving ammonia $(H_2SO_4–H_2O–NH_3)$ may be important in the free troposphere. An essential step in the nucleation of aerosol particles from gas-phase precursors is the formation of a dimer, so an understanding of the thermodynamics of dimer formation over a wide range of atmospheric conditions is essential to describe NPF. We have used the CLOUD chamber to conduct nucleation experiments for these systems at temperatures from 208 to 248 K. Neutral monomer and dimer concentrations of sulfuric acid were measured using a chemical ionization mass spectrometer (CIMS). From these measurements, dimer evaporation rates in the binary system were derived for temperatures of 208 and 223 K. We compare these results to literature data from a previous study that was conducted at higher temperatures but is in good agreement with the present study. For the ternary sys...

  20. Room temperature CO and H2 sensing with carbon nanoparticles

    International Nuclear Information System (INIS)

    Kim, Daegyu; Pikhitsa, Peter V; Yang, Hongjoo; Choi, Mansoo

    2011-01-01

    We report on a shell-shaped carbon nanoparticle (SCNP)-based gas sensor that reversibly detects reducing gas molecules such as CO and H 2 at room temperature both in air and inert atmosphere. Crystalline SCNPs were synthesized by laser-assisted reactions in pure acetylene gas flow, chemically treated to obtain well-dispersed SCNPs and then patterned on a substrate by the ion-induced focusing method. Our chemically functionalized SCNP-based gas sensor works for low concentrations of CO and H 2 at room temperature even without Pd or Pt catalysts commonly used for splitting H 2 molecules into reactive H atoms, while metal oxide gas sensors and bare carbon-nanotube-based gas sensors for sensing CO and H 2 molecules can operate only at elevated temperatures. A pristine SCNP-based gas sensor was also examined to prove the role of functional groups formed on the surface of functionalized SCNPs. A pristine SCNP gas sensor showed no response to reducing gases at room temperature but a significant response at elevated temperature, indicating a different sensing mechanism from a chemically functionalized SCNP sensor.

  1. Reaction of ferric leghemoglobin with H2O2

    DEFF Research Database (Denmark)

    Moreau, S; Davies, M J; Puppo, A

    1995-01-01

    Ferric leghemoglobin in the presence of H2O2 is known to give rise to protein radicals, at least one of which is centred on a tyrosine residue. These radicals are quenched by at least two processes. The first one involves an intramolecular heme-protein cross-link probably involving the tyrosine r...

  2. Surface tension of H2O and D2O

    International Nuclear Information System (INIS)

    Vargaftik, N.B.; Voljak, L.D.; Volkov, B.N.

    1975-01-01

    There is a great number of works on surface tension of clean water (H 2 O) at temperatures up to 100 deg C and very few above the boiling point. Works on surface tension of heavy water (D 2 O) are insufficient. A review of works on surface tension of both kinds of water is given

  3. Review of H2 and O2 detection in LWRS

    International Nuclear Information System (INIS)

    Neidel, E.C.; Castle, J.G. Jr.

    1981-01-01

    Hydrogen detection systems are being installed in existing LWR's and are being planned for new ones. This review summarizes the present status of instrument availability and of application in nuclear power plants. The H 2 sensors in most of the detection systems purchased to date by the nuclear utilities are being located outside of containment. The air sampled for each H 2 sensor is circulated outside to the analyzer and back through two pipes which penetrate the containment wall. The travel time for the air to reach the sensor increases the response time for H 2 detection by approximately one-half minute. A few of the utilities will operate their H 2 sensors inside LWR containment. Since these systems lack radiation-hardened electronics, they require multiple wire penetrations which considerably increase installation costs and reduce the attractiveness of these systems. One electric power utility has requested quotations from hydrogen detector manufacturers for hydrogen detection equipment with better performance and faster system response than that presently available commercially. The requested detector response time of 15 seconds or less would permit the decision delay prior to initiating hydrogen control measures to be on the order of one minute

  4. Dynamics of H2 on Ti/Al(100) surfaces

    NARCIS (Netherlands)

    Chen, Jian-Cheng

    2011-01-01

    What is the catalytic role played by titanium in the hydrogen storage material NaAlH4? This thesis aims at unraveling the dynamics of an elementary reaction: H2 dissociation on Ti/Al(100) surfaces. Although this reaction is not the rate limiting step in the hydrogen storage of NaAlH4, it is an

  5. Economic analysis of novel synergistic biofuel (H2Bioil) processes

    International Nuclear Information System (INIS)

    Singh, Navneet R.; Mallapragada, Dharik S.; Agrawal, Rakesh; Tyner, Wallace E.

    2012-01-01

    Fast-pyrolysis based processes can be built on small-scale and have higher process carbon and energy efficiency as compared to other options. H 2 Bioil is a novel process based on biomass fast-hydropyrolysis and subsequent hydrodeoxygenation (HDO) and can potentially provide high yields of high energy density liquid fuel at relatively low hydrogen consumption. This paper contains a comprehensive financial analysis of the H 2 Bioil process with hydrogen derived from different sources. Three different carbon tax scenarios are analyzed: no carbon tax, $55/metric ton carbon tax and $110/metric ton carbon tax. The break-even crude oil price for a delivered biomass cost of $94/metric ton when hydrogen is derived from coal, natural gas or nuclear energy ranges from $103 to $116/bbl for no carbon tax and even lower ($99-$111/bbl) for the carbon tax scenarios. This break-even crude oil price compares favorably with the literature estimated prices of fuels from alternate biochemical and thermochemical routes. The impact of the chosen carbon tax is found to be limited relative to the impact of the H 2 source on the H 2 Bioil break-even price. The economic robustness of the processes for hydrogen derived from coal, natural gas, or nuclear energy is seen by an estimated break-even crude oil price of $114-$126/bbl when biomass cost is increased to $121/metric ton. (orig.)

  6. H2A Production Model, Version 2 User Guide

    Energy Technology Data Exchange (ETDEWEB)

    Steward, D.; Ramsden, T.; Zuboy, J.

    2008-09-01

    The H2A Production Model analyzes the technical and economic aspects of central and forecourt hydrogen production technologies. Using a standard discounted cash flow rate of return methodology, it determines the minimum hydrogen selling price, including a specified after-tax internal rate of return from the production technology. Users have the option of accepting default technology input values--such as capital costs, operating costs, and capacity factor--from established H2A production technology cases or entering custom values. Users can also modify the model's financial inputs. This new version of the H2A Production Model features enhanced usability and functionality. Input fields are consolidated and simplified. New capabilities include performing sensitivity analyses and scaling analyses to various plant sizes. This User Guide helps users already familiar with the basic tenets of H2A hydrogen production cost analysis get started using the new version of the model. It introduces the basic elements of the model then describes the function and use of each of its worksheets.

  7. Glitters of warm H2 in cold diffuse molecular gas

    NARCIS (Netherlands)

    Falgarone, Edith; Beichman, Chaz; Boulanger, Francois; Combes, Francoise; Gry, Cecile; Helou, Georges; Laureijs, Rene; Pineau Des Forets, Guillaume; Valentijn, Edwin; Verstraete, Laurent

    2004-01-01

    Cold molecular hydrogen, a possibly dominant gas fraction in galaxies, does not radiate due to the symmetry and small moment of inertia of the molecule. The only tracers of cold H2, the rotational lines of CO and dust thermal emission operate only in metal-rich environments. By detecting the lowest

  8. H2S-Mediated Thermal and Photochemical Methane Activation

    NARCIS (Netherlands)

    Baltrusaitis, Jonas; de Graaf, Coen; Broer, Ria; Patterson, Eric V.

    2013-01-01

    Sustainable, low-temperature methods for natural gas activation are critical in addressing current and foreseeable energy and hydrocarbon feedstock needs. Large portions of natural gas resources are still too expensive to process due to their high content of hydrogen sulfide gas (H2S) mixed with

  9. Centrifugal turbocompressor with contactless sealing for H-2 S

    International Nuclear Information System (INIS)

    Peculea, M.; Balint, I.; Hirean, I.; Dumitrescu, C.; Pitigoi, Gh.; Balanuca, C.

    1995-01-01

    This paper reports the development of a centrifugal turbocompressor with contactless sealing for H 2 S specially designed for the ROMAG Drobeta heavy water plant. The bench-scale experiments are described and the resulted main characteristics are given. For this equipment an asymmetric automatic anti-pumping protection system has been developed and patented

  10. Hydrogen Financial Analysis Scenario Tool (H2FAST); NREL (National Renewable Energy Laboratory)

    Energy Technology Data Exchange (ETDEWEB)

    Melaina, Marc

    2015-04-21

    This presentation describes the Hydrogen Financial Analysis Scenario Tool, H2FAST, and provides an overview of each of the three H2FAST formats: the H2FAST web tool, the H2FAST Excel spreadsheet, and the H2FAST Business Case Scenario (BCS) tool. Examples are presented to illustrate the types of questions that H2FAST can help answer.

  11. Computational study on the mechanisms and energetics of trimethylindium reactions with H2O and H2S.

    Science.gov (United States)

    Raghunath, P; Lin, M C

    2007-07-19

    The reactions of trimethylindium (TMIn) with H2O and H2S are relevant to the chemical vapor deposition of indium oxide and indium sulfide thin films. The mechanisms and energetics of these reactions in the gas phase have been investigated by density functional theory and ab initio calculations using the CCSD(T)/[6-31G(d,p)+Lanl2dz]//B3LYP/[6-31G(d,p)+Lanl2dz] and CCSD(T)/[6-31G(d,p)+Lanl2dz] //MP2/[6-31G(d,p)+Lanl2dz] methods. The results of both methods are in good agreement for the optimized geometries and relative energies. When TMIn reacts with H2O and H2S, initial molecular complexes [(CH3)3In:OH2 (R1)] and [(CH3)3In:SH2 (R2)] are formed with 12.6 and 3.9 kcal/mol binding energies. Elimination of a CH4 molecule from each complex occurs with a similar energy barrier at TS1 (19.9 kcal/mol) and at TS3 (22.1 kcal/mol), respectively, giving stable intermediates (CH3)2InOH and (CH3)2InSH. The elimination of the second CH4 molecule from these intermediate products, however, has to overcome very high and much different barriers of 66.1 and 53.2 kcal/mol, respectively. In the case of DMIn with H2O and H2S reactions, formation of both InO and InS is exothermic by 3.1 and 30.8 kcal/mol respectively. On the basis of the predicted heats of formation of R1 and R2 at 0 K and -20.1 and 43.6 kcal/mol, the heats of formation of (CH3)2InOH, (CH3)2InSH, CH3InO, CH3InS, InO, and InS are estimated to be -20.6, 31.8, and 29.0 and 48.4, 35.5, and 58.5 kcal/mol, respectively. The values for InO and InS are in good agreement with available experimental data. A similar study on the reactions of (CH3)2In with H2O and H2S has been carried out; in these reactions CH3InOH and CH3InSH were found to be the key intermediate products.

  12. Avaliação do Potencial de Conservação de Nascentes na Zona da Mata Pernambucana

    Directory of Open Access Journals (Sweden)

    Lívia Câmara Machado

    2017-12-01

    Full Text Available As nascentes são importantes fontes de água para a realização das atividades e sobrevivência de agricultores familiares nos espaços rurais. Devido a isso, estas fontes possuem relevância para o desenvolvimento e dinâmica de áreas de produção agrícola e para o consumo humano. Em decorrência dos problemas vivenciados pelos usos e apropriações inadequadas de áreas de nascentes, impactos negativos são visíveis e dificultam a conservação destas fontes que são importantes formas de acesso à água no meio rural. A realidade aponta alguns conflitos para a conservação de nascentes, que vai desde a forma de uso e ocupação do território até as práticas realizadas pelos usuários. O estudo propõe indicar o potencial de conservação de nascentes utilizadas para o abastecimento humano, a partir da ferramenta metodológica interdisciplinar para avaliação do potencial de conservação de nascentes no Assentamento Caricé, em Vitória de Santo Antão, Pernambuco. As técnicas adotadas no estudo foram de documentação indireta, (pesquisa documental e bibliográfica; e de documentação direta (pesquisa de campo, pesquisa de laboratório, observação assistemática, entrevistas estruturadas e roteiro de campo. Os parâmetros de análise das nascentes foram agrupados em três eixos distintos, o ecológico, o socioterritorial e o político, conforme prevê a metodologia interdisciplinar para avaliação do potencial de conservação das nascentes. De acordo com a ferramenta metodológica interdisciplinar, a maioria das nascentes do Assentamento Caricé, localizado no município de Vitória de Santo Antão em Pernambuco se encontram com o potencial de conservação no nível intermediário. As análises realizadas para o eixo político neste trabalho confirmam a realidade no meio rural, que não dispõe de assistência técnica, apoio e iniciativas para conservar os recursos naturais.

  13. Improved radiosensitive microcapsules using H2O2

    International Nuclear Information System (INIS)

    Harada, Satoshi; Ehara, Shigeru; Ishii, Keizo

    2010-01-01

    The radiation-induced releasing of the liquid-core of the microcapsules was improved using H 2 O 2 , which produced O 2 generation of H 2 O 2 after irradiation. Further, we tested whether these microcapsules enhanced the antitumor effects and decreased the adverse effects in vivo in C3He/J mice. The capsules were produced by spraying a mixture of 3.0% hyaluronic acid, 2.0% alginate, 3.0% H 2 O 2 , and 0.3 mmol of carboplatin on a mixture of 0.3 mol FeCl 2 and 0.15 mol CaCl 2 . The microcapsules were subcutaneously injected into MM46 tumors that had been inoculated in the left hind legs of C3He/J mice. The radiotherapy comprised tumor irradiation with 10 Gy or 20 Gy 60 Co. The antitumor effect of the microcapsules was tested by measuring tumor size and monitoring tumor growth. Three types of adverse effects were considered: fuzzy hair, loss of body weight, and death. The size of the capsule size was 23±2.4 μmφ and that of the liquid core, 20.2±2.2 μmφ. The injected microcapsules localized drugs around the tumor. The production of O 2 by radiation increased the release of carboplatin from the microcapsules. The antitumor effects of radiation, carboplatin, and released oxygen were synergistic. Localization of the carboplatin decreased its adverse effects. However, the H 2 O 2 caused ulceration of the skin in the treated area. The use of our microcapsules enhanced the antitumor effects and decreased the adverse effects of carboplatin. However, the skin-ulceration caused by H 2 O 2 must be considered before these microcapsules can be used clinically. (author)

  14. Tricyclic sesquiterpene copaene prevents H2O2-induced neurotoxicity

    Directory of Open Access Journals (Sweden)

    Hasan Turkez

    2014-02-01

    Full Text Available Aim: Copaene (COP, a tricyclic sesquiterpene, is present in several essential oils of medicinal and aromatic plants and has antioxidant and anticarcinogenic features. But, very little information is known about the effects of COP on oxidative stress induced neurotoxicity. Method: We used hydrogen peroxide (H2O2 exposure for 6 h to model oxidative stress. Therefore, this experimental design allowed us to explore the neuroprotective potential of COP in H2O2-induced toxicity in rat cerebral cortex cell cultures for the first time. For this purpose, methyl thiazolyl tetrazolium (MTT and lactate dehydrogenase (LDH release assays were carried out to evaluate cytotoxicity. Total antioxidant capacity (TAC and total oxidative stress (TOS parameters were used to evaluate oxidative changes. In addition to determining of 8-hydroxy-2-deoxyguanosine (8-OH-dG levels, the single cell gel electrophoresis (SCGE or comet assay was also performed for measuring the resistance of neuronal DNA to H2O2-induced challenge. Result: The results of this study showed that survival and TAC levels of the cells decreased, while TOS, 8-OH-dG levels and the mean values of the total scores of cells showing DNA damage increased in the H2O2 alone treated cultures. But pre-treatment of COP suppressed the cytotoxicity, genotoxicity and oxidative stress which were increased by H2O2. Conclusion: It is proposed that COP as a natural product with an antioxidant capacity in mitigating oxidative injuries in the field of neurodegenerative diseases. [J Intercult Ethnopharmacol 2014; 3(1.000: 21-28

  15. LAD Dissertation Prize Talk: Molecular Collisional Excitation in Astrophysical Environments

    Science.gov (United States)

    Walker, Kyle M.

    2017-06-01

    While molecular excitation calculations are vital in determining particle velocity distributions, internal state distributions, abundances, and ionization balance in gaseous environments, both theoretical calculations and experimental data for these processes are lacking. Reliable molecular collisional data with the most abundant species - H2, H, He, and electrons - are needed to probe material in astrophysical environments such as nebulae, molecular clouds, comets, and planetary atmospheres. However, excitation calculations with the main collider, H2, are computationally expensive and therefore various approximations are used to obtain unknown rate coefficients. The widely-accepted collider-mass scaling approach is flawed, and alternate scaling techniques based on physical and mathematical principles are presented here. The most up-to-date excitation data are used to model the chemical evolution of primordial species in the Recombination Era and produce accurate non-thermal spectra of the molecules H2+, HD, and H2 in a primordial cloud as it collapses into a first generation star.

  16. Isolation of nucleoli from Ehrlich ascites tumor cells and dynamics of nascent RNA within isolated nucleoli.

    Science.gov (United States)

    Thiry, Marc; Ploton, Dominique

    2008-01-01

    Here we describe a new, rapid method for isolating nucleoli from Ehrlich tumor cells that preserves their morphological integrity and high transcriptional activity. Until now, methods for isolation of nucleoli were generally assumed to empty one of their three main compartments, the fibrillar center, of its contents. This new method consists of sonicating cells in an isotonic medium containing MgSO(4), spermidine, and spermine, followed by separation of nucleoli through a Percoll density gradient. Using the nonisotopic approach of labelling with BrUTP, we have further investigated the dynamics of nascent ribosomal RNAs (rRNAs) within morphologically intact isolated nucleoli at the electron microscope level. We show that ribosomal transcripts are elongated in the cortex of the fibrillar center and then enter the surrounding dense fibrillar component.

  17. A Two-Way Street: Regulatory Interplay between RNA Polymerase and Nascent RNA Structure.

    Science.gov (United States)

    Zhang, Jinwei; Landick, Robert

    2016-04-01

    The vectorial (5'-to-3' at varying velocity) synthesis of RNA by cellular RNA polymerases (RNAPs) creates a rugged kinetic landscape, demarcated by frequent, sometimes long-lived, pauses. In addition to myriad gene-regulatory roles, these pauses temporally and spatially program the co-transcriptional, hierarchical folding of biologically active RNAs. Conversely, these RNA structures, which form inside or near the RNA exit channel, interact with the polymerase and adjacent protein factors to influence RNA synthesis by modulating pausing, termination, antitermination, and slippage. Here, we review the evolutionary origin, mechanistic underpinnings, and regulatory consequences of this interplay between RNAP and nascent RNA structure. We categorize and rationalize the extensive linkage between the transcriptional machinery and its product, and provide a framework for future studies. Copyright © 2016 Elsevier Ltd. All rights reserved.

  18. Mechanisms for the Production of Fast HI from Dissociation of H2 on Saturn

    Science.gov (United States)

    Liu, Xianming; Johnson, Paul; Malone, Charles; Young, Jason; Kanik, Isik; Shemansky, Donald

    2010-05-01

    Images of the Saturn system obtained by the Cassini UVIS at a pixel resolution of 0.1 × 0.1 Saturn radii (Rs) reveal atomic hydrogen in ballistic and escaping trajectories sourced at the top of the thermosphere, primarily in the southern sunlit hemisphere. The main feature in the image is a distinctive H Lyman-α plume structure with FWHM of 0.56 Rs at the exobase sub-solar limb at ~ -13.5° latitude constituting the core of the distributed outward flow of atomic hydrogen from the sunlit hemisphere, with a counterpart on the anti-solar side peaking near the equator above the exobase limb. The structure of the image indicates that part of the out-flowing population is sub-orbital and re-enters the thermosphere in ~ 5 hour time scale. A larger and more broadly distributed component fills the magnetosphere to beyond 45 Rs in the orbital plane and 20 Rs latitudinally above and below the plane in an asymmetric distribution in local time. Molecular hydrogen emission in extreme and far ultraviolet regions collected with the H Lyman-α into the image mosaic reveals a distinctive resonance property correlated with the atomic hydrogen plume and shows a strong deviation of H2 X 1Σg+ from local thermodynamic equilibrium in the main source region. The inferred approximate globally averaged energy deposition at the top of the thermosphere from the production of the hot atomic hydrogen accounts for the measured atmospheric temperature. Possible processes for the fast atomic hydrogen formation from dissociation of H2 include the excitation of singlet-ungerade states and doubly excited states by photons and electrons, and the excitation of the singlet-gerade and triplet states by electrons, and chemical reactions involving the formation and dissociative recombination of H3+. Based on the available laboratory measurements and quantum mechanics calculations, the assessment of various mechanisms for H2 - H production, especially those producing H atoms with sufficient energy to

  19. Crystalline and amorphous H2O on Charon

    Science.gov (United States)

    Dalle Ore, Cristina M.; Cruikshank, Dale P.; Grundy, Will M.; Ennico, Kimberly; Olkin, Catherine B.; Stern, S. Alan; Young, Leslie A.; Weaver, Harold A.

    2015-11-01

    Charon, the largest satellite of Pluto, is a gray-colored icy world covered mostly in H2O ice, with spectral evidence for NH3, as previously reported (Cook et al. 2007, Astrophys. J. 663, 1406-1419 Merlin, et al. 2010, Icarus, 210, 930; Cook, et al. 2014, AAS/Division for Planetary Sciences Meeting Abstracts, 46, #401.04). Images from the New Horizons spacecraft reveal a surface with terrains of widely different ages and a moderate degree of localized coloration. The presence of H2O ice in its crystalline form (Brown & Calvin 2000 Science 287, 107-109; Buie & Grundy 2000 Icarus 148, 324-339; Merlin et al, 2010) along with NH3 is consistent with a fresh surface.The phase of H2O ice is a key tracer of variations in temperature and physical conditions on the surface of outer Solar System objects. At Charon’s surface temperature H2O is expected to be amorphous, but ground-based observations (e.g., Merlin et al. 2010) show a clearly crystalline signature. From laboratory experiments it is known that amorphous H2O ice becomes crystalline at temperatures of ~130 K. Other mechanisms that can change the phase of the ice from amorphous to crystalline include micro-meteoritic bombardment (Porter et al. 2010, Icarus, 208, 492) or resurfacing processes such as cryovolcanism.New Horizons observed Charon with the LEISA imaging spectrometer, part of the Ralph instrument (Reuter, D.C., Stern, S.A., Scherrer, J., et al. 2008, Space Science Reviews, 140, 129). Making use of high spatial resolution (better than 10 km/px) and spectral resolving power of 240 in the wavelength range 1.25-2.5 µm, and 560 in the range 2.1-2.25 µm, we report on an analysis of the phase of H2O ice on parts of Charon’s surface with a view to investigate the recent history and evolution of this small but intriguing object.This work was supported by NASA’s New Horizons project.

  20. Speciation in the aqueous H+/H2VO4-/H2O2/citrate system of biomedical interest.

    Science.gov (United States)

    Gorzsás, András; Getty, Kendra; Andersson, Ingegärd; Pettersson, Lage

    2004-09-21

    The speciation in the quaternary aqueous H+/H2VO4-/H2O2/citrate (Cit3-) and H+/H2VO4-/Cit3-/L-(+)-lactate (Lac-) systems has been determined at 25 degrees C in the physiological medium of 0.150 M Na(Cl). A combination of 51V NMR integral intensities and chemical shift (Bruker AMX500) as well as potentiometric data (glass electrode) have been collected and evaluated with the computer program LAKE, which is able to treat multimethod data simultaneously. The pKa-values for citric acid have been determined as 2.94, 4.34 and 5.61. Altogether six vanadate-citrate species have been found in the ternary H+/H2VO4-/Cit3- system in the pH region 2-10, only two of which are mononuclear. Reduction of vanadium(V) becomes more pronounced at pH acidic solutions limited the final model to pH > 4. In the quaternary H+/H2VO4-/Cit3-/Lac- system, two mixed-ligand species have been determined, with the compositions V2CitLac2- and V2CitLac3- (pKa = 5.0). To our knowledge, this is the first time such complexes have been reported for vanadium(V). 51V NMR chemical shifts, compositions and formation constants are given, and equilibrium conditions are illustrated in distribution diagrams as well as the fit of the model to the experimental data. When suitable, structural proposals are given, based on 13C NMR measurements and available literature data of related compounds.

  1. Dissociation of nucleosomal particles by chemical modification. Equivalence of the two binding sites for H2A.H2B dimers

    International Nuclear Information System (INIS)

    Jordano, J.; Nieto, M.A.; Palacian, E.

    1985-01-01

    Treatment of nucleosomal particles with dimethylmaleic anhydride, a reagent for protein amino groups, is accompanied by a biphasic release of histones H2A plus H2B; one H2A.H2B dimer is more easily released than the other. This behavior allows the preparation of nucleosomal particles containing only one H2A.H2B dimer, which were complemented with 125 I-labeled H2A.H2B. These reconstituted particles, which contain one labeled and one unlabeled H2A.H2B dimer, were treated with the amount of reagent needed to release one of the two H2A.H2B dimers. Radioactivity was equally distributed between residual particles and released proteins, which is consistent with equivalent binding sites in the nucleosomal particle for H2A.H2B dimers, rather than with intrinsically different sites. The asymmetric release of H2A.H2B dimers would be caused by a change in the binding site of one dimer following the release of the other. This behavior might be related to the structural dynamics of nucleosomes

  2. Co3(PO42·4H2O

    Directory of Open Access Journals (Sweden)

    Yang Kim

    2008-10-01

    Full Text Available Single crystals of Co3(PO42·4H2O, tricobalt(II bis[orthophosphate(V] tetrahydrate, were obtained under hydrothermal conditions. The title compound is isotypic with its zinc analogue Zn3(PO42·4H2O (mineral name hopeite and contains two independent Co2+ cations. One Co2+ cation exhibits a slightly distorted tetrahedral coordination, while the second, located on a mirror plane, has a distorted octahedral coordination environment. The tetrahedrally coordinated Co2+ is bonded to four O atoms of four PO43− anions, whereas the six-coordinate Co2+ is cis-bonded to two phosphate groups and to four O atoms of four water molecules (two of which are located on mirror planes, forming a framework structure. In addition, hydrogen bonds of the type O—H...O are present throughout the crystal structure.

  3. Radiative association of CH3(+) and H2

    International Nuclear Information System (INIS)

    Bates, D.R.

    1985-01-01

    The temperature variation of the rate coefficient for k(1) for CH3(+) + H2 yields CH5(+) + hv is computed treating the para and ortho forms of H2 separately, taking account of nuclear spin and using an accurate theory of the kinetics of association. The results are made absolute with the aid of the measurement at 13 K by Barlow et al. (1984). By combining this measurement with the CH5(+) vibrational frequencies obtained by Pople (1984) from a quantal study, it is deduced that the probability of the stabilizing radiative transition is 5400/s. The rate coefficients k(1) (T, para) and k(1) (T, ortho) are given at 13 K, 30 K, and 80 K. 23 references

  4. H2 as a Possible Carrier of the DIBs?

    Science.gov (United States)

    Ubachs, W.

    2014-02-01

    In the 1990s the hydrogen molecule, by far the most abundant molecular species in the interstellar medium, has been proposed as a possible carrier of the diffuse interstellar bands. While some remarkable coincidences were found in the rich spectrum of inter-Rydberg transitions of this molecule with DIB-features, both in frequency position as in linewidth, some open issues remained on a required non-linear optical pumping scheme that should explain the population of certain intermediate levels and act as a selection mechanism. Recently a similar scheme has been proposed relating the occurrence of the UV-bump (the ubiquitous 2170 Å extinction feature) to the spectrum of H2, therewith reviving the H2 hypothesis.

  5. Communication: Reactivity borrowing in the mode selective chemistry of H + CHD3 → H2 + CD3

    Science.gov (United States)

    Ellerbrock, Roman; Manthe, Uwe

    2017-12-01

    Quantum state-resolved reaction probabilities for the H + CHD3 → H2 + CD3 reaction are calculated by accurate full-dimensional quantum dynamics calculations using the multi-layer multi-configurational time-dependent Hartree approach and the quantum transition state concept. Reaction probabilities of various ro-vibrational states of the CHD3 reactant are investigated for vanishing total angular momentum. While the reactivity of the different vibrational states of CHD3 mostly follows intuitive patterns, an unusually large reaction probability is found for CHD3 molecules triply excited in the CD3 umbrella-bending vibration. This surprising reactivity can be explained by a Fermi resonance-type mixing of the single CH-stretch excited and the triple CD3 umbrella-bend excited vibrational states of CHD3. These findings show that resonant energy transfer can significantly affect the mode-selective chemistry of CHD3 and result in counter-intuitive reactivity patterns.

  6. Quasimolecular autoionization in the collisions He+ - He, H2

    International Nuclear Information System (INIS)

    Ogurtsov, G.N.; Krupyshev, A.G.; Gordeev, Yu.S.

    1993-01-01

    Data on the autoionization transition level width dependence Γ(R) for He + - He, He + - H 2 pairs are obtained. Data on the probability of autoionization transition in a three-atom quasimolecule are obtained for the first time. It is shown that Γ(R) values for He + - He 2 quasimolecule exceed notably the similar values for isoelectron He + - He quasimolecule and may reach ∼ 1 eV. 6 refs., 2 figs

  7. H 2 guaranteed cost control of discrete linear systems

    Directory of Open Access Journals (Sweden)

    Colmenares W.

    2000-01-01

    Full Text Available This paper presents necessary and sufficient conditions for the existence of a quadratically stabilizing output feedback controller which also assures H 2 guaranteed cost performance on a discrete linear uncertain system where the uncertainty is of the norm bounded type. The conditions are presented as a collection of linear matrix inequalities.The solution, however requires a search over a scalar parameter space.

  8. Pb-H2O Thermogravimetric Plants. The Rankine Cycle

    International Nuclear Information System (INIS)

    Arosio, S.; Carlevaro, R.

    2000-01-01

    An economic evaluation concerning Pb-H 2 O thermogravimetric systems with an electric power in the range 200-1.000 kW has been done. Moreover, plant and running costs for a thermogravimetric and a Rankine cycle, 1 MW power, have been compared. Basically due to the lead charge, the plant cost of the former is higher: nevertheless such amount can be recuperated in less than three years, being higher the running cost of the latter [it

  9. Membranes for H2 generation from nuclear powered thermochemical cycles

    International Nuclear Information System (INIS)

    Nenoff, Tina Maria; Ambrosini, Andrea; Garino, Terry J.; Gelbard, Fred; Leung, Kevin; Navrotsky, Alexandra; Iyer, Ratnasabapathy G.; Axness, Marlene

    2006-01-01

    In an effort to produce hydrogen without the unwanted greenhouse gas byproducts, high-temperature thermochemical cycles driven by heat from solar energy or next-generation nuclear power plants are being explored. The process being developed is the thermochemical production of Hydrogen. The Sulfur-Iodide (SI) cycle was deemed to be one of the most promising cycles to explore. The first step of the SI cycle involves the decomposition of H 2 SO 4 into O 2 , SO 2 , and H 2 O at temperatures around 850 C. In-situ removal of O 2 from this reaction pushes the equilibrium towards dissociation, thus increasing the overall efficiency of the decomposition reaction. A membrane is required for this oxygen separation step that is capable of withstanding the high temperatures and corrosive conditions inherent in this process. Mixed ionic-electronic perovskites and perovskite-related structures are potential materials for oxygen separation membranes owing to their robustness, ability to form dense ceramics, capacity to stabilize oxygen nonstoichiometry, and mixed ionic/electronic conductivity. Two oxide families with promising results were studied: the double-substituted perovskite A x Sr 1-x Co 1-y B y O 3-δ (A=La, Y; B=Cr-Ni), in particular the family La x Sr 1-x Co 1-y Mn y O 3-δ (LSCM), and doped La 2 Ni 1-x M x O 4 (M = Cu, Zn). Materials and membranes were synthesized by solid state methods and characterized by X-ray and neutron diffraction, SEM, thermal analyses, calorimetry and conductivity. Furthermore, we were able to leverage our program with a DOE/NE sponsored H 2 SO 4 decomposition reactor study (at Sandia), in which our membranes were tested in the actual H 2 SO 4 decomposition step

  10. Non-adiabatic generator-coordinate calculation of H2+

    International Nuclear Information System (INIS)

    Tostes, J.G.R.; Para Univ., Belem; Toledo Piza, A.F.R. de

    1982-10-01

    A non-adiabatic calculation of the few lowest J=O states in the H 2+ molecule done within the framework of the Generator Coordinate Method is reported. Substantial accuracy is achivied with the diagonalization of matrices of very modest dimensions. The resulting wavefunctions are strongly dominated by just a few basis states. The computational scheme is set up so as to take the best advantage of good analytical approximations to existing adiabatic molecular wavefunctions. (Author) [pt

  11. Periodic H-2 Synthesis for Spacecraft Attitude Control with Magnetometers

    DEFF Research Database (Denmark)

    Wisniewski, Rafal; Stoustrup, Jakob

    2004-01-01

    between the Earth´s magnetic field and an artificial magnetic field generated by the coils produces a control torque. The magnetic attitude control is intrinsically periodic due to cyclic variation of the geomagnetic field in orbit. The control performance is specified by the generalized H2 operator norm....... A linear matrix inequality-based algorithm is proposed for attitude control synthesis. Simulation results are provided, showing the prospect of the concept for onboard implementation....

  12. Graphene oxide and H2 production from bioelectrochemical graphite oxidation.

    Science.gov (United States)

    Lu, Lu; Zeng, Cuiping; Wang, Luda; Yin, Xiaobo; Jin, Song; Lu, Anhuai; Jason Ren, Zhiyong

    2015-11-17

    Graphene oxide (GO) is an emerging material for energy and environmental applications, but it has been primarily produced using chemical processes involving high energy consumption and hazardous chemicals. In this study, we reported a new bioelectrochemical method to produce GO from graphite under ambient conditions without chemical amendments, value-added organic compounds and high rate H2 were also produced. Compared with abiotic electrochemical electrolysis control, the microbial assisted graphite oxidation produced high rate of graphite oxide and graphene oxide (BEGO) sheets, CO2, and current at lower applied voltage. The resultant electrons are transferred to a biocathode, where H2 and organic compounds are produced by microbial reduction of protons and CO2, respectively, a process known as microbial electrosynthesis (MES). Pseudomonas is the dominant population on the anode, while abundant anaerobic solvent-producing bacteria Clostridium carboxidivorans is likely responsible for electrosynthesis on the cathode. Oxygen production through water electrolysis was not detected on the anode due to the presence of facultative and aerobic bacteria as O2 sinkers. This new method provides a sustainable route for producing graphene materials and renewable H2 at low cost, and it may stimulate a new area of research in MES.

  13. Intermolecular Interactions in Ternary Glycerol–Sample–H2O

    DEFF Research Database (Denmark)

    Westh, Peter; Rasmussen, Erik Lumby; Koga, Yoshikata

    2011-01-01

    We studied the intermolecular interactions in ternary glycerol (Gly)–sample (S)–H2O systems at 25 °C. By measuring the excess partial molar enthalpy of Gly, HGlyEHEGly, we evaluated the Gly–Gly enthalpic interaction, HGly-GlyEHEGly--Gly, in the presence of various samples (S). For S, tert...... little effect on HGly-GlyEHEGly--Gly. This contrasts with our earlier studies on 1P–S–H2O in that Na+, F− and Cl− are found as hydration centers from the induced changes on HIP-IPEHEIP--IP in the presence of S, while Br−, I−, and SCN− are found to act as hydrophiles. In comparison with the Hofmeister...... ranking of these ions, the kosmotropes are hydration centers and the more kosmotropic the higher the hydration number, consistent with the original Hofmeister’s concept of “H2O withdrawing power.” Br−, I− and SCN−, on the other hand, acted as hydrophiles and the more chaotropic they are the more...

  14. A SIFT study of the reactions of H2ONO+ ions with several types of organic molecules

    Science.gov (United States)

    Smith, David; Wang, Tianshu; Spanel, Patrik

    2003-11-01

    A selected ion flow tube (SIFT) study has been carried out of the reactions of hydrated nitrosonium ions, NO+H2O, which theory has equated to protonated nitrous acid ions, H2ONO+. One objective of this study was to investigate if this ion exhibits the properties of both a cluster ion and a protonated acid in their reactions with a variety of organic molecules. The chosen reactant molecules comprise two each of the following types--amines, terpenes, aromatic hydrocarbons, esters, carboxylic acids, ketones, aldehydes and alcohols. The reactant H2ONO+ (NO+H2O) ions are formed in a discharge ion source and injected into helium carrier gas where they are partially vibrationally excited and partially dissociated to NO+ ions. Hence, the reactions of the H2ONO+ ions had to be studies simultaneously with NO+ ions, the reactions of the latter ions readily being studied by selectively injecting NO+ ions into the carrier gas. The results of this study indicate that the H2ONO+ ions undergo a wide variety of reaction processes that depend on the properties of the reactant molecules such as their ionisation energies and proton affinities. These processes include charge transfer with compounds, M, that have low ionisation energies (producing M+), proton transfer with compounds possessing large proton affinities (MH+), hydride ion transfer (M---H+), alkyl radical (M---R+), alkoxide radical transfer (M---OR+), ion-molecule association (NO+H2OM) and ligand switching (NO+M), producing the ions given in parentheses.

  15. Measurement and Simulation of Spontaneous Raman Scattering Spectra in High-Pressure, Fuel-Rich H2-Air Flames

    Science.gov (United States)

    Kojima, Jun; Nguyen, Quang-Viet

    2003-01-01

    Rotational vibrational spontaneous Raman spectra (SRS) of H2, N2, and H2O have been measured in H2-air flames at pressures up to 30 atm as a first stem towards establishing a comprehensive Raman spectral database for temperatures and species in high-pressure combustion. A newly developed high-pressure burner facility provides steady, reproducible flames with a high degree of flow precision. We have obtained an initial set of measurements that indicate the spectra are of sufficient quality in terms of spectral resolution, wavelength coverage, and signal-to-noise ratio for use in future reference standards. The fully resolved Stokes and anti-Stokes shifted SRS spectra were collected in the visible wavelength range (400-700 nm) using pulse-stretched 532 nm excitation and a non-intensified CCD spectrograph with a high-speed shutter. Reasonable temperatures were determined via the intensity distribution of rotational H2 lines at stoichiometry and fuel-rich conditions. Theoretical Raman spectra of H2 were computed using a semi-classical harmonic-oscillator model with recent pressure broadening data and were compared with experimental results. The data and simulation indicated that high-J rotational lines of H2 might interfere with the N2 vibrational Q-branch lines, and this could lead to errors in N2-Raman thermometry based on the line-fitting method. From a comparison of N2 Q-branch spectra in lean H2 low-pressure (1.2 atm) and high-pressure (30 atm) flames, we found no significant line-narrowing or -broadening effects at the current spectrometer resolution of 0.04 nm.

  16. Binding of Signal Recognition Particle Gives Ribosome/Nascent Chain Complexes a Competitive Advantage in Endoplasmic Reticulum Membrane Interaction

    Science.gov (United States)

    Neuhof, Andrea; Rolls, Melissa M.; Jungnickel, Berit; Kalies, Kai-Uwe; Rapoport, Tom A.

    1998-01-01

    Most secretory and membrane proteins are sorted by signal sequences to the endoplasmic reticulum (ER) membrane early during their synthesis. Targeting of the ribosome-nascent chain complex (RNC) involves the binding of the signal sequence to the signal recognition particle (SRP), followed by an interaction of ribosome-bound SRP with the SRP receptor. However, ribosomes can also independently bind to the ER translocation channel formed by the Sec61p complex. To explain the specificity of membrane targeting, it has therefore been proposed that nascent polypeptide-associated complex functions as a cytosolic inhibitor of signal sequence- and SRP-independent ribosome binding to the ER membrane. We report here that SRP-independent binding of RNCs to the ER membrane can occur in the presence of all cytosolic factors, including nascent polypeptide-associated complex. Nontranslating ribosomes competitively inhibit SRP-independent membrane binding of RNCs but have no effect when SRP is bound to the RNCs. The protective effect of SRP against ribosome competition depends on a functional signal sequence in the nascent chain and is also observed with reconstituted proteoliposomes containing only the Sec61p complex and the SRP receptor. We conclude that cytosolic factors do not prevent the membrane binding of ribosomes. Instead, specific ribosome targeting to the Sec61p complex is provided by the binding of SRP to RNCs, followed by an interaction with the SRP receptor, which gives RNC–SRP complexes a selective advantage in membrane targeting over nontranslating ribosomes. PMID:9436994

  17. Does Ethicality Wane with Adulthood? A Study of the Ethical Values of Entrepreneurship Students and Nascent Entrepreneurs

    Science.gov (United States)

    Lourenço, Fernando; Sappleton, Natalie; Cheng, Ranis

    2015-01-01

    The authors examined the following questions: Does gender influence the ethicality of enterprise students to a greater extent than it does nascent entrepreneurs? If this is the case, then is it due to factors associated with adulthood such as age, work experience, marital status, and parental status? Sex-role socialization theory and moral…

  18. Mode Specific Electronic Friction in Dissociative Chemisorption on Metal Surfaces: H2 on Ag(111)

    Science.gov (United States)

    Maurer, Reinhard J.; Jiang, Bin; Guo, Hua; Tully, John C.

    2017-06-01

    Electronic friction and the ensuing nonadiabatic energy loss play an important role in chemical reaction dynamics at metal surfaces. Using molecular dynamics with electronic friction evaluated on the fly from density functional theory, we find strong mode dependence and a dominance of nonadiabatic energy loss along the bond stretch coordinate for scattering and dissociative chemisorption of H2 on the Ag(111) surface. Exemplary trajectories with varying initial conditions indicate that this mode specificity translates into modulated energy loss during a dissociative chemisorption event. Despite minor nonadiabatic energy loss of about 5%, the directionality of friction forces induces dynamical steering that affects individual reaction outcomes, specifically for low-incidence energies and vibrationally excited molecules. Mode-specific friction induces enhanced loss of rovibrational rather than translational energy and will be most visible in its effect on final energy distributions in molecular scattering experiments.

  19. Level population and para/ortho ratio of fluorescent H2 in NGC 2023

    International Nuclear Information System (INIS)

    Hasegawa, T.; Ohishi, M.; Gatley, I.; Garden, R.P.; Brand, P.W.J.L.; Edinburgh Royal Observatory, England; Edinburgh Univ., Scotland)

    1987-01-01

    Observations of NGC 2023 and of peak 1 of Ori KL, obtained at 2.03-2.39 microns using the circular variable filter and a Fabry-Perot interferometer (spectral resolution 100 km/s) on the 3.8-m UKIRT on December 28-29, 1985, are reported. The data are presented in tables and graphs and characterized. Ten lines of vibrationally excited H2, indicating vibrational temperature Tv = 3600 K and rotational temperature Tr = 900-1500 K, are observed, and the para/ortho ratio is estimated as 1/(1.4-2.0). The corresponding values for Ori KL are found to be Tr = Tv = 1600-3300 K and para/ortho = 1/3. 20 references

  20. Double-Exponentially Decayed Photoionization in CREI Effect: Numerical Experiment on 3D H2+

    International Nuclear Information System (INIS)

    Feng, Li; Ting-Ying, Wang; Gui-Zhong, Zhang; Wang-Hua, Xiang; III, W. T. Hill

    2008-01-01

    On the platform of the 3D H 2 + system, we perform a numerical simulation of its photoionization rate under excitation of weak to intense laser intensities with varying pulse durations and wavelengths. A novel method is proposed for calculating the photoionization rate: a double exponential decay of ionization probability is best suited for fitting this rate. Confirmation of the well-documented charge-resonance-enhanced ionization (CREI) effect at medium laser intensity and finding of ionization saturation at high light intensity corroborate the robustness of the suggested double-exponential decay process. Surveying the spatial and temporal variations of electron wavefunctions uncovers a mechanism for the double-exponentially decayed photoionization probability as onset of electron ionization along extra degree of freedom. Henceforth, the new method makes clear the origins of peak features in photoionization rate versus internuclear separation. It is believed that this multi-exponentially decayed ionization mechanism is applicable to systems with more degrees of motion

  1. Ortho-H2 and the age of prestellar cores

    Science.gov (United States)

    Pagani, L.; Lesaffre, P.; Jorfi, M.; Honvault, P.; González-Lezana, T.; Faure, A.

    2013-03-01

    Prestellar cores form from the contraction of cold gas and dust material in dark clouds before they collapse to form protostars. Several concurrent theories exist to describe this contraction but they are currently difficult to distinguish. One major difference is the timescale involved in forming the prestellar cores: some theories advocate nearly free-fall speed via, e.g., rapid turbulence decay, while others can accommodate much longer periods to let the gas accumulate via, e.g., ambipolar diffusion. To tell the difference between these theories, measuring the age of prestellar cores could greatly help. However, no reliable clock currently exists. We present a simple chemical clock based on the regulation of the deuteration by the abundance of ortho-H2 that slowly decays away from the ortho-para statistical ratio of 3 down to or less than 0.001. We use a chemical network fully coupled to a hydrodynamical model that follows the contraction of a cloud, starting from uniform density, and reaches a density profile typical of a prestellar core. We compute the N2D+/N2H+ ratio along the density profile. The disappearance of ortho-H2 is tied to the duration of the contraction and the N2D+/N2H+ ratio increases in the wake of the ortho-H2 abundance decrease. By adjusting the time of contraction, we obtain different deuteration profiles that we can compare to the observations. Our model can test fast contractions (from 104 to 106 cm-3 in ~0.5 My) and slow contractions (from 104 to 106 cm-3 in ~5 My). We have tested the sensitivity of the models to various initial conditions. The slow-contraction deuteration profile is approximately insensitive to these variations, while the fast-contraction deuteration profile shows significant variations. We found that, in all cases, the deuteration profile remains clearly distinguishable whether it comes from the fast collapse or the slow collapse. We also study the para-D2H+/ortho-H2D+ ratio and find that its variation is not monotonic

  2. Theoretical study of the gas-phase reactions of iodine atoms ((2)P(3/2)) with H(2), H(2)O, HI, and OH.

    Science.gov (United States)

    Canneaux, Sébastien; Xerri, Bertrand; Louis, Florent; Cantrel, Laurent

    2010-09-02

    The rate constants of the reactions of iodine atoms with H(2), H(2)O, HI, and OH have been estimated using 39, 21, 13, and 39 different levels of theory, respectively, and have been compared to the available literature values over the temperature range of 250-2500 K. The aim of this methodological work is to demonstrate that standard theoretical methods are adequate to obtain quantitative rate constants for the reactions involving iodine-containing species. Geometry optimizations and vibrational frequency calculations are performed using three methods (MP2, MPW1K, and BHandHLYP) combined with three basis sets (cc-pVTZ, cc-pVQZ, and 6-311G(d,p)). Single-point energy calculations are performed with the highly correlated ab initio coupled cluster method in the space of single, double, and triple (pertubatively) electron excitations CCSD(T) using the cc-pVnZ (n = T, Q, and 5), aug-cc-pVnZ (n = T, Q, and 5), 6-311G(d,p), 6-311+G(3df,2p), and 6-311++G(3df,3pd) basis sets. Canonical transition state theory with a simple Wigner tunneling correction is used to predict the rate constants as a function of temperature. CCSD(T)/cc-pVnZ//MP2/cc-pVTZ (n = T and Q), CCSD(T)/6-311+G(3df,2p)//MP2/6-311G(d,p), and CCSD(T)/6-311++G(3df,3pd)//MP2/6-311G(d,p) levels of theory provide accurate kinetic rate constants when compared to available literature data. The use of the CCSD(T)/cc-pVQZ//MP2/cc-pVTZ and CCSD(T)/6-311++G(3df,3pd) levels of theory allows one to obtain a better agreement with the literature data for all reactions with the exception of the I + H(2) reaction R(1) . This computational procedure has been also used to predict rate constants for some reactions where no available experimental data exist. The use of quantum chemistry tools could be therefore extended to other elements and next applied to develop kinetic networks involving various fission products, steam, and hydrogen in the absence of literature data. The final objective is to implement the kinetics of gaseous

  3. Effects of H2O and H2O2 on thermal desorption of tritium from stainless steel

    International Nuclear Information System (INIS)

    Quinlan, M. J.; Shmayda, W. T.; Lim, S.; Salnikov, S.; Chambers, Z.; Pollock, E.; Schroeder, W. U.

    2008-01-01

    Tritiated stainless steel was subjected to thermal desorption at various temperatures, different temperature profiles, and in the presence of different helium carrier gas additives. In all cases the identities of the desorbing tritiated species were characterized as either water-soluble or insoluble. The samples were found to contain 1.1 mCi±0.4 mCi. Approximately ninety-five percent of this activity was released in molecular water-soluble form. Additives of H 2 O or H 2 O 2 to dry helium carrier gas increase the desorption rate and lower the maximum temperature to which the sample must be heated, in order to remove the bulk of the tritium. The measurements validate a method of decontamination of tritiated steel and suggest a technique that can be used to further explore the mechanisms of desorption from tritiated metals. (authors)

  4. Mesospheric H2O and H2O2 densities inferred from in situ positive ion composition measurement

    Science.gov (United States)

    Kopp, E.

    1984-01-01

    A model for production and loss of oxonium ions in the high-latitude D-region is developed, based on the observed excess of 34(+) which has been interpreted as H2O2(+). The loss mechanism suggested in the study is the attachment of N2 and/or CO2 in three-body reactions. Furthermore, mesospheric water vapor and H2O2 densities are inferred from measurements of four high-latitude ion compositions, based on the oxonium model. Mixing ratios of hydrogen peroxide of up to two orders of magnitude higher than previous values were obtained. A number of reactions, reaction constants, and a block diagram of the oxonium ion chemistry in the D-region are given.

  5. Vibrational excitation of D2 by low energy electrons

    International Nuclear Information System (INIS)

    Buckman, S.J.; Phelps, A.V.

    1985-01-01

    Excitation coefficients for the production of vibrationally exicted D 2 by low energy electrons have been determined from measurements of the intensity of infrared emission from mixtures of D 2 and small concentrations of CO 2 or CO. The measurements were made using the electron drift tube technique and covered electric field to gas density ratios (E/n) from (5 to 80) x 10 -21 V m 2 , corresponding to mean electron energies between 0.45 and 4.5 eV. The CO 2 and CO concentrations were chosen to allow efficient excitation transfer from the D 2 to the carbon containing molecule, but to minimize direct excitation of the CO 2 or CO. The measured infrared intensities were normalized to predicted values for N 2 --CO 2 and N 2 --CO mixtures at E/n where the efficiency of vibrational excitation is known to be very close to 100%. The experimental excitation coefficients are in satisfactory agreement with predictions based on electron--D 2 cross sections at mean electron energies below 1 eV, but are about 50% too high at mean energies above about 2 eV. Application of the technique to H 2 did not yield useful vibrational excitation coefficients. The effective coefficients in H 2 --CO 2 mixtures were a factor of about 3 times the predicted values. For our H 2 --CO mixtures the excitation of CO via excitation transfer from H 2 is small compared to direct electron excitation of CO molecules. Published experiments and theories on electron--H 2 and electron--D 2 collisions are reviewed to obtain the cross sections used in the predictions

  6. Quantum Mechanical Determination of Potential Energy Surfaces for TiO and H2O

    Science.gov (United States)

    Langhoff, Stephen R.

    1996-01-01

    We discuss current ab initio methods for determining potential energy surfaces, in relation to the TiO and H2O molecules, both of which make important contributions to the opacity of oxygen-rich stars. For the TiO molecule we discuss the determination of the radiative lifetimes of the excited states and band oscillator strengths for both the triplet and singlet band systems. While the theoretical radiative lifetimes for TiO agree well with recent measurements, the band oscillator strengths differ significantly from those currently employed in opacity calculations. For the H2O molecule we discuss the current results for the potential energy and dipole moment ground state surfaces generated at NASA Ames. We show that it is necessary to account for such effects as core-valence Correlation energy to generate a PES of near spectroscopic accuracy. We also describe how we solve the ro-vibrational problem to obtain the line positions and intensities that are needed for opacity sampling.

  7. H2+ embedded in a Debye plasma: Electronic and vibrational properties

    International Nuclear Information System (INIS)

    Angel, M.L.; Montgomery, H.E.

    2011-01-01

    The effect of plasma screening on the electronic and vibrational properties of the H 2 + molecular ion was analyzed within the Born-Oppenheimer approximation. When a molecule is embedded in a plasma, the plasma screens the electrostatic interactions. This screening is accounted in the Schroedinger equation by replacing the Coulomb potentials with Yukawa potentials that incorporate the Debye length as a screening parameter. Variational expansions in confocal elliptical coordinates were used to calculate energies of the 1sσ g and 2pσ u states over a range of Debye lengths and bond distances. When the Debye length is comparable to the equilibrium bond distance, the dissociation energy is reduced while the equilibrium internuclear separation is increased. Expectation values, static dipole polarizabilities and spectroscopic constants were calculated for the 1sσ g state. - Highlights: → Effect of plasma screening on the properties of the H 2 + molecular ion. → Used a variational wavefunction in confocal elliptical coordinates. → Potential energy curves for the ground and first excited state are presented. → Decreasing Debye length increases polarizability of the electron distribution.

  8. State-to-state photodissociation dynamics of triatomic molecules: H2O in the B band

    International Nuclear Information System (INIS)

    Jiang Bin; Xie Daiqian; Guo Hua

    2012-01-01

    State-to-state photodissociation dynamics of H 2 O in its B band has been investigated quantum mechanically on a new set of non-adiabatically coupled potential energy surfaces for the lowest two 1 A' states of H 2 O, which are developed at the internally contracted multi-reference configuration interaction level with the aug-cc-pVQZ basis set. Quantum dynamical calculations carried out using the Chebyshev propagator yield absorption spectra, product state distributions, branching ratios, and differential cross sections, which are in reasonably good agreement with the latest experimental results. Particular focus is placed here on the dependence of various dynamical observables on the photon energy. Detailed analyses of the dynamics have assigned the diffuse structure in absorption spectrum to short-time recurring dynamics near the HOH conical intersection. The non-adiabatic dissociation to the ground state OH product via the HOH conical intersection is facile, direct, fast, and produces rotationally hot OH(X-tilde) products. On the other hand, the adiabatic channel on the excited state leading to the OH(A-tilde) product is dominated by long-lived resonances, which depend sensitively on the potential energy surfaces.

  9. Designing a hand rest tremor dynamic vibration absorber using H2 optimization method

    International Nuclear Information System (INIS)

    Rahnavard, Mostafa; Dizaji, Ahmad F.; Hashemi, Mojtaba; Faramand, Farzam

    2014-01-01

    An optimal single DOF dynamic absorber is presented. A tremor has a random nature and then the system is subjected to a random excitation instead of a sinusoidal one; so the H 2 optimization criterion is probably more desirable than the popular H ∞ optimization method and was implemented in this research. The objective of H 2 optimization criterion is to reduce the total vibration energy of the system for overall frequencies. An objective function, considering the elbow joint angle, θ 2 , tremor suppression as the main goal, was selected. The optimization was done by minimization of this objective function. The optimal system, including the absorber, performance was analyzed in both time and frequency domains. Implementing the optimal absorber, the frequency response amplitude of θ 2 was reduced by more than 98% and 80% at the first and second natural frequencies of the primary system, respectively. A reduction of more than 94% and 78%, was observed for the shoulder joint angle, θ 1 . The objective function also decreased by more than 46%. Then, two types of random inputs were considered. For the first type, θ 1 and θ 2 revealed 60% and 39% reduction in their rms values, whereas for the second type, 33% and 50% decrease was observed.

  10. The H2 robotic exoskeleton for gait rehabilitation after stroke: early findings from a clinical study.

    Science.gov (United States)

    Bortole, Magdo; Venkatakrishnan, Anusha; Zhu, Fangshi; Moreno, Juan C; Francisco, Gerard E; Pons, Jose L; Contreras-Vidal, Jose L

    2015-06-17

    Stroke significantly affects thousands of individuals annually, leading to considerable physical impairment and functional disability. Gait is one of the most important activities of daily living affected in stroke survivors. Recent technological developments in powered robotics exoskeletons can create powerful adjunctive tools for rehabilitation and potentially accelerate functional recovery. Here, we present the development and evaluation of a novel lower limb robotic exoskeleton, namely H2 (Technaid S.L., Spain), for gait rehabilitation in stroke survivors. H2 has six actuated joints and is designed to allow intensive overground gait training. An assistive gait control algorithm was developed to create a force field along a desired trajectory, only applying torque when patients deviate from the prescribed movement pattern. The device was evaluated in 3 hemiparetic stroke patients across 4 weeks of training per individual (approximately 12 sessions). The study was approved by the Institutional Review Board at the University of Houston. The main objective of this initial pre-clinical study was to evaluate the safety and usability of the exoskeleton. A Likert scale was used to measure patient's perception about the easy of use of the device. Three stroke patients completed the study. The training was well tolerated and no adverse events occurred. Early findings demonstrate that H2 appears to be safe and easy to use in the participants of this study. The overground training environment employed as a means to enhance active patient engagement proved to be challenging and exciting for patients. These results are promising and encourage future rehabilitation training with a larger cohort of patients. The developed exoskeleton enables longitudinal overground training of walking in hemiparetic patients after stroke. The system is robust and safe when applied to assist a stroke patient performing an overground walking task. Such device opens the opportunity to study means

  11. Retention and variability of hydrogen (H2) samples stored in plastic syringes

    DEFF Research Database (Denmark)

    Rumessen, J J; Gudmand-Høyer, E

    1987-01-01

    The utility of two brands of 20 ml plastic syringes for storage of hydrogen (H2) samples as obtained in H2 breath tests were studied. Plastipak syringes were found to be significantly better with regard to the stability of the H2 concentration and the variability between the H2 samples. Storage...... of the H2 samples in Plastipak syringes at 5 degrees C significantly improved the H2 retention, whereas refrigeration of H2 samples stored in Once syringes did not reduce H2 loss. Storage of H2 samples in refrigerated plastic syringes is efficient and reliable for several days if syringes with minimal...... sample variation are used....

  12. Capture and dissociation in the complex-forming CH + H2 → CH2 + H, CH + H2 reactions.

    Science.gov (United States)

    González, Miguel; Saracibar, Amaia; Garcia, Ernesto

    2011-02-28

    The rate coefficients for the capture process CH + H(2)→ CH(3) and the reactions CH + H(2)→ CH(2) + H (abstraction), CH + H(2) (exchange) have been calculated in the 200-800 K temperature range, using the quasiclassical trajectory (QCT) method and the most recent global potential energy surface. The reactions, which are of interest in combustion and in astrochemistry, proceed via the formation of long-lived CH(3) collision complexes, and the three H atoms become equivalent. QCT rate coefficients for capture are in quite good agreement with experiments. However, an important zero point energy (ZPE) leakage problem occurs in the QCT calculations for the abstraction, exchange and inelastic exit channels. To account for this issue, a pragmatic but accurate approach has been applied, leading to a good agreement with experimental abstraction rate coefficients. Exchange rate coefficients have also been calculated using this approach. Finally, calculations employing QCT capture/phase space theory (PST) models have been carried out, leading to similar values for the abstraction rate coefficients as the QCT and previous quantum mechanical capture/PST methods. This suggests that QCT capture/PST models are a good alternative to the QCT method for this and similar systems.

  13. Relationship between C2H2 reduction, H2 evolution and 15N2 fixation in root nodules of pea (Pisum sativum)

    DEFF Research Database (Denmark)

    Skøt, Leif

    1983-01-01

    for N2 reduction, is often stated as the relative efficiency (1-H2/C2H2). This factor varied significantly (P 2 and N2, expressed as the H2/N2 ratio, was independent of plant age, however. This discrepancy and the observation......The quantitative relationship between C2H2 reduction, H2 evolution and 15N2 fixation was investigated in excised root nodules from pea plants (Pisum sativum L. cv. Bodil) grown under controlled conditions. The C2H2/N2 conversion factor varied from 3.31 to 5.12 between the 32nd and the 67th day...... after planting. After correction for H2 evolution in air, the factor (C2H2-H2)/N2 decreased to values near the theoretical value 3, or in one case to a value significantly (P 2 production but used...

  14. Origin of the ESR spectrum in the Prussian blue analog RbMn[Fe(CN)(6)]center dot H2O

    NARCIS (Netherlands)

    Antal, A.; Janossy, A.; Forro, L.; Vertelman, E. J. M.; van Koningsbruggen, P. J.; van Loosdrecht, P. H. M.

    2010-01-01

    We present an electron spin resonance (ESR) study at excitation frequencies of 9.4 and 222.4 GHz of powders and single crystals of a Prussian blue analog (PBA), RbMn[Fe(CN)(6)]center dot H2O in which Fe and Mn undergoes a charge-transfer transition between 175 and 300 K. The ESR of PBA powders, also

  15. Water in star-forming regions with Herschel (WISH) : IV. A survey of low-J H2O line profiles toward high-mass protostars

    NARCIS (Netherlands)

    van der Tak, F. F. S.; Chavarria, L.; Herpin, F.; Wyrowski, F.; Walmsley, C. M.; van Dishoeck, E. F.; Benz, A. O.; Bergin, E. A.; Caselli, P.; Hogerheijde, M. R.; Johnstone, D.; Kristensen, L. E.; Liseau, R.; Nisini, B.; Tafalla, M.

    Context. Water is a key constituent of star-forming matter, but the origin of its line emission and absorption during high-mass star formation is not well understood. Aims. We study the velocity profiles of low-excitation H2O lines toward 19 high-mass star-forming regions and search for trends with

  16. Ultrafast phosphate hydration dynamics in bulk H2O

    International Nuclear Information System (INIS)

    Costard, Rene; Tyborski, Tobias; Fingerhut, Benjamin P.; Elsaesser, Thomas

    2015-01-01

    Phosphate vibrations serve as local probes of hydrogen bonding and structural fluctuations of hydration shells around ions. Interactions of H 2 PO 4 − ions and their aqueous environment are studied combining femtosecond 2D infrared spectroscopy, ab-initio calculations, and hybrid quantum-classical molecular dynamics (MD) simulations. Two-dimensional infrared spectra of the symmetric (ν S (PO 2 − )) and asymmetric (ν AS (PO 2 − )) PO 2 − stretching vibrations display nearly homogeneous lineshapes and pronounced anharmonic couplings between the two modes and with the δ(P-(OH) 2 ) bending modes. The frequency-time correlation function derived from the 2D spectra consists of a predominant 50 fs decay and a weak constant component accounting for a residual inhomogeneous broadening. MD simulations show that the fluctuating electric field of the aqueous environment induces strong fluctuations of the ν S (PO 2 − ) and ν AS (PO 2 − ) transition frequencies with larger frequency excursions for ν AS (PO 2 − ). The calculated frequency-time correlation function is in good agreement with the experiment. The ν(PO 2 − ) frequencies are mainly determined by polarization contributions induced by electrostatic phosphate-water interactions. H 2 PO 4 − /H 2 O cluster calculations reveal substantial frequency shifts and mode mixing with increasing hydration. Predicted phosphate-water hydrogen bond (HB) lifetimes have values on the order of 10 ps, substantially longer than water-water HB lifetimes. The ultrafast phosphate-water interactions observed here are in marked contrast to hydration dynamics of phospholipids where a quasi-static inhomogeneous broadening of phosphate vibrations suggests minor structural fluctuations of interfacial water

  17. Ultrafast phosphate hydration dynamics in bulk H2O

    Science.gov (United States)

    Costard, Rene; Tyborski, Tobias; Fingerhut, Benjamin P.; Elsaesser, Thomas

    2015-06-01

    Phosphate vibrations serve as local probes of hydrogen bonding and structural fluctuations of hydration shells around ions. Interactions of H2PO4- ions and their aqueous environment are studied combining femtosecond 2D infrared spectroscopy, ab-initio calculations, and hybrid quantum-classical molecular dynamics (MD) simulations. Two-dimensional infrared spectra of the symmetric ( ν S ( PO2 - ) ) and asymmetric ( ν A S ( PO2 - ) ) PO 2- stretching vibrations display nearly homogeneous lineshapes and pronounced anharmonic couplings between the two modes and with the δ(P-(OH)2) bending modes. The frequency-time correlation function derived from the 2D spectra consists of a predominant 50 fs decay and a weak constant component accounting for a residual inhomogeneous broadening. MD simulations show that the fluctuating electric field of the aqueous environment induces strong fluctuations of the ν S ( PO2 - ) and ν A S ( PO2 - ) transition frequencies with larger frequency excursions for ν A S ( PO2 - ) . The calculated frequency-time correlation function is in good agreement with the experiment. The ν ( PO2 - ) frequencies are mainly determined by polarization contributions induced by electrostatic phosphate-water interactions. H2PO4-/H2O cluster calculations reveal substantial frequency shifts and mode mixing with increasing hydration. Predicted phosphate-water hydrogen bond (HB) lifetimes have values on the order of 10 ps, substantially longer than water-water HB lifetimes. The ultrafast phosphate-water interactions observed here are in marked contrast to hydration dynamics of phospholipids where a quasi-static inhomogeneous broadening of phosphate vibrations suggests minor structural fluctuations of interfacial water.

  18. A study on a nascent entomopathogenic association between caenorhabditis briggsae and serratia sp.SCBI

    Science.gov (United States)

    Abebe-Akele, Feseha

    Life is inconceivable in the absence of interactions which could be cooperative, antagonistic or neutral. Interactions are in constant flux because on one hand it is often difficult to demarcate where one form of interaction ends and the other begins on the other hand what is cooperative at one point in time could evolve into antagonistic or neutral or vice versa. Thus, organisms, as a consequence of mutation, adaptation and natural selection would inevitably enter into natural associations from which they emerge as mutual partners, inveterate enemies or passive cohabitants. Entomopathogenic nematode (EPN) partnerships are tripartite interactions where a nematode-bacteria symbiont duo attacks a third organism -an insect or insect larva-for the mutual benefit of the attacking partners and the detriment of the insect they invade. All three participants in the interaction---the nematode worms with their symbiont bacteria and the target insect host-are among the most ancient, diverse and abundant species on earth, however, these EPN partnerships are not as common as circumstances would suggest. EPN associations, which are arguably at the peak of evolutionary co adaptations, where two primitive forms of life cooperate to take advantage of a larger species are not only fascinating but immensely important for humans. The biological and molecular mechanisms underlying entomopathogenesis have been studied in great detail for decades for their potential as biological control agents against invasive insects. In spite of intense research in The EPN field, the evolutionary history of EPN associations are largely unknown because there are no known intermediate forms. In this thesis, a nascent EPN partnership is described between Caenorhabditid nematodes and Serratia sp. SCBI. Comparative analysis of this association with other EPNs suggests that crucial aspect of EPN associations may be the ability of partners to co-exist without killing each other and that the end results of

  19. H2O maser flare in Orion A

    International Nuclear Information System (INIS)

    Matveenko, L.I.; Moran, J.M.; Genzel, R.

    1982-01-01

    The flare of H 2 O maser emission in Orion A was observed with the Crimea--Effelsberg and Haystack--Green Bank interferometers in November 1979. Its position is α = 5/sup h/32/sup m/46/sup s/.6 +- 0/sup s/.06, delta = -5 0 24'.28''.7 +- 1'' (1950.0); its radial velocity, 8 km/sec. The asymmetric line profile has a 28-kHz halfwidth. The flare source comprises a 0''.0005 core (T/sub b/ = 5 x 10 16 0 K) embedded in a 0''.005 halo (T/sub b/ = 3 x 10 14 0 K)

  20. An application to H2+ of Laplace type integral transform

    International Nuclear Information System (INIS)

    Primorac, M.; Kovacevic, K.

    1985-01-01

    Laplace type integral transformation (LIT) has been applied to wavefunctions. The effect of the inverse transform is also discussed. LIT wavefunctions are tested in the calculation of the ground-state energy of H 2 + , where the untransformed functions were 1s, 12s, 123s and 1234s-STO. The results presented here show that LIT wavefunctions are applicable in molecular computations. The analytical formulae for two-centre one-electron integrals over LIT wavefunctions are derived by use of a Barnett-Coulson-like expansion of rsub(b)sup(N)(rsub(b)+p)sup(-ν). (orig.)

  1. Hydrogen Learning for Local Leaders – H2L3

    Energy Technology Data Exchange (ETDEWEB)

    Serfass, Patrick [Technology Transition Corporation, Washington, DC (United States)

    2017-03-30

    The Hydrogen Learning for Local Leaders program, H2L3, elevates the knowledge about hydrogen by local government officials across the United States. The program reaches local leaders directly through “Hydrogen 101” workshops and webinar sessions; the creation and dissemination of a unique report on the hydrogen and fuel cell market in the US, covering 57 different sectors; and support of the Hydrogen Student Design Contest, a competition for interdisciplinary teams of university students to design hydrogen and fuel cell systems based on technology that’s currently commercially available.

  2. Testing of irradiated and annealed 15H2MFA materials

    International Nuclear Information System (INIS)

    Gillemot, F.; Uri, G.

    1994-01-01

    A set of surveillance samples made from 15H2MFA material has been studied in the laboratory of AEKI. Miniature notched tensile specimens were cut from some remnants of irradiated and broke surveillance charpy remnants. The Absorbed Specific Fracture Energy (ASFE) was measured on the specimens. A cutting machine and testing technique were elaborated for the measurements. The second part of the Charpy remnants was annealed at 460 deg. C and 490 deg. C for 6-8 hours. The specimens were tested similarity and the results were compared. (author). 5 refs, 9 figs

  3. Submillimeter vibrationally excited water emission from the peculiar red supergiant VY Canis Majoris

    Science.gov (United States)

    Menten, K. M.; Philipp, S. D.; Güsten, R.; Alcolea, J.; Polehampton, E. T.; Brünken, S.

    2006-08-01

    Context: .Vibrationally excited emission from the SiO and H2O molecules probes the innermost circumstellar envelopes of oxygen-rich red giant and supergiant stars. VY CMa is the most prolific known emission source in these molecules. Aims: .Observations were made to search for rotational lines in the lowest vibrationally excited state of H2O. Methods: .The APEX telescope was used for observations of H2O lines at frequencies around 300 GHz. Results: .Two vibrationally excited H2O lines were detected, a third one could not be found. In one of the lines we find evidence for weak maser action, similar to known (sub)millimeter ν2 = 1 lines. We find that the other line's intensity is consistent with thermal excitation by the circumstellar infrared radiation field. Several SiO lines were detected together with the H2O lines.

  4. Measurement of H and H2 populations in-situ in a low-temperature plasma by vacuum-ultraviolet laser-absorption spectroscopy

    International Nuclear Information System (INIS)

    Schlachter, A.S.; Young, A.T.; Stutzin, G.C.; Stearns, J.W.; Doebele, H.G.; Leung, K.N.; Kunkel, W.B.

    1988-12-01

    A new technique, vacuum-ultraviolet laser-absorption spectroscopy, has been developed to quantitatively determine the absolute density of H and H 2 within a plasma. The technique is particularly well suited to measurement in a plasma, where high charged particle and photon background complicate other methods of detection. The high selectivity and sensitivity of the technique allows for the measurement of the rotational-vibrational state distribution of H 2 as well as the translational temperature of the atoms and molecules. The technique has been used to study both pulsed and continuous H/sup /minus// ion-source plasma discharges. H 2 state distributions in a multicusp ''volume'' H/sup /minus// ion- source plasma show a high degree of internal excitation, with levels up to v = 5 and J = 8 being observed. The method is applicable for a very wide range of plasma conditions. Emission measurements from excited states of H are also reported. 17 refs., 9 figs

  5. Towards a hot line list for H2CO: Variational study

    Science.gov (United States)

    Al-Refaie, A. F.; Yurchenko, S. N.; Tennyson, J.; Yachmenev, A.

    2013-09-01

    The goal of the ExoMol project [1] is to produce a molecular line list database with spectroscopic data important in characterising atmospheres of (exo)planets and cool stars. Here we introduce formaldehyde (H2CO) as an addition. Formaldehyde has been detected in interstellar medium. Its spectral characteristics have provided a means of examining the composition of carbon isotopes [2] and to perform densitometry in star forming regions in galaxies [3]. However, there is limited spectral data on formaldehyde at higher vibrational and rotational excitations necessary for modelling high temperature atmospheres of different astronomical bodies such as hot planets and cool stars. As we begin to see the molecule's ever growing involvement in various astrophysical phenomena (that include a recent detection in comets [4]), it makes it vital to have a robust line list over a large range of transitions. This work presents a preliminary ro-vibrational spectra of formaldehyde for elevated temperatures. The line list is computed using the variational ro-vibrational solver TROVE [5] with an empirical potential energy surface [6] and a new ab initio dipole moment surface. To reach high rotational excitations required for high temperature applications, large-scale state-of-the-art variational computations were carried out for fully coupled rotationalvibrational problem. Comparison to the experimental spectra is presented.

  6. Photoionization dynamics of excited molecular states

    International Nuclear Information System (INIS)

    Dehmer, J.L.; O'Halloran, M.A.; Tomkins, F.S.; Dehmer, P.M.; Pratt, S.T.

    1987-01-01

    Resonance Enhanced Multiphoton Ionization (REMPI) utilizes tunable dye lasers to ionize an atom or molecule by first preparing an excited state by multiphoton absorption and then ionizing that state before it can decay. This process is highly selective with respect to both the initial and resonant intermediate states of the target, and it can be extremely sensitive. In addition, the products of the REMPI process can be detected as needed by analyzing the resulting electrons, ions, fluorescence, or by additional REMPI. This points to a number of opportunities for exploring excited state physics and chemistry at the quantum-state-specific level. Here we will first give a brief overview of the large variety of experimental approaches to excited state phenomena made possible by REMPI. Then we will examine in more detail, recent studies of the three photon resonant, four photon (3 + 1) ionization of H 2 via the C 'PI/sup u/ state. Strong non-Franck-Condon behavior in the photoelectron spectra of this nominally simple Rydberg state has led to the examination of a variety of dynamical mechanisms. Of these, the role of doubly excited autoionizing states now seems decisive. Progress on photoelectron studies of autoionizing states in H 2 , excited in a (2 + 1) REMPI process via the E, F 1 Σ/sub g/ + will also be briefly discussed. 26 refs., 7 figs

  7. Gene-specific characterization of human histone H2B by electron capture dissociation.

    Science.gov (United States)

    Siuti, Nertila; Roth, Michael J; Mizzen, Craig A; Kelleher, Neil L; Pesavento, James J

    2006-02-01

    The basis set of protein forms expressed by human cells from the H2B gene family was determined by Top Down Mass Spectrometry. Using Electron Capture Dissociation for MS/MS of H2B isoforms, direct evidence for the expression of unmodified H2B.Q, H2B.A, H2B.K/T, H2B.J, H2B.E, H2B.B, H2B.F, and monoacetylated H2B.A was obtained from asynchronous HeLa cells. H2B.A was the most abundant form, with the overall expression profile not changing significantly in cells arrested in mitosis by colchicine or during mid-S, mid-G2, G2/M, and mid-G1 phases of the cell cycle. Modest hyperacetylation of H2B family members was observed after sodium butyrate treatment.

  8. Structure of solid H2-D2 mixtures

    International Nuclear Information System (INIS)

    Krupskij, I.N.; Kovalenko, S.I.; Krajnyukova, N.V.

    1978-01-01

    The structure of vapor deposited H 2 -D 2 solid mixtures is investigated. The electron-diffraction examination has been carried out in the temperature range from 2.3K up to the sample sublimation temperature, taking place in case of H 2 at T approximately 5K and D 2 -at T approximately 7K. On the basis of the difractogramm obtained it is shown that in solid films of pure components a FCC structure with parameters asub(Hsub(2))=5.310+-0.01A and asub(Osub(2))=5.100+-0.005A is realized, the structure being metastable in the temperature range. The existence of non-limitted solubility in solid two-component condensates is stated. The decay absence at T approximately 5K, when molecula mobility is enough for the transition of metastable FCC structure into HCP, is in good agreement with the results of experimental and theoretical estimations, according to which the decay critical temperature should not exceed 4K. The existance of the continuous series of solutions at lower temperatures is explained by a small coefficient value of a volumetric and surface diffusion of molecula as well

  9. Structure and stability of solid Xe(H2)n

    International Nuclear Information System (INIS)

    Somayazulu, Maddury; Hemley, Russell J.; Dera, Przemyslaw; Smith, Jesse

    2015-01-01

    Mixtures of xenon and molecular hydrogen form a series of hexagonal, van der Waals compounds at high pressures and at 300 K. Synchrotron, x-ray, single crystal diffraction studies reveal that below 7.5 GPa, Xe(H 2 ) 8 crystallizes in a P3 - m1 structure that displays pressure-induced occupancy changes of two pairs of xenon atoms located on the 2c and 2d sites (while the third pair on yet another 2c site remains fully occupied). The occupancy becomes 1 at the P3 - m1 to R3 transition and all the xenon atoms occupy the 3d sites in the high-pressure structure. These pressure-induced changes in occupancy coincide with volume changes that maintain the average Xe:H 2 stoichiometry fixed at 1:8. The synchrotron x-ray diffraction and Raman measurements show that this unique hydrogen-bearing compound that can be synthesized at 4.2 GPa and 300 K, quenched at low temperatures to atmospheric pressure, and retained up to 90 K on subsequent warming

  10. Study in crossed molecular beams of the state-to-state reactive collision: O("1D) + H_2(X "1Σ_g"+,v) → OH(X "2Π and A"2Σ"+,v',J') + H("2S)

    International Nuclear Information System (INIS)

    Drawin, Stefan

    1990-01-01

    Reactions between oxygen and hydrogen such as O + H_2 → OH + H play a significant role in combustion processes and in atmospheric and interstellar chemistry. But they are also examples of reactive collisions between atoms and molecules which can be addressed theoretically and experimentally for a better understanding of mechanisms present in a chemical reaction. This research thesis reports the experimental study of two reactive ways involving the metastable compound O("1D): O("1D) + H_2 → OH(X "2Π) + H O("1D) + H_2 → OH(A "2Σ"+) + H. The experiment is performed by using crossed molecular beams. Thus, the nature of reactants is well defined, and the interaction medium is rarefied. The first way is largely exothermic, whereas for the second one, endothermicity is overcome by H_2 vibrational excitation. A characterization of reactants is performed. Three methods of analysis of the OH product are used: time-of-flight measurement at different angles, laser induced fluorescence, and spontaneous fluorescence [fr

  11. The roles of H2S and H2O2 in regulating AsA-GSH cycle in the leaves of wheat seedlings under drought stress.

    Science.gov (United States)

    Shan, Changjuan; Zhang, Shengli; Ou, Xingqi

    2018-01-25

    This paper investigated the roles of hydrogen sulfide (H 2 S) and hydrogen peroxide (H 2 O 2 ) and the possible relationship between them in regulating the AsA-GSH cycle in wheat leaves under drought stress (DS). Results showed that DS markedly increased the production of H 2 S and H 2 O 2 , the transcript levels and activities of ascorbate peroxidase (APX), glutathione reductase (GR), monodehydroascorbate reductase (MDHAR), and dehydroascorbate reductase (DHAR); malondialdehyde (MDA) content; and electrolyte leakage (EL). Meanwhile, DS markedly reduced plant height and biomass. Above increases induced by drought stress except MDA content and EL were all suppressed by pretreatments with H 2 S synthesis inhibitor aminooxyaceticacid (AOA) and H 2 O 2 synthesis inhibitor diphenylene iodonium (DPI). Besides, pretreatments with AOA and DPI further significantly increased MDA content and EL and significantly reduced plant height and biomass under DS. DPI reduced the production of H 2 O 2 and H 2 S induced by DS. AOA also reduced the production of H 2 S and H 2 O 2 induced by DS. Pretreatments with NaHS + AOA and H 2 O 2 + DPI reversed above effects of AOA and DPI. Our results suggested that H 2 S and H 2 O 2 all participated in the up-regulation of AsA-GSH cycle in wheat leaves by DS and possibly affected each other.

  12. Laboratory studies of H2SO4/H2O binary homogeneous nucleation from the SO2+OH reaction: evaluation of the experimental setup and preliminary results

    Directory of Open Access Journals (Sweden)

    M. Kulmala

    2008-08-01

    Full Text Available Binary homogeneous nucleation (BHN of sulphuric acid and water (H2SO4/H2O is one of the most important atmospheric nucleation processes, but laboratory observations of this nucleation process are very limited and there are also large discrepancies between different laboratory studies. The difficulties associated with these experiments include wall loss of H2SO4 and uncertainties in estimation of H2SO4 concentration ([H2SO4] involved in nucleation. We have developed a new laboratory nucleation setup to study H2SO4/H2O BHN kinetics and provide relatively constrained [H2SO4] needed for nucleation. H2SO4 is produced from the SO2+OH→HSO3 reaction and OH radicals are produced from water vapor UV absorption. The residual [H2SO4] were measured at the end of the nucleation reactor with a chemical ionization mass spectrometer (CIMS. Wall loss factors (WLFs of H2SO4 were estimated by assuming that wall loss is diffusion limited and these calculated WLFs were in good agreement with simultaneous measurements of the initial and residual [H2SO4] with two CIMSs. The nucleation zone was estimated from numerical simulations based on the measured aerosol sizes (particle diameter, Dp and [H2SO4]. The measured BHN rates (J ranged from 0.01–220 cm−3 s−1 at the initial and residual [H2SO4] from 108−1010 cm−3, a temperature of 288 K and relative humidity (RH from 11–23%; J increased with increasing [H2SO4] and RH. J also showed a power dependence on [H2SO4] with the exponential power of 3–8. These power dependences are consistent with other laboratory studies under similar [H2SO4] and RH, but different from atmospheric field observations which showed that particle number concentrations are often linearly dependent on [H2SO4]. These results, together with a higher [H2SO4] threshold (108–109 cm−3 needed to produce the unit J measured from the laboratory studies compared to the atmospheric conditions (106–107 cm−3, imply that H2SO4/H2O BHN alone is

  13. Ab initio and transition state theory study of the OH + HO2 → H2O + O2(3Σg−)/O2(1Δg) reactions: yield and role of O2(1Δg) in H2O2 decomposition and in combustion of H2

    KAUST Repository

    Monge Palacios, Manuel

    2018-01-22

    Reactions of hydroxyl (OH) and hydroperoxyl (HO2) are important for governing the reactivity of combustion systems. We performed post-CCSD(T) ab initio calculations at the W3X-L//CCSD = FC/cc-pVTZ level to explore the triplet ground-state and singlet excited-state potential energy surfaces of the OH + HO2 → H2O + O2(3Σg−)/O2(1Δg) reactions. Using microcanonical and multistructural canonical transition state theories, we calculated the rate constant for the triplet and singlet channels over the temperature range 200–2500 K, represented by k(T) = 3.08 × 1012T0.07 exp(1151/RT) + 8.00 × 1012T0.32 exp(−6896/RT) and k(T) = 2.14 × 106T1.65 exp(−2180/RT) in cm3 mol−1 s−1, respectively. The branching ratios show that the yield of singlet excited oxygen is small (<0.5% below 1000 K). To ascertain the importance of singlet oxygen channel, our new kinetic information was implemented into the kinetic model for hydrogen combustion recently updated by Konnov (Combust. Flame, 2015, 162, 3755–3772). The updated kinetic model was used to perform H2O2 thermal decomposition simulations for comparison against shock tube experiments performed by Hong et al. (Proc. Combust. Inst., 2013, 34, 565–571), and to estimate flame speeds and ignition delay times in H2 mixtures. The simulation predicted a larger amount of O2(1Δg) in H2O2 decomposition than that predicted by Konnov\\'s original model. These differences in the O2(1Δg) yield are due to the use of a higher ab initio level and a more sophisticated methodology to compute the rate constant than those used in previous studies, thereby predicting a significantly larger rate constant. No effect was observed on the rate of the H2O2 decomposition and on the flame speeds and ignition delay times of different H2–oxidizer mixtures. However, if the oxidizer is seeded with O3, small differences appear in the flame speed. Given that O2(1Δg) is much more reactive than O2(3Σg−), we do not preclude an effect of the

  14. Entrepreneurial Judgment and Value Capture, the Case of the Nascent Offshore Renewable Industry

    Directory of Open Access Journals (Sweden)

    Truls Erikson

    2015-11-01

    Full Text Available Entrepreneurship may be regarded as the mechanism of change towards sustainability. Any entrepreneur that seeks to start a new venture in an emerging industry will face resource and time constraints. The question we raise here is how the entrepreneur should prioritize use of time and resources to increase likeliness of success. To address this question we depart from a theoretical perspective of entrepreneurship seen as judgment, and bridges it over to entrepreneurship seen as co-creation. In other words, we combine the subjective with the intersubjective, and explore the effects of the actions successful green technology entrepreneurs in the emerging offshore renewable energy industry make in building their new ventures in nascent markets. Inspired by earlier studies on market entry, combined with new ways to understand new venture emergence, we find that independent entrepreneurs benefit from leapfrogging typical stages in the technology development process and rather devote time and efforts on resource acquisition. We also find that the most important value-capturing, decision-making heuristics are those related to “hybrid governance”. We discuss implications for theory, practice, and policy.

  15. Introduction of subsidisation in nascent climate-friendly learning technologies and evaluation of its effectiveness

    International Nuclear Information System (INIS)

    Rout, Ullash K.; Akimoto, Keigo; Sano, Fuminori; Tomoda, Toshimasa

    2010-01-01

    Given its importance as a practical phenomenon underlying the progress of learning technologies, attention should be paid to the role of subsidisation in learning theory, particularly in the case of nascent climate-related sociable learning technologies, in order to examine its benefits. Thus, this study focuses on subsidy procurement of energy technologies in several economies in the context of the component learning track in endogenous global clusters in order to suggest improvements to the adoption mechanism and examine the climate stabilization constraint. At the same time, the study attempts to determine the global progress ratio of the lithium-ion battery in order to analyse various endogenous learning scenarios for hybrid technologies. An integrated energy system model with highly disaggregated global regions (DNE21+) is used to execute this research in a medium time frame. Subsidisation of the learning track of battery technology encourages greater development of plug-in hybrid vehicles, promotes early diffusion of hybrid technologies, and relieves heavy dependency on crude oil and biofuels. The subsidies in the common learning domains in few economies benefit the nearby economies because of the technology spillover that occurs through numerous cross-feedback learning mechanisms. Endogenous learning with subsidies augments diffusion potentials, abates emissions, and shifts sectoral emissions.

  16. Line shape parameters for the H2O-H2 collision system for application to exoplanet and planetary atmospheres

    Science.gov (United States)

    Renaud, Candice L.; Cleghorn, Kara; Hartmann, Léna; Vispoel, Bastien; Gamache, Robert R.

    2018-05-01

    Water can be detected throughout the universe: in comets, asteroids, dwarf planets, the inner and outer planets in our solar system, cool stars, brown dwarfs, and on many exoplanets. Here the focus is on locations rich in hydrogen gas. To properly study these environments, there is a need for the line shape parameters for H2O transitions in collision with hydrogen. This work presents calculations of the half-width and line shift, made using the Modified Complex Robert-Bonamy (MCRB) formalism, at a number of temperatures. It is shown that this collision system is strongly off-resonance. For such conditions, the atom-atom part of the intermolecular potential dominates the interaction of the radiating and perturbing molecules. The atom-atom parameters were adjusted by fitting the H2O-H2 measurements of Brown and Plymate (1996). Several techniques were used to extract lines for which there is more confidence in the quality of the data. The final potential yields results that agree with the measurements with ∼0.3% difference and a 5.9% standard deviation. Using this potential, MCRB calculations were made for all transitions in the pure rotation, ν2, ν1, and ν3 bands. The structure of the line shape parameters and the temperature dependence of the half-width, as a function of the rotational and vibrational quantum numbers, are discussed. It is shown that the power law model of the T-dependence of the half-width is inadequate over large temperature ranges.

  17. Numerical study of combustion initiation in a supersonic flow of H2-air mixture by resonance laser radiation

    International Nuclear Information System (INIS)

    Bezgin, L V; Kopchenov, V I; Kuleshov, P S; Titova, N S; Starik, A M

    2012-01-01

    A comparative analysis of the efficiency of approaches based on the exposure of reacting gas to resonance laser radiation to enhance combustion in a supersonic flow of H 2 -air mixture is conducted. The kinetic processes responsible for the intensification of chain reactions in premixed and non-premixed H 2 -air flows upon photodissociation of O 2 molecules by 193.3 nm laser radiation, excitation of these molecules to the singlet sigma state by laser photons with 762.346 nm wavelength and heating the mixture by laser radiation are analysed in a detailed manner. It is shown that both photochemical methods, photodissociation and excitation of O 2 molecules, are much more effective in shortening the ignition delay length than merely heating the mixture. For the premixed flow, the photodissociation of O 2 molecules ensures a slightly higher reduction in the ignition delay than the laser-induced excitation of molecular oxygen to the singlet sigma state. However, in the non-premixed flow the situation is inverted. The analysis shows that both photochemical methods make it possible to raise the efficiency of conversion of reactant chemical energy to thermal energy released during combustion compared with the method of heating the mixtures. (paper)

  18. Communication: State-to-state dynamics of the Cl + H2O → HCl + OH reaction: Energy flow into reaction coordinate and transition-state control of product energy disposal

    International Nuclear Information System (INIS)

    Zhao, Bin; Guo, Hua; Sun, Zhigang

    2015-01-01

    Quantum state-to-state dynamics of a prototypical four-atom reaction, namely, Cl + H 2 O → HCl + OH, is investigated for the first time in full dimensionality using a transition-state wave packet method. The state-to-state reactivity and its dependence on the reactant internal excitations are analyzed and found to share many similarities both energetically and dynamically with the H + H 2 O → H 2 + OH reaction. The strong enhancement of reactivity by the H 2 O stretching vibrational excitations in both reactions is attributed to the favorable energy flow into the reaction coordinate near the transition state. On the other hand, the insensitivity of the product state distributions with regard to reactant internal excitation stems apparently from the transition-state control of product energy disposal

  19. Communication: State-to-state dynamics of the Cl + H2O → HCl + OH reaction: Energy flow into reaction coordinate and transition-state control of product energy disposal.

    Science.gov (United States)

    Zhao, Bin; Sun, Zhigang; Guo, Hua

    2015-06-28

    Quantum state-to-state dynamics of a prototypical four-atom reaction, namely, Cl + H2O → HCl + OH, is investigated for the first time in full dimensionality using a transition-state wave packet method. The state-to-state reactivity and its dependence on the reactant internal excitations are analyzed and found to share many similarities both energetically and dynamically with the H + H2O → H2 + OH reaction. The strong enhancement of reactivity by the H2O stretching vibrational excitations in both reactions is attributed to the favorable energy flow into the reaction coordinate near the transition state. On the other hand, the insensitivity of the product state distributions with regard to reactant internal excitation stems apparently from the transition-state control of product energy disposal.

  20. Supersaturation of dissolved H(2) and CO (2) during fermentative hydrogen production with N(2) sparging.

    Science.gov (United States)

    Kraemer, Jeremy T; Bagley, David M

    2006-09-01

    Dissolved H(2) and CO(2) were measured by an improved manual headspace-gas chromatographic method during fermentative H(2) production with N(2) sparging. Sparging increased the yield from 1.3 to 1.8 mol H(2)/mol glucose converted, although H(2) and CO(2) were still supersaturated regardless of sparging. The common assumption that sparging increases the H(2) yield because of lower dissolved H(2) concentrations may be incorrect, because H(2) was not lowered into the range necessary to affect the relevant enzymes. More likely, N(2) sparging decreased the rate of H(2) consumption via lower substrate concentrations.

  1. Phase formation in the systems ZrO2-H2SO4-Na2SO4 (NaCl)-H2O

    International Nuclear Information System (INIS)

    Sozinova, Yu.P.; Motov, D.L.; Rys'kina, M.P.

    1988-01-01

    Formation of solid phases in the systems ZrO 2 - H 2 SO 4 - Na 2 SO 4 (NaCl) - H 2 O at 25 and 75 deg C is studied. Three basic Na 2 Zr(OH) 2 (SO 4 ) 2 x (0.2 - 0.4)H 2 O, NaZrOH(SO 4 ) 2 x H 2 O, NaZrO 0.5 (OH) 2 SO 4 x 2H 2 O and three normal sodium sulfatozirconates Na 2 Zr(SO 4 ) 3 x 3H 2 O, Na 4 Zr(SO 4 ) 4 x 3H 2 O, Na 6 Zr(SO 4 ) 5 x 4H 2 O have been isolated, their solubility and crystal optical properties are determined

  2. The effects of CO addition on the autoignition of H-2, CH4 and CH4/H-2 fuels at high pressure in an RCM

    NARCIS (Netherlands)

    Gersen, Sander; Darmeveil, Harry; Levinsky, Howard

    2012-01-01

    Autoignition delay times of stoichiometric and fuel-lean (phi = 0.5) H-2, H-2/CO, CH4, CH4/CO, CH4/H-2 and CH4/CO/H-2 mixtures have been measured in an Rapid Compression Machine at pressures ranging from 20 to 80 bar and in the temperature range 900-1100K. The effects of CO addition on the ignition

  3. New metal-organic frameworks of [M(C6H5O7)(C6H6O7)(C6H7O7)(H2O)] . H2O (M=La, Ce) and [Ce2(C2O4)(C6H6O7)2] . 4H2O

    International Nuclear Information System (INIS)

    Weng Shengfeng; Wang, Yun-Hsin; Lee, Chi-Shen

    2012-01-01

    Two novel materials, [M(C 6 H 5 O 7 )(C 6 H 6 O 7 )(C 6 H 7 O 7 )(H 2 O)] . H 2 O (M=La(1a), Ce(1b)) and [Ce 2 (C 2 O 4 )(C 6 H 6 O 7 ) 2 ] . 4H 2 O (2), with a metal-organic framework (MOF) were prepared with hydrothermal reactions and characterized with photoluminescence, magnetic susceptibility, thermogravimetric analysis and X-ray powder diffraction in situ. The crystal structures were determined by single-crystal X-ray diffraction. Compound 1 crystallized in triclinic space group P1-bar (No. 2); compound 2 crystallized in monoclinic space group P2 1 /c (No. 14). The structure of 1 is built from a 1D MOF, composed of deprotonated citric ligands of three kinds. Compound 2 contains a 2D MOF structure consisting of citrate and oxalate ligands; the oxalate ligand arose from the decomposition in situ of citric acid in the presence of Cu II ions. Photoluminescence spectra of compounds 1b and 2 revealed transitions between the 5d 1 excited state and two levels of the 4f 1 ground state ( 2 F 5/2 and 2 F 7/2 ). Compounds 1b and 2 containing Ce III ion exhibit a paramagnetic property with weak antiferromagnetic interactions between the two adjacent magnetic centers. - Graphical Abstract: [M(C 6 H 5 O 7 )(C 6 H 6 O 7 )(C 6 H 7 O 7 )(H 2 O)] . H 2 O (M=La(1a), Ce(1b)) and [Ce 2 (C 2 O 4 )(C 6 H 6 O 7 ) 2 ] . 4H 2 O (2)—with 1D and 2D structures were synthesized and characterized. Highlights: ► Two MOF – [M(C 6 H 5 O 7 )(C 6 H 6 O 7 )(C 6 H 7 O 7 )(H 2 O)] . H 2 O (M=La(1a), Ce(1b)) and [Ce 2 (C 2 O 4 )(C 6 H 6 O 7 ) 2 ] . 4H 2 O (2) – with 1D and 2D structures. ► The adjacent chains of the 1D framework were correlated with each other through an oxalate ligand to form a 2D layer structure. ► The source of the oxalate ligand was the decomposition in situ of citric acid oxidized in the presence of Cu II ions.

  4. Electron capture, electron loss, and deexcitation of fast H(2 2S) and H(1 2S) atoms in collisions with molecular hydrogen and inert gases

    International Nuclear Information System (INIS)

    Roussel, F.; Pradel, P.; Spiess, G.

    1977-01-01

    Collisions of ground-state (1 2 S) and metastable (2 2 S) hydrogen atoms with rare gases and molecular hydrogen have been studied in the energy range 0.5--3.0 keV. For an acceptance angle of 55 mrad, the electron loss and the electron-capture cross sections of both H(1 2 S) and H(2 2 S) have been measured and compared with previous experimental values. The deexcitation cross section for H(2 2 S) has been deduced with the help of previously measured total-quenching cross sections for H(2 2 S). The ratio of the electron-capture cross sections for H(2 2 S) relative to H(1 2 S) is found to be very large for argon at low energies. The effects of large-angle scattering and of highly excited states of H are discussed

  5. Characterisation of the coke formed during metal dusting of iron in CO-H2-H2O gas mixtures

    International Nuclear Information System (INIS)

    Zhang, J.; Schneider, A.; Inden, G.

    2003-01-01

    Carbon deposits formed on the surface of iron samples during carburisation at 700 deg. C in a gas mixture of 75%CO-24.81%H 2 -0.19%H 2 O were characterised by using scanning electron microscopy (SEM), X-ray diffraction (XRD), Moessbauer spectroscopy and transmission electron microscopy (TEM). Cross-section observation of the iron sample by light optical microscopy revealed the formation of cementite after only 10 min reaction, together with a thin layer of graphite. After 4 h reaction, a thick coke layer was formed on top of the cementite surface. SEM surface observation indicated the formation of filamentous carbon in the coke layer. Further analysis of the coke by XRD and Moessbauer showed the presence of mainly Fe 3 C and small amount of Fe 2 C but no metallic iron in the carbon deposit. TEM analysis of the coke detected very convoluted filaments with iron-containing particles at the tip or along their length. These particles were identified to be cementite by selected area diffraction. Carbon deposits produced at the same temperature but with other gas compositions were also analysed by using XRD. It was found that with a low content of CO, e.g. 5%, both α-Fe and Fe 3 C were detected in the coke. Increasing CO content to more than 30%, iron carbide was the only iron-containing phase

  6. H2 Equilibrium Pressure with a Neg-Coated Vacuum Chamber as a Function of Temperature and H2 Concentration

    CERN Document Server

    Rossi, Adriana

    2006-01-01

    Non Evaporable Getter (NEG) coating is used in the Large Hadron Collider (LHC) room-temperature sections to ensure a low residual gas pressure for its properties of distributed pumping, low outgassing and desorption under particle bombardment; and to limit or cure electron cloud build-up due to its low secondary electron emission. In certain regions of the LHC, and in particular close to the beam collimators, the temperature of the vacuum chamber is expected to rise due to energy deposition from particle losses. Hydrogen molecules are pumped by the NEG via dissociation on the surface, sorption at the superficial sites and diffusion into the NEG bulk. In the case of hydrogen, the sorption is thermally reversible, causing the dissociation pressure to increase with NEG temperature and amount of H2 pumped. Measurements were carried out on a stainless steel chamber coated with TiZrV NEG as a function of the H2 concentration and the chamber temperature, to estimate the residual gas pressure in the collimator region...

  7. Temperature dependence of third order ion molecule reactions. The reaction H+3 + 2H2 = H+5 + H2

    International Nuclear Information System (INIS)

    Hiraoka, K.; Kebarle, P.

    1975-01-01

    The rate constants k 1 for Reaction (1): H + 3 +2H 2 = H + 5 +H 2 were measured in the temperature range 100--300 degreeK. The temperature dependence of k 1 has the form k 1 proportionalT - /subn/, where n=2.3. Pierce and Porter have reported a much stronger negative temperature dependence with n=4.6. The difference arises from a determination of k 1 at 300 degreeK obtained by Arifov and used by Porter. The present k 1 (300 degreeK) =9times10 -30 (cm 6 molecules -2 center-dotsec -1 ). This is more than an order of magnitude larger than the Arifov value. The temperature dependence of third body dependent association reactions like (1) is examined on the basis of the energy transfer theory and the recently proposed trimolecular complex transition state theory by Meot-Ner, Solomon, Field, and Gershinowitz. The temperature dependence of the rate constant for the reverse reaction (-1) is obtained from k 1 and the previously determined temperature dependence of the equilibria (1). k/sub -//sub 1/ gives a good straight line Arrhenius plot leading to k/sub -//sub 1/ =8.7times10 -6 exp(-8.4/RT) cm 3 molecules -1 center-dotsec -1 . The activation energy is in kcal/mole. The preexponential factor is much larger than the rate constant for Langevin collisions. This is typical for pyrolysis of ions involving second order activation

  8. Effect of collision energy and vibrational excitation on endothermic ion-molecule reactions

    International Nuclear Information System (INIS)

    Turner, T.P.

    1984-07-01

    This thesis is divided into two major parts. In the first part an experimental study of proton and deuteron transfer in H 2 + + He and HD + + He has been carried out as a function of kinetic and vibrational energy. The data gives evidence that at lower kinetic energies, the spectator stripping mechanism indeed plays an important role when H 2 + or HD + is vibrationally excited. The second half of this thesis examines the relative efficiencies between the excitation of C-C stretching vibration and collision energy on the promotion of the H atom transfer reaction of C 2 H 2 + + H 2 → C 2 H 3 + + H

  9. FAST TRACK COMMUNICATION: Recombination of H+3 ions in the afterglow of a He Ar H2 plasma

    Science.gov (United States)

    Glosik, J.; Korolov, I.; Plasil, R.; Novotny, O.; Kotrik, T.; Hlavenka, P.; Varju, J.; Mikhailov, I. A.; Kokoouline, V.; Greene, Chris H.

    2008-10-01

    Recombination of H+3 with electrons is studied in a low-temperature plasma containing He, H2 and Ar at different He and H2 densities. The effective plasma recombination rate is driven by binary, H+3 + e-, and ternary, H+3 + e-+ He, processes with the rate coefficients 7.5 × 10-8 cm3 s-1 and 2.8 × 10-25 cm6 s-1 respectively at 260 K. We suggest that the ternary recombination involves formation of neutral highly excited Rydberg H3 followed by an l-changing collision with He. The difference between recombination of para- and ortho-H+3 is discussed.

  10. Control of electron localization to isolate and enhance molecular harmonic plateau in asymmetric HeH2+ system

    International Nuclear Information System (INIS)

    Lu, Ruifeng; Yu, Chao; Wang, Yunhui; Shi, Qi; Zhang, Yadong

    2014-01-01

    High-order harmonic generation from the asymmetric molecular ion HeH 2+ exposed to intense laser fields was investigated by quantum wave packet calculations in which the initial wave packet of HeH 2+ was prepared in the first excited 2pσ state. The calculated molecular harmonic plateau at low frequencies was effectively isolated and enhanced by adjusting the carrier-envelope phase (CEP) of the laser field. Furthermore, double-well model, time-dependent electronic density, electronic state population, and time-frequency analyses were presented to explain the underlying mechanism of the efficient isolated molecular plateau. By taking advantage of the CEP effect to control the electronic dynamics, this isolated molecular plateau can be used to generate high-intensity single attosecond pulses.

  11. Laser diagnostics of high vibrational and rotational H2-states

    International Nuclear Information System (INIS)

    Mosbach, Th.; Schulz-von der Gathen, V.; Doebele, H.F.

    2002-01-01

    We report on measurements of vibrational and rotational excited electronic-ground-state hydrogen molecules in a magnetic multipole plasma source by LIF with VUV radiation. The measurements are taken after rapid shut-off of the discharge current. Absolute level populations are obtained using Rayleigh scattering calibration with Krypton. The theoretically predicted suprathermal population of the vibrational distribution is clearly identified. We found also non-Boltzmann rotational distributions for the high vibrational states. The addition of noble gases (Argon and Xenon) to hydrogen leads to a decrease of the vibrational population. (Abstract Copyright [2002], Wiley Periodicals, Inc.)

  12. Staining Against Phospho-H2AX (gamma-H2AX) as a Marker for DNA Damage and Genomic Instability in Cancer Tissues and Cells

    NARCIS (Netherlands)

    Nagelkerke, A.P.; Span, P.N.

    2016-01-01

    Phospho-H2AX or gamma-H2AX- is a marker of DNA double-stranded breaks and can therefore be used to monitor DNA repair after, for example, irradiation. In addition, positive staining for phospho-H2AX may indicate genomic instability and telomere dysfunction in tumour cells and tissues. Here, we

  13. Does residual H2O2 result in inhibitory effect on enhanced anaerobic digestion of sludge pretreated by microwave-H2O2 pretreatment process?

    Science.gov (United States)

    Liu, Jibao; Jia, Ruilai; Wang, Yawei; Wei, Yuansong; Zhang, Junya; Wang, Rui; Cai, Xing

    2017-04-01

    This study investigated the effects of residual H 2 O 2 on hydrolysis-acidification and methanogenesis stages of anaerobic digestion after microwave-H 2 O 2 (MW-H 2 O 2 ) pretreatment of waste activated sludge (WAS). Results showed that high sludge solubilization at 35-45 % was achieved after pretreatment, while large amounts of residual H 2 O 2 remained and refractory compounds were thus generated with high dosage of H 2 O 2 (0.6 g H 2 O 2 /g total solids (TS), 1.0 g H 2 O 2 /g TS) pretreatment. The residual H 2 O 2 not only inhibited hydrolysis-acidification stage mildly, such as hydrolase activity, but also had acute toxic effect on methanogens, resulting in long lag phase, low methane yield rate, and no increase of cumulative methane production during the 30-day BMP tests. When the low dosage of H 2 O 2 at 0.2 g H 2 O 2 /g TS was used in MW-H 2 O 2 pretreatment, sludge anaerobic digestion was significantly enhanced. The cumulative methane production increased by 29.02 %, but still with a lag phase of 1.0 day. With removing the residual H 2 O 2 by catalase, the initial lag phase of hydrolysis-acidification stage decreased from 1.0 to 0.5 day.

  14. Evaluation of plasma H2S levels and H2S synthesis in streptozotocin induced Type-2 diabetes-an experimental study based on Swietenia macrophylla seeds

    Directory of Open Access Journals (Sweden)

    Moumita Dutta

    2014-05-01

    Conclusions: Although considering a small sample size, it can conclude that the fasting blood glucose levels are inversely related to plasma H2S levels as well as H2S synthesis activity in plasma and the extract of S. macrophylla is associated with increased plasma H2S levels with effective lowering of blood glucose in streptozotocin induced diabetic rats.

  15. Characterization of mussel H2A.Z.2: a new H2A.Z variant preferentially expressed in germinal tissues from Mytilus.

    Science.gov (United States)

    Rivera-Casas, Ciro; González-Romero, Rodrigo; Vizoso-Vazquez, Ángel; Cheema, Manjinder S; Cerdán, M Esperanza; Méndez, Josefina; Ausió, Juan; Eirin-Lopez, Jose M

    2016-10-01

    Histones are the fundamental constituents of the eukaryotic chromatin, facilitating the physical organization of DNA in chromosomes and participating in the regulation of its metabolism. The H2A family displays the largest number of variants among core histones, including the renowned H2A.X, macroH2A, H2A.B (Bbd), and H2A.Z. This latter variant is especially interesting because of its regulatory role and its differentiation into 2 functionally divergent variants (H2A.Z.1 and H2A.Z.2), further specializing the structure and function of vertebrate chromatin. In the present work we describe, for the first time, the presence of a second H2A.Z variant (H2A.Z.2) in the genome of a non-vertebrate animal, the mussel Mytilus. The molecular and evolutionary characterization of mussel H2A.Z.1 and H2A.Z.2 histones is consistent with their functional specialization, supported on sequence divergence at promoter and coding regions as well as on varying gene expression patterns. More precisely, the expression of H2A.Z.2 transcripts in gonadal tissue and its potential upregulation in response to genotoxic stress might be mirroring the specialization of this variant in DNA repair. Overall, the findings presented in this work complement recent reports describing the widespread presence of other histone variants across eukaryotes, supporting an ancestral origin and conserved role for histone variants in chromatin.

  16. Fuel cell bus operation, system investigation H2 bus

    International Nuclear Information System (INIS)

    Anon.

    1992-01-01

    The WP covers two tasks: - Prepartion of Technical Catalogue: In cooperation with ICIL, AR have compiled a technical catalogue, providing the impartial descriptions, both of existing technology and regulations, and the likely future developments of these, as to remedy the first problem faced by a potential hydrogen bus fleet operator viz the absence of an impartial description of the available vehicle and fuels systems together with the absence of a description of regulatory and safety factors which need consideration. - Fuel Cell Bus Operation - System Investigation H 2 Bus: The application of fuel cell electric generation systems to hybrid electrical buses or electrical busses without any storage system on board is considered. The task will cover safety and environmental aspects, a cost estimate and a market evaluation. (orig.)

  17. Utilization of membranes for H2O recycle system

    Science.gov (United States)

    Ohya, H.; Oguchi, M.

    1986-01-01

    Conceptual studies of closed ecological life support systems (CELSS) carried out at NAL in Japan for a water recycle system using membranes are reviewed. The system will treat water from shower room, urine, impure condensation from gas recycle system, and so on. The H2O recycle system is composed of prefilter, ultrafiltration membrane, reverse osmosis membrane, and distillator. Some results are shown for a bullet train of toilet-flushing water recycle equipment with an ultraviltration membrane module. The constant value of the permeation rate with a 4.7 square meters of module is about 70 1/h after 500th of operation. Thermovaporization with porous polytetrafluorocarbon membrane is also proposed to replce the distillator.

  18. Fabry-Perot observations of Comet Halley H2O(+)

    International Nuclear Information System (INIS)

    Scherb, F.; Roesler, F.L.D.; Harlander, J.; Magee-sauer, K.

    1990-01-01

    Fabry-Perot scanning spectrometer observations of Comet Halley's H 2 O(+) emissions have yielded 6158.64 and 6158.85 A spin doublet data at distances in the range of 0 to 2 million km from the comet heat in the antisunward direction. Cometary plasma outflow velocities were ascertained on the basis of the emissions' Doppler shifts, yielding results that were mostly but not exclusively consistent with the plasma's constant antisunward acceleration; the acceleration varied from night to night of observations over a 30-300 cm/sec range. The unusual plasma kinematics of December 14-15, 1985, and January 10, 1986, may be associated with the tail-disconnection activity observed by others. 30 refs

  19. Polarizability tensor invariants of H2, HD, and D2

    Science.gov (United States)

    Raj, Ankit; Hamaguchi, Hiro-o.; Witek, Henryk A.

    2018-03-01

    We report an exhaustive compilation of wavelength-dependent matrix elements over the mean polarizability (α ¯ ) and polarizability anisotropy (γ) operators for the rovibrational states of the H2, HD, and D2 molecules together with an accompanying computer program for their evaluation. The matrix elements can be readily evaluated using the provided codes for rovibrational states with J = 0-15 and v = 0-4 and for any laser wavelengths in the interval 182.25-1320.6 nm corresponding to popular, commercially available lasers. The presented results substantially extend the scope of the data available in the literature, both in respect of the rovibrational transitions analyzed and the range of covered laser frequencies. The presented detailed tabulation of accurate polarizability tensor invariants is essential for successful realization of our main long-term goal: developing a universal standard for determining absolute Raman cross sections and absolute Raman intensities in experimental Rayleigh and Raman scattering studies of molecules.

  20. D2-H2 equilibration over γ-irradiated zeolites

    International Nuclear Information System (INIS)

    Novakova, J.; Wichterlova, B.

    1987-01-01

    D 2 -H 2 equilibration was studied at 77 and 298 K over HY, AlHY, HZSM-5 and Alsub(x)Osub(y)HZSM-5 zeolites which had been γ-irradiated at 77 and/or 298 K. The exchange rate was found to be higher at the lower temperature regardless of the temperature of irradiation. Moreover, at 77 K the exchange rates were similar and more stable over the individual zeolites than at 298 K, thus indicating a common reaction path at 77 K. The exchange rate at 298 K depended on the zeolite type: it was more stable and higher over HZSM-5 than over HY, and extra-lattice Al increased both these properties on HY as well as on HZSM-5. The reaction mechanism is discussed in connection with the nature of defects generated by γ-irradiation. (author)

  1. How Business Idea Fit Affects Sustainability and Creates Opportunities for Value Co-Creation in Nascent Firms

    OpenAIRE

    Gian Luca Casali; Mirko Perano; Andrea Moretta Tartaglione; Roxanne Zolin

    2018-01-01

    A well-defined business idea is essential for nascent business sustainability in the future. The business idea must fit firm knowledge and resources to a profitable business opportunity. This work adopts the framework of value co-creation, strongly related to the service-dominant logic paradigm. We ask how does business idea fit affect new venture sustainability and create opportunities for value co-creation. We propose that a business idea that lacks fit is less sustainable, but it could cre...

  2. Analytic cross sections for collisions of H, H2, He and Li atoms and ions with atoms and molecules, 1

    International Nuclear Information System (INIS)

    Ito, Rinsuke; Tabata, Tatsuo; Shirai, Toshizo; Phaneuf, R.A.

    1993-06-01

    Analytic expressions fitted to Barnett's recommended data are given for the cross sections of the following reactions: (1) electron capture by H, H + , H 2 + , He + , and He 2+ colliding with atoms, molecules, and ions and (2) electron capture into excited states by H + , He + , and He 2+ colliding with atoms and molecules. The latter category includes cross sections for photon emission due to electron capture. The expressions use the semiempirical functional forms proposed by Green and McNeal and some modified forms to make it possible not only to interpolate but also to extrapolate the recommended data. (author)

  3. Photochemical methodologies for organic waste treatment: advanced oxidation process using uranyl ion with H2O2

    International Nuclear Information System (INIS)

    Naik, D.B.; Sarkar, S.K.; Mukherjee, T.

    2009-01-01

    Excited uranyl ion is able to degrade dyes such as thionine and methylene blue on irradiation with 254 nm/300 nm light. By adding H 2 O 2 along with uranyl ion, photodegradation takes place with visible light and also with enhanced rate. The hydroxyl radicals generated in the reoxidation of U(IV)/UO 2 + to UO 2 2+ are responsible for this enhanced degradation. The above advanced oxidation process (AOP) was applied to study the oxidation of 2-propanol to acetone. (author)

  4. Exit angle, energy loss and internuclear distance distributions of H2+ ions dissociated when traversing different materials

    International Nuclear Information System (INIS)

    Garcia-Molina, Rafael; Abril, Isabel; Denton, Cristian D.; Arista, Nestor R.

    2000-01-01

    We have performed computer simulations of the trajectory followed by each proton resulting from the dissociation of H 2 + molecules when traversing a thin solid target. We use the dielectric formalism to describe the forces due to electronic excitations in the medium, and we also consider the Coulomb repulsion between the pair of protons. Nuclear collisions with target nuclei are incorporated through a Monte Carlo code and the effect of the coherent scattering is taken into account by means of an effective force model. The distributions of exit angle, energy loss and internuclear separations of the protons fragments are discussed for the case of amorphous carbon and aluminum targets

  5. Theoretical investigation of elementary reaction of complexing LiH+BeH2 → LiBeH3

    International Nuclear Information System (INIS)

    Charkin, O.P.; Boldyrev, A.I.; Sukhanov, L.P.

    1979-01-01

    In the framework of non-empiric Hartree-Fock-Roothaan method on the basis of gauss functions of Roos and Siegbahn made are calculations of different sections of potential surface elementary reaction of complexing LiH+BeH 2 → LiBeH 3 . Charts of potential surface are presented. Questions of the elementary mechanism of elementary processes of complexing and effect of mutual orientation of the reagents upon the reaction mechanism are considered. Stability of LiBeH 3 molecule to different dissociation channels and different aspects of structural non-rigidity of the L[MXsub(k+1)] complexes at super barrier excitation are discussed

  6. Catalase activity is stimulated by H2O2 in rich culture medium and is required for H2O2 resistance and adaptation in yeast ☆

    OpenAIRE

    Martins, Dorival; English, Ann M.

    2014-01-01

    Catalases are efficient scavengers of H2O2 and protect cells against H2O2 stress. Examination of the H2O2 stimulon in Saccharomyces cerevisiae revealed that the cytosolic catalase T (Ctt1) protein level increases 15-fold on H2O2 challenge in synthetic complete media although previous work revealed that deletion of the CCT1 or CTA1 genes (encoding peroxisomal/mitochondrial catalase A) does not increase the H2O2 sensitivity of yeast challenged in phosphate buffer (pH 7.4). This we attributed to...

  7. Crystal-field-driven redox reactions: How common minerals split H2O and CO2 into reduced H2 and C plus oxygen

    Science.gov (United States)

    Freund, F.; Batllo, F.; Leroy, R. C.; Lersky, S.; Masuda, M. M.; Chang, S.

    1991-01-01

    It is difficult to prove the presence of molecular H2 and reduced C in minerals containing dissolved H2 and CO2. A technique was developed which unambiguously shows that minerals grown in viciously reducing environments contain peroxy in their crystal structures. The peroxy represent interstitial oxygen atoms left behind when the solute H2O and/or CO2 split off H2 and C as a result of internal redox reactions, driven by the crystal field. The observation of peroxy affirms the presence of H2 and reduced C. It shows that the solid state is indeed an unusual reaction medium.

  8. Atom-radical reaction dynamics of O(3P)+C3H5→C3H4+OH: Nascent rovibrational state distributions of product OH

    Science.gov (United States)

    Park, Jong-Ho; Lee, Hohjai; Kwon, Han-Cheol; Kim, Hee-Kyung; Choi, Young-Sang; Choi, Jong-Ho

    2002-08-01

    The reaction dynamics of ground-state atomic oxygen [O(3P)] with allyl radicals (C3H5) has been investigated by applying a combination of crossed beams and laser induced fluorescence techniques. The reactants O(3P) and C3H5 were produced by the photodissociation of NO2 and the supersonic flash pyrolysis of precursor allyl iodide, respectively. A new exothermic channel of O(3P)+C3H5→C3H4+OH was observed and the nascent internal state distributions of the product OH (X 2Π:υ″=0,1) showed substantial bimodal internal excitations of the low- and high-N″ components without Λ-doublet and spin-orbit propensities in the ground and first excited vibrational states. With the aid of the CBS-QB3 level of ab initio theory and Rice-Ramsperger-Kassel-Marcus calculations, it is predicted that on the lowest doublet potential energy surface the major reaction channel of O(3P) with C3H5 is the formation of acrolein (CH2CHCHO)+H, which is consistent with the previous bulk kinetic experiments performed by Gutman et al. [J. Phys. Chem. 94, 3652 (1990)]. The counterpart C3H4 of the probed OH product in the title reaction is calculated to be allene after taking into account the factors of reaction enthalpy, barrier height and the number of intermediates involved along the reaction pathway. On the basis of population analyses and comparison with prior calculations, the statistical picture is not suitable to describe the reactive atom-radical scattering processes, and the dynamics of the title reaction is believed to proceed through two competing dynamical pathways. The major low N″-components with significant vibrational excitation may be described by the direct abstraction process, while the minor but extraordinarily hot rotational distribution of high N″-components implies that some fraction of reactants is sampled to proceed through the indirect short-lived addition-complex forming process.

  9. Mechanical modulation of nascent stem cell lineage commitment in tissue engineering scaffolds.

    Science.gov (United States)

    Song, Min Jae; Dean, David; Knothe Tate, Melissa L

    2013-07-01

    Taking inspiration from tissue morphogenesis in utero, this study tests the concept of using tissue engineering scaffolds as delivery devices to modulate emergent structure-function relationships at early stages of tissue genesis. We report on the use of a combined computational fluid dynamics (CFD) modeling, advanced manufacturing methods, and experimental fluid mechanics (micro-piv and strain mapping) for the prospective design of tissue engineering scaffold geometries that deliver spatially resolved mechanical cues to stem cells seeded within. When subjected to a constant magnitude global flow regime, the local scaffold geometry dictates the magnitudes of mechanical stresses and strains experienced by a given cell, and in a spatially resolved fashion, similar to patterning during morphogenesis. In addition, early markers of mesenchymal stem cell lineage commitment relate significantly to the local mechanical environment of the cell. Finally, by plotting the range of stress-strain states for all data corresponding to nascent cell lineage commitment (95% CI), we begin to "map the mechanome", defining stress-strain states most conducive to targeted cell fates. In sum, we provide a library of reference mechanical cues that can be delivered to cells seeded on tissue engineering scaffolds to guide target tissue phenotypes in a temporally and spatially resolved manner. Knowledge of these effects allows for prospective scaffold design optimization using virtual models prior to prototyping and clinical implementation. Finally, this approach enables the development of next generation scaffolds cum delivery devices for genesis of complex tissues with heterogenous properties, e.g., organs, joints or interface tissues such as growth plates. Copyright © 2013 Elsevier Ltd. All rights reserved.

  10. Direct application of radioiodinated aminoacyl tRNA for radiolabeling nascent proteins

    International Nuclear Information System (INIS)

    Scherberg, N.H.; Barokas, K.; Murata, Y.; Refetoff, S.

    1985-01-01

    A two-step procedure to incorporate 125 I-iodotyrosine into protein synthesized in a reticulocyte lysate is described. In the first step, the iodination of tyrosyl tRNA was catalyzed by a solid-state glycouril compound. More than one-third of 200 microCi of radioiodine became bound to 70 micrograms of aminoacyl tRNA after 15 min at 0 degrees C. The isotope was distributed in a three-to-one ratio of monoiodotyrosine to di-iodotyrosine. In the second step, the soluble product of the radioiodination was transferred directly into a nuclease-treated reticulocyte lysate coded with RNA isolated from the human hepatoma cell line Hep G2. Fractional recovery of radioiodine in nascent protein was maximally 7.6%. Reaction of the product of translation with antibody against alpha-antitrypsin separated an 125 I-containing protein having a molecular weight estimated as 47,000. The synthesis of unprocessed alpha-antitrypsin was confirmed by cleavage of the labeled protein with leader peptidase and by its displacement from immunocomplex formation with purified alpha-antitrypsin. The amount of 125 I incorporated into alpha-antitrypsin was proportionate to iodinated tRNA additions up to a concentration of 70 micrograms/ml. The synthesis of alpha-antitrypsin as detected in radioautograms after gel electrophoresis was more than twice as sensitive using radioiodinated aminoacyl tRNA as compared with [ 35 S]methionine. Iodine labeling of thyroxine-binding globulin was also demonstrated in the translation product of Hep G2 RNA. Since the specific activity of the radioiodine is high and the means for detection of the isotope efficient, the method described can facilitate the demonstration of quantitatively minor translation products

  11. Uranous nitrate production for purex process applications using PtO2 catalyst and H2/H2-gas mixtures

    International Nuclear Information System (INIS)

    Sreenivasa Rao, K.; Shyamali, R.; Narayan, C.V.; Patil, A.R.; Jambunathan, U.; Ramanujam, A.; Kansara, V.P.

    2003-04-01

    In the Purex process of spent fuel reprocessing. the twin objectives- decontamination and partitioning are achieved by extracting uranium (VI) and plutonium (IV) together in the solvent 30% TBP-dodecane and then selectively reducing Pu (IV) to Pu (III) in which valency it is least extractable in the solvent. Uranous nitrate stabilized with hydrazine nitrate is the widely employed partitioning agent. The conventional method of producing U(IV) is by the electrolytic reduction of uranyl nitrate with hydrazine nitrate as uranous ion stabilizer. Tre percentage conversion of U(VI) to U(IV) obtained in this method is 50 -60 %. The use of this solution as partitioning agent leads not only to the dilution of the plutonium product but also to increase in uranium processing load by each externally fed uranous nitrate batch. Also the oxide coating of the anode, TSIA (Titanium Substrate Insoluble Anode) wears out after a certain period of operation. This necessitates recoating which is quite cumbersome considering the amount of the decontamination involved. An alternative to the conventional electrolytic method of reduction of uranyl nitrate to uranous nitrate was explored at FRD laboratory .The studies have revealed that near 100% uranous nitrate can be produced by reducing uranyl nitrate with H 2 gas or H 2 (8%)- Ar/N 2 gas mixture in presence of PtO 2 catalyst. This report describes the laboratory scale studies carried out to optimize the various parameters. Based on these studies reduction of uranyl nitrate on a pilot plant scale was carried out. The design and operation of the reductor column and also the various studies carried out in the pilot plant studies are discussed. Near 100% conversion of uranyl nitrate to uranous nitrate and also the redundancy of supply of electrical energy make this process a viable alternative to the existing electrolytic method. (author)

  12. 26 CFR 1.642(h)-2 - Excess deductions on termination of an estate or trust.

    Science.gov (United States)

    2010-04-01

    ... trust. 1.642(h)-2 Section 1.642(h)-2 Internal Revenue INTERNAL REVENUE SERVICE, DEPARTMENT OF THE TREASURY (CONTINUED) INCOME TAX (CONTINUED) INCOME TAXES Estates, Trusts, and Beneficiaries § 1.642(h)-2...)) in excess of gross income, the excess is allowed under section 642(h)(2) as a deduction to the...

  13. The histone variant macroH2A is an epigenetic regulator of key developmental genes

    DEFF Research Database (Denmark)

    Buschbeck, Marcus; Uribesalgo, Iris; Wibowo, Indra

    2009-01-01

    The histone variants macroH2A1 and macroH2A2 are associated with X chromosome inactivation in female mammals. However, the physiological function of macroH2A proteins on autosomes is poorly understood. Microarray-based analysis in human male pluripotent cells uncovered occupancy of both macroH2A ...

  14. Anti-H-Y responses of H-2b mutant mice.

    Science.gov (United States)

    Simpson, E; Gordon, R D; Chandler, P R; Bailey, D

    1978-10-01

    Two strains of H-2b mutant mice, H-2ba and H-2bf, in which the mutational event took place at H-2K, make anti-H-Y cytotoxic T cell responses which are H-2-restricted, Db-associated and indistinguishable in target cell specificity from those of H-2b mice. Thus, alteration of the H-2K molecule affects neither the Ir gene controlling the response, nor the associative antigen. On the other hand, one H-2Db mutant strain, H-2bo, although it makes a good anti-H-Y cytotoxic response, shows target cell specificity restricted to its own Dbo antigen(s), and neither H-2b, H-2ba or H-2bf anti-H-Y cytotoxic cells kill H-2bo male target cells. Thus, the alteration of the H-2Db molecule does not affect the Ir gene of H-2b mice, but it does alter the H-2Db-associative antigen.

  15. Monte Carlo simulation of electron swarms in H2

    International Nuclear Information System (INIS)

    Hunter, S.R.

    1977-01-01

    A Monte Carlo simulation of the motion of an electron swarm in molecular hydrogen has been studied in the range E/N 1.4-170 Td. The simulation was performed for 400-600 electrons at several values of E/N for two different sets of inelastic collision cross sections at high E/N. Results were obtained for the longitudinal diffusion coefficient Dsub(L), lateral diffusion coefficient D, swarm drift velocity W, average swarm energy and ionization and excitation production coefficients, and these were compared with experimental data where available. It is found that the results differ significantly from the experimental values and this is attributed to the isotropic scattering model used in this work. However, the results lend support to the experimental technique used recently by Blevin et al. to determine these transport parameters, and in particular confirm their results that Dsub(L) > D at high values of E/N. (Author)

  16. ORION'S BAR: PHYSICAL CONDITIONS ACROSS THE DEFINITIVE H+/H0/H2 INTERFACE

    International Nuclear Information System (INIS)

    Pellegrini, E. W.; Baldwin, J. A.; Ferland, G. J.; Shaw, G.; Heathcote, S.

    2009-01-01

    Previous work has shown the Orion Bar to be an interface between ionized and molecular gas, viewed roughly edge-on, which is excited by the light from the Trapezium cluster. Much of the emission from any star-forming region will originate from such interfaces, so the Bar serves as a foundation test of any emission model. Here we combine X-ray, optical, infrared (IR), and radio data sets to derive emission spectra along the transition from H + to H 0 to H 2 regions. We then reproduce the spectra of these layers with a simulation that simultaneously accounts for the detailed microphysics of the gas, the grains, and molecules, especially H 2 and CO. The magnetic field, observed to be the dominant pressure in another region of the Orion Nebula, is treated as a free parameter, along with the density of cosmic rays. Our model successfully accounts for the optical, IR, and radio observations across the Bar by including a significant magnetic pressure and also heating by an excess density of cosmic rays, which we suggest is due to cosmic rays being trapped in the compressed magnetic field. In the Orion Bar, as we had previously found in M17, momentum carried by radiation and winds from the newly formed stars pushes back and compresses the surrounding gas. There is a rough balance between outward momentum in starlight and the total pressure in atomic and molecular gas surrounding the H + region. If the gas starts out with a weak magnetic field, the starlight from a newly formed cluster will push back the gas and compress the gas, magnetic field, and cosmic rays until magnetic pressure becomes an important factor.

  17. Influence of excitability on unpinning and termination of spiral waves.

    Science.gov (United States)

    Luengviriya, Jiraporn; Sutthiopad, Malee; Phantu, Metinee; Porjai, Porramain; Kanchanawarin, Jarin; Müller, Stefan C; Luengviriya, Chaiya

    2014-11-01

    Application of electrical forcing to release pinned spiral waves from unexcitable obstacles and to terminate the rotation of free spiral waves at the boundary of excitable media has been investigated in thin layers of the Belousov-Zhabotinsky (BZ) reaction, prepared with different initial concentrations of H_{2}SO_{4}. Increasing [H_{2}SO_{4}] raises the excitability of the reaction and reduces the core diameter of free spiral waves as well as the wave period. An electric current with density stronger than a critical value Junpin causes a pinned spiral wave to drift away from the obstacle. For a given obstacle size, Junpin increases with [H_{2}SO_{4}]. Under an applied electrical current, the rotation center of a free spiral wave drifts along a straight path to the boundary. When the current density is stronger than a critical value Jterm, the spiral tip is forced to hit the boundary, where the spiral wave is terminated. Similar to Junpin for releasing a pinned spiral wave, Jterm also increases with [H_{2}SO_{4}]. These experimental findings were confirmed by numerical simulations using the Oregonator model, in which the excitability was adjusted via the ratio of the excitation rate to the recovery rate of the BZ reaction. Therefore, our investigation shows that decreasing the excitability can facilitate elimination of spiral waves by electrical forcing, either in the presence of obstacles or not.

  18. A Longitudinal Examination of The Impact of Founding Owner Operator Characteristics on Nascent Venture Performance: Evidence from the Kauffman Firm Survey

    Directory of Open Access Journals (Sweden)

    Augustine Y. Dzathor

    2013-07-01

    Full Text Available This study attempts to revive and clarify the debate on ‘the entrepreneurial man’. We longitudinally examined the effects of seven founding-owner-operator characteristics (prior industry experience, level of formal education, age, gender, ethnicity and time committed to business operations on nascent venture performance. Our results indicate that owner work experience, level of education and hours worked in the business have significant effect on nascent venture performance, while inadequate owner reputation and luck of ethnic social capital may negatively affect nascent venture performance. Our findings also suggest that characteristic of the ‘entrepreneurial man’ are dynamic and leans towards a temporal contingency model. Different entrepreneur characteristics seem to assume prominence in firm performance at different times in a nascent venture’s life trajectory.

  19. High-Throughput Computational Screening of the Metal Organic Framework Database for CH4/H2 Separations.

    Science.gov (United States)

    Altintas, Cigdem; Erucar, Ilknur; Keskin, Seda

    2018-01-31

    Metal organic frameworks (MOFs) have been considered as one of the most exciting porous materials discovered in the last decade. Large surface areas, high pore volumes, and tailorable pore sizes make MOFs highly promising in a variety of applications, mainly in gas separations. The number of MOFs has been increasing very rapidly, and experimental identification of materials exhibiting high gas separation potential is simply impractical. High-throughput computational screening studies in which thousands of MOFs are evaluated to identify the best candidates for target gas separation is crucial in directing experimental efforts to the most useful materials. In this work, we used molecular simulations to screen the most complete and recent collection of MOFs from the Cambridge Structural Database to unlock their CH 4 /H 2 separation performances. This is the first study in the literature, which examines the potential of all existing MOFs for adsorption-based CH 4 /H 2 separation. MOFs (4350) were ranked based on several adsorbent evaluation metrics including selectivity, working capacity, adsorbent performance score, sorbent selection parameter, and regenerability. A large number of MOFs were identified to have extraordinarily large CH 4 /H 2 selectivities compared to traditional adsorbents such as zeolites and activated carbons. We examined the relations between structural properties of MOFs such as pore sizes, porosities, and surface areas and their selectivities. Correlations between the heat of adsorption, adsorbility, metal type of MOFs, and selectivities were also studied. On the basis of these relations, a simple mathematical model that can predict the CH 4 /H 2 selectivity of MOFs was suggested, which will be very useful in guiding the design and development of new MOFs with extraordinarily high CH 4 /H 2 separation performances.

  20. Interpretation of the H2O maser outbursts in Orion

    International Nuclear Information System (INIS)

    Strel'nitskij, V.S.

    1982-01-01

    It is shown, that the H 2 O maser that flared up in Orion (+8 km/s) was partly unsaturated. The anti-correlation between the line width and intensity, the asymmetry of the profile and the changes of the visibility function within it are explained by blending of two componenets, one of which has experienced a flare. From the observed polarization properties the upper limit to the electron density (nsub(e) 5 cm -3 ), the strength of the magnetic field (B approximately 10 -2 G) and its direction (position angle phi approximately -15 deg) within the source are deduced. According to the proposed physical model the source is a gas condensation, pressed, heated and accelerated by the strong stellar wind from a young star (possibly IRc4). The maser is pumped by the CCr-process at sup(n)H approximately 10 11 -10 12 cm -3 . If the condensation is a remnant of a circumstellar gas-dust disk, the magnetic field within the disk must be essentially azimuthal [ru

  1. Solid-state photoelectrochemical H2 generation with gaseous reactants

    International Nuclear Information System (INIS)

    Iwu, Kingsley O.; Galeckas, Augustinas; Kuznetsov, Andrej Yu.; Norby, Truls

    2013-01-01

    Photocurrent and H 2 production were demonstrated in an all solid-state photoelectrochemical cell employing gaseous methanol and water vapour at the photoanode. Open circuit photovoltage of around −0.4 V and short circuit photocurrent of up to 250 μA/cm 2 were obtained. At positive bias, photocurrent generation was limited by the irradiance, i.e., the amount of photogenerated charge carriers at the anode. Time constants and impedance spectra showed an electrochemical capacitance of the cell of about 15 μF/cm 2 in the dark, which increased with increasing irradiance. With only water vapour at the anode, the short circuit photocurrent was about 6% of the value with gaseous methanol and water vapour. The photoanode and electrocatalyst on carbon paper support were affixed to the proton conducting membrane using Nafion ® as adhesive, an approach that yielded photocurrents up to 15 times better than that of a cell assembled by hot-pressing, in spite of the overall cell resistance of the latter being up to five times less than that of the former. This is attributed, at least partially, to reactants being more readily available at the photoanode of the better performing cell

  2. Photodissociation dynamics of H2O at 111.5 nm by a vacuum ultraviolet free electron laser

    Science.gov (United States)

    Wang, Heilong; Yu, Yong; Chang, Yao; Su, Shu; Yu, Shengrui; Li, Qinming; Tao, Kai; Ding, Hongli; Yang, Jaiyue; Wang, Guanglei; Che, Li; He, Zhigang; Chen, Zhichao; Wang, Xingan; Zhang, Weiqing; Dai, Dongxu; Wu, Guorong; Yuan, Kaijun; Yang, Xueming

    2018-03-01

    Photodissociation dynamics of H2O via the F ˜ state at 111.5 nm were investigated using the high resolution H-atom Rydberg "tagging" time-of-flight (TOF) technique, in combination with the tunable vacuum ultraviolet free electron laser at the Dalian Coherent Light Source. The product translational energy distributions and angular distributions in both parallel and perpendicular directions were derived from the recorded TOF spectra. Based on these distributions, the quantum state distributions and angular anisotropy parameters of OH (X) and OH (A) products have been determined. For the OH (A) + H channel, highly rotationally excited OH (A) products have been observed. These products are ascribed to a fast direct dissociation on the B ˜ 1A1 state surface after multi-step internal conversions from the initial excited F ˜ state to the B ˜ state. While for the OH (X) + H channel, very highly rotationally excited OH (X) products with moderate vibrational excitation are revealed and attributed to the dissociation via a nonadiabatic pathway through the well-known two conical intersections between the B ˜ -state and the X ˜ -state surfaces.

  3. Investigation of H2S separation from H2S/CH4 mixtures using functionalized and non-functionalized vertically aligned carbon nanotube membranes

    Science.gov (United States)

    Gilani, Neda; Towfighi, Jafar; Rashidi, Alimorad; Mohammadi, Toraj; Omidkhah, Mohammad Reza; Sadeghian, Ahmad

    2013-04-01

    Separation of H2S from binary mixtures of H2S/CH4 using vertically aligned carbon nanotube membranes fabricated in anodic aluminum oxide (AAO) template was studied experimentally. Carbon nanotubes (CNTs) were grown in five AAO templates with different pore diameters using chemical vapor deposition, and CNT/AAO membranes with tubular carbon nanotube structure and open caps were selected for separation of H2S. For this, two tubular CNT/AAO membranes were fabricated with the CNT inner diameters of 23 and 8 nm. It was found that permeability and selectivity of the membrane with inner diameter of 23 nm for CNT were independent of upstream feed pressure and H2S feed concentration unlike that of CNT having an inner diameter of 8 nm. Selectivity of these membranes for separation of H2S was obtained in the ranges of 1.36-1.58 and 2.11-2.86, for CNTs with internal diameters of 23 and 8 nm, respectively. In order to enhance the separation of H2S from H2S/CH4 mixtures, dodecylamine was used to functionalize the CNT/AAO membrane with higher selectivity. The results showed that for amido-functionalized membrane, both upstream feed pressure and H2S partial pressure in the feed significantly increased H2S permeability, and selectivity for H2S being in the range of 3.0-5.57 respectively.

  4. Promotion of H2 production by microwave-assisted treatment of water hyacinth with dilute H2SO4 through combined dark fermentation and photofermentation

    International Nuclear Information System (INIS)

    Cheng, Jun; Xia, Ao; Su, Huibo; Song, Wenlu; Zhou, Junhu; Cen, Kefa

    2013-01-01

    Highlights: • Water hyacinth is microwaved with dilute H 2 SO 4 to improve enzymatic hydrolysis. • Hydrolyzed hyacinth is fermented by hydrogenogens to improve dark H 2 yield. • Nearly 100% glucose and most arabinose in hydrolysate are used in dark fermentation. • H 2 yield from hyacinth via combined fermentation is 75.2% of theoretical H 2 yield. - Abstract: Water hyacinth was treated with microwave-assisted dilute H 2 SO 4 to improve saccharification before enzymatic hydrolysis and H 2 production during dark fermentation. A maximum reducing sugar (RS) yield of 64.4 g/100 g total volatile solid (TVS) (96.1% of the theoretical RS yield) was achieved when water hyacinth was treated through microwave heating with 1% dilute H 2 SO 4 for 15 min at 140 °C and then enzymatically hydrolyzed for 72 h. During enzymatic hydrolysis, glucose was efficiently produced from the hydrolysis of cellulose that resulted from the disruption of the lignocellulosic structure of water hyacinth after microwave-assisted H 2 SO 4 treatment. When the hydrolyzed water hyacinth was inoculated with H 2 -producing bacteria to produce H 2 during dark fermentation, a maximum H 2 yield of 112.3 ml/g TVS was obtained. The major sugar compositions in the residual solution from dark fermentation were xylose and cellobiose (total RS utilization efficiency: 88.5%). Through a combination of dark fermentation and photofermentation, the maximum H 2 yield from water hyacinth was significantly increased from 112.3 ml/g TVS to 751.5 ml/g TVS, which is 75.2% of the theoretical H 2 yield

  5. Excited charmed mesons

    International Nuclear Information System (INIS)

    Butler, J.N.; Shukla, S.

    1995-05-01

    The experimental status of excited charmed mesons is reviewed and is compared to theoretical expectations. Six states have been observed and their properties are consistent with those predicted for excited charmed states with orbital angular momentum equal to one

  6. Portable vibration exciter

    Science.gov (United States)

    Beecher, L. C.; Williams, F. T.

    1970-01-01

    Gas-driven vibration exciter produces a sinusoidal excitation function controllable in frequency and in amplitude. It allows direct vibration testing of components under normal loads, removing the possibility of component damage due to high static pressure.

  7. Multi-frequency excitation

    KAUST Repository

    Younis, Mohammad I.

    2016-01-01

    Embodiments of multi-frequency excitation are described. In various embodiments, a natural frequency of a device may be determined. In turn, a first voltage amplitude and first fixed frequency of a first source of excitation can be selected

  8. Confirming a predicted selection rule in inelastic neutron scattering spectroscopy: the quantum translator-rotator H2 entrapped inside C60.

    Science.gov (United States)

    Xu, Minzhong; Jiménez-Ruiz, Mónica; Johnson, Mark R; Rols, Stéphane; Ye, Shufeng; Carravetta, Marina; Denning, Mark S; Lei, Xuegong; Bačić, Zlatko; Horsewill, Anthony J

    2014-09-19

    We report an inelastic neutron scattering (INS) study of a H2 molecule encapsulated inside the fullerene C60 which confirms the recently predicted selection rule, the first to be established for the INS spectroscopy of aperiodic, discrete molecular compounds. Several transitions from the ground state of para-H2 to certain excited translation-rotation states, forbidden according to the selection rule, are systematically absent from the INS spectra, thus validating the selection rule with a high degree of confidence. Its confirmation sets a precedent, as it runs counter to the widely held view that the INS spectroscopy of molecular compounds is not subject to any selection rules.

  9. Molecular dissociation and nascent product state distributions detected with atomic wavepacket interferometry and parametric four-wave mixing: Rb2 predissociation observed by quantum beating in Rb at 18.2 THz

    International Nuclear Information System (INIS)

    Xiao, Y; Senin, A A; Ricconi, B J; Kogler, R; Zhu, C J; Eden, J G

    2008-01-01

    Dissociation of a diatomic molecule and the excited-state distribution of the nascent atomic fragments can be detected and characterized by atomic wavepacket interferometry and a coherent nonlinear optical process, such as parametric four-wave mixing (PFWM), in ultrafast pump-probe experiments. Underlying these experiments is a reliance on atom-atom interaction to alter the properties of an atomic wavepacket which, in turn, impacts the phase and amplitude of a coherent optical signal. Specifically, quantum beating in the atomic species provides a sensitive, in situ probe of molecular dissociation by detecting approaching dissociation fragments through long-range dipole-dipole interaction. The resulting influence of this interaction on the amplitude and phase of the quantum beating is observed in temporal or Fourier domains by probing the wavepacket by interferometry and PFWM with 100-150 fs laser pulses. The wavepacket thus serves as a detector of molecular dissociation fragments and the dynamics of atom-atom interactions are converted into the macroscopic domain by the PFWM signal and idler waves. Femtosecond pump-probe experiments are described in which the predissociation of electronically excited Rb 2 states in the ∼24 000-28 000 cm -1 interval, and the distribution of nascent atomic fragments into Rb excited states (7s, 5d, 6s, 4d and 5p) spanning an energy range >1.25 eV, have been observed in Rb vapour with atomic number densities of ∼6 x 10 13 -3 x 10 17 cm -3 . Quantum beating at 18.2 THz (corresponding to the Rb 7s-5d J (J = 5/2) energy defect of ∼608 cm -1 ) is superimposed onto the axially phase matched PFWM signal wave generated at λ S ∼ 420 nm (Rb 6 2 P J → 5 2 S 1/2 transitions) and recovered by Fourier analysis of the signal wave intensity as the pump-probe time delay (Δt) is scanned. The dominant exit channels for Rb 2 predissociation are found to be sensitive to the interval of internuclear separation R in which the molecular

  10. The 1600 Å Emission Bump in Protoplanetary Disks: A Spectral Signature of H2O Dissociation

    Science.gov (United States)

    France, Kevin; Roueff, Evelyne; Abgrall, Hervé

    2017-08-01

    The FUV continuum spectrum of many accreting pre-main sequence stars, Classical T Tauri Stars (CTTSs), does not continue smoothly from the well-studied Balmer continuum emission in the NUV, suggesting that additional processes contribute to the short-wavelength emission in these objects. The most notable spectral feature in the FUV continuum of some CTTSs is a broad emission approximately centered at 1600 Å, which has been referred to as the “1600 Å Bump.” The origin of this feature remains unclear. In an effort to better understand the molecular properties of planet-forming disks and the UV spectral properties of accreting protostars, we have assembled archival FUV spectra of 37 disk-hosting systems observed by the Hubble Space Telescope-Cosmic Origins Spectrograph. Clear 1600 Å Bump emission is observed above the smooth, underlying 1100-1800 Å continuum spectrum in 19/37 Classical T Tauri disks in the HST-COS sample, with the detection rate in transition disks (8/8) being much higher than that in primordial or non-transition sources (11/29). We describe a spectral deconvolution analysis to separate the Bump (spanning 1490-1690 Å) from the underlying FUV continuum, finding an average Bump luminosity L(Bump) ≈ 7 × 1029 erg s-1. Parameterizing the Bump with a combination of Gaussian and polynomial components, we find that the 1600 Å Bump is characterized by a peak wavelength λ o = 1598.6 ± 3.3 Å, with FWHM = 35.8 ± 19.1 Å. Contrary to previous studies, we find that this feature is inconsistent with models of H2 excited by electron -impact. We show that this Bump makes up between 5%-50% of the total FUV continuum emission in the 1490-1690 Å band and emits roughly 10%-80% of the total fluorescent H2 luminosity for stars with well-defined Bump features. Energetically, this suggests that the carrier of the 1600 Å Bump emission is powered by Lyα photons. We argue that the most likely mechanism is Lyα-driven dissociation of H2O in the inner disk, r

  11. Monte Carlo wave-packet approach to trace nuclear dynamics in molecular excited states by XUV-pump-IR-probe spectroscopy

    Science.gov (United States)

    Jing, Qingli; Bello, Roger Y.; Martín, Fernando; Palacios, Alicia; Madsen, Lars Bojer

    2018-04-01

    Recent research interests have been raised in uncovering and controlling ultrafast dynamics in excited neutral molecules. In this work we generalize the Monte Carlo wave packet (MCWP) approach to XUV-pump-IR-probe schemes to simulate the process of dissociative double ionization of H2 where singly excited states in H2 are involved. The XUV pulse is chosen to resonantly excite the initial ground state of H2 to the lowest excited electronic state of 1Σu + symmetry in H2 within the Franck-Condon region. The delayed intense IR pulse couples the excited states of 1Σu + symmetry with the nearby excited states of 1Σg + symmetry. It also induces the first ionization from H2 to H2 + and the second ionization from H2 + to H++H+. To reduce the computational costs in the MCWP approach, a sampling method is proposed to determine in time the dominant ionization events from H2 to H2+. By conducting a trajectory analysis, which is a unique possibility within the MCWP approach, the origins of the characteristic features in the nuclear kinetic energy release spectra are identified for delays ranging from 0 to 140 fs and the nuclear dynamics in the singly excited states in H2 is mapped out.

  12. Photoionization of excited molecular states using multiphoton excitation techniques

    International Nuclear Information System (INIS)

    Dehmer, P.M.; Pratt, S.T.; Dehmer, J.L.

    1984-01-01

    Photoelectron spectra are reported for three photon resonant, four photon ionization of H 2 via the B 1 Σ/sub u/ + , v = 7 (J = 2,4) and C 1 π/sub u'/, v = 0-4 (J = 1) levels and of N 2 via the o 3 1 π/sub u'/, v = 1,2, b 1 π/sub u'/, v = 3-5, and c 1 π/sub u'/, v = 0 levels. The results reflect both the spectroscopy and the dynamics of photoionization of excited molecular states and are discussed in terms of the selection rules for photoionization and the relative probabilities of photoionization from Rydberg and valence states. In some cases, in accordance with the Franck-Condon principle, the results demonstrate that resonant multiphoton ionization through Rydberg states may be a powerful technique for the production of electronic, vibrational, and rotational state selected ions. However, in other cases, systematic departures from Franck-Condon factors are observed, which reflect the more subtle dynamics of excited state photoionization. 23 references, 6 figures, 2 tables

  13. Photoionization of excited molecular states using multiphoton excitation techniques

    International Nuclear Information System (INIS)

    Dehmer, P.M.; Pratt, S.T.; Dehmer, J.L.

    1984-01-01

    Photoelectron spectra are reported for three photon resonant, four photon ionization of H 2 via the B 1 Σ + /sub u/, v = 7 (J = 2,4) and C 1 Pi/sub u/, v = 0-4 (J = 1) levels and of N 2 via the o 3 1 Pi/sub u/, v = 1,2, b 1 Pi/sub u/, v = 3-5, and c 1 Pi/sub u/, v = 0 levels. The results reflect both the spectroscopy and the dynamics of photoionization of excited molecular states and are discussed in terms of the selection rules for photoionization and the relative probabilities of photoionization from Rydberg and valence states. In some cases, in accordance with the Franck-Condon principle, the results demonstrate that resonant multiphoton ionization through Rydberg states may be a powerful technique for the production of electronic, vibrational, and rotational state selected ions. However, in other cases, systematic departures from Franck-Condon factors are observed, which reflect the more subtle dynamics of excited state photoionization

  14. Antibodies to H2a and H2b histones from the sera of HIV-infected patients catalyze site-specific degradation of these histones.

    Science.gov (United States)

    Baranova, Svetlana V; Dmitrienok, Pavel S; Ivanisenko, Nikita V; Buneva, Valentina N; Nevinsky, Georgy A

    2017-06-01

    Histones and their post-translational modifications have key roles in chromatin remodeling and gene transcription. Besides intranuclear functions, histones act as damage-associated molecules when they are released into the extracellular space. Administration of histones to animals leads to systemic inflammatory and toxic responses. Autoantibodies with enzymatic activities (abzymes) are distinctive features of some autoimmune and viral diseases. Electrophoretically homogeneous IgGs containing no canonical enzymes were isolated from the sera of HIV-infected patients by chromatography on several affinity sorbents including anti-histone Sepharose. In contrast to canonical proteases (trypsin, chymotrypsin, proteinase K), IgGs from HIV-infected patients specifically hydrolyzed only histones but not many other tested globular proteins. Using MALDI mass spectrometry the sites of H2a and H2b histone cleavage by anti-histone IgGs were determined for the first time. One cluster of H2a hydrolysis contains two major (↕) and four moderate (↓) cleavage sites: 31-H↓R↓L↓L↓R↕K G↕N-38. One major and two moderate sites of cleavage were revealed in the second cluster: 14-A↕KSRS↓SRA↓G-22. The third cluster corresponding to the H2a C-terminal part contains only five minor (†) sites of cleavage: 82-H†LQLAIRNDEELN†KLLG†RV†T†I-102. It was shown that two major and four moderate sites of cleavage were present in the main cluster of H2b hydrolysis: 46-K↕QvhpD↓TgiS↓SkA↓M↕GiM↓N-63. Two moderate sites of cleavage correspond to a relatively short 6-mer cluster: 12-K↓GskK↓A-17. The third relatively long 9-mer cluster contains one major and two minor sites of H2b cleavage: 80-L↕AHYN†KRS†T-88. In the nucleosome core particle, most of the major and moderate cleavage sites are located at the H2a/H2b interaction interface. Minor cleavage sites of H2a are involved in binding with H3 in the nucleosome core. Two moderate cleavage sites of H2b and one

  15. A NEW CLASS OF NASCENT ECLIPSING BINARIES WITH EXTREME MASS RATIOS

    Energy Technology Data Exchange (ETDEWEB)

    Moe, Maxwell; Stefano, Rosanne Di, E-mail: mmoe@cfa.harvard.edu [Harvard-Smithsonian Center for Astrophysics, 60 Garden Street, MS-10, Cambridge, MA 02138 (United States)

    2015-03-10

    Early B-type main-sequence (MS) stars (M {sub 1} ≈ 5-16 M {sub ☉}) with closely orbiting low-mass stellar companions (q = M {sub 2}/M {sub 1} < 0.25) can evolve to produce Type Ia supernovae, low-mass X-ray binaries, and millisecond pulsars. However, the formation mechanism and intrinsic frequency of such close extreme mass-ratio binaries have been debated, especially considering none have hitherto been detected. Utilizing observations of the Large Magellanic Cloud galaxy conducted by the Optical Gravitational Lensing Experiment, we have discovered a new class of eclipsing binaries in which a luminous B-type MS star irradiates a closely orbiting low-mass pre-MS companion that has not yet fully formed. The primordial pre-MS companions have large radii and discernibly reflect much of the light they intercept from the B-type MS primaries (ΔI {sub refl} ≈ 0.02-0.14 mag). For the 18 definitive MS + pre-MS eclipsing binaries in our sample with good model fits to the observed light-curves, we measure short orbital periods P = 3.0-8.5 days, young ages τ ≈ 0.6-8 Myr, and small secondary masses M {sub 2} ≈ 0.8-2.4 M {sub ☉} (q ≈ 0.07-0.36). The majority of these nascent eclipsing binaries are still associated with stellar nurseries, e.g., the system with the deepest eclipse ΔI {sub 1} = 2.8 mag and youngest age τ = 0.6 ± 0.4 Myr is embedded in the bright H II region 30 Doradus. After correcting for selection effects, we find that (2.0 ± 0.6)% of B-type MS stars have companions with short orbital periods P = 3.0-8.5 days and extreme mass ratios q ≈ 0.06-0.25. This is ≈10 times greater than that observed for solar-type MS primaries. We discuss how these new eclipsing binaries provide invaluable insights, diagnostics, and challenges for the formation and evolution of stars, binaries, and H II regions.

  16. LiOH - H2O2 - H2O trinary system study for the selection of optimal conditions of lithium peroxide synthesis

    International Nuclear Information System (INIS)

    Nefedov, R A; Ferapontov, Yu A; Kozlova, N P

    2016-01-01

    Using solubility method the decay kinetics of peroxide products contained in liquid phase of LiOH - H 2 O 2 - H 2 O trinary system with 2 to 6% by wt hydrogen peroxide content in liquid phase in 21 to 33 °C temperature range has been studied. Conducted studies have allowed to determine temperature and concentration limits of solid phase existence of Li 2 O 2 ·H 2 O content, distinctness of which has been confirmed using chemical and qualitative X- ray phase analysis. Stabilizing effect of solid phase of Li 2 O 2 ·H 2 O content on hydrogen peroxide decay contained in liquid phase of LiOH - H 2 O 2 - H 2 O trinary system under conditions of experiments conducted has been shown. (paper)

  17. LiOH - H2O2 - H2O trinary system study for the selection of optimal conditions of lithium peroxide synthesis

    Science.gov (United States)

    Nefedov, R. A.; Ferapontov, Yu A.; Kozlova, N. P.

    2016-01-01

    Using solubility method the decay kinetics of peroxide products contained in liquid phase of LiOH - H2O2 - H2O trinary system with 2 to 6% by wt hydrogen peroxide content in liquid phase in 21 to 33 °C temperature range has been studied. Conducted studies have allowed to determine temperature and concentration limits of solid phase existence of Li2O2·H2O content, distinctness of which has been confirmed using chemical and qualitative X- ray phase analysis. Stabilizing effect of solid phase of Li2O2·H2O content on hydrogen peroxide decay contained in liquid phase of LiOH - H2O2 - H2O trinary system under conditions of experiments conducted has been shown.

  18. Study of ZrO2-H2SO4-(NH4)2SO4(NH4Cl)-H2O systems

    International Nuclear Information System (INIS)

    Motov, D.L.; Sozinova, Yu.P.; Rys'kina, M.P.

    1988-01-01

    Regions of formation, composition and solubility of ammonium sulfatozirconates (ASZ) in ZrO 2 -H 2 SO 4 -(NH 4 ) 2 SO 4 (NH 4 Cl)-H 2 O systems at 25 and 75 deg C are studied by the isothermal method. Five ASZ: (NH 4 ) 2 Zr(OH) 2 (SO 4 ) 2 , NH 4 ZrOH(SO 4 ) 2 xH 2 O, NH 4 ZrO 0.5 (OH) 2 SO 4 x1.5H 2 O, (NH 4 ) 2 Zr(SO 4 ) 3 x2H 2 O, (NH 4 ) 4 Zr(SO 4 ) 4 x4H 2 O are detected, their properties are investigated. Main sulfates are new compounds never described ealier

  19. H2A-DUBbing the mammalian epigenome: expanding frontiers for histone H2A deubiquitinating enzymes in cell biology and physiology.

    Science.gov (United States)

    Belle, Jad I; Nijnik, Anastasia

    2014-05-01

    Posttranslational modifications of histone H2A through the attachment of ubiquitin or poly-ubiquitin conjugates are common in mammalian genomes and play an important role in the regulation of chromatin structure, gene expression, and DNA repair. Histone H2A deubiquitinases (H2A-DUBs) are a group of structurally diverse enzymes that catalyze the removal ubiquitin from histone H2A. In this review we provide a concise summary of the mechanisms that mediate histone H2A ubiquitination in mammalian cells, and review our current knowledge of mammalian H2A-DUBs, their biochemical activities, and recent developments in our understanding of their functions in mammalian physiology. Copyright © 2014 Elsevier Ltd. All rights reserved.

  20. Herschel Observations of EXtra-Ordinary Sources: H2S as a Probe of Dense Gas and Possibly Hidden Luminosity Toward the Orion KL Hot Core

    Science.gov (United States)

    Crockett, N. R.; Bergin, E. A.; Neill, J. L.; Black, J. H.; Blake, G. A.; Kleshcheva, M.

    2014-02-01

    We present Herschel/HIFI observations of the light hydride H2S obtained from the full spectral scan of the Orion Kleinmann-Low nebula (Orion KL) taken as part of the Herschel Observations of EXtra-Ordinary Sources GT (guaranteed time) key program. In total, we observe 52, 24, and 8 unblended or slightly blended features from H2 32S, H2 34S, and H2 33S, respectively. We only analyze emission from the so-called hot core, but emission from the plateau, extended ridge, and/or compact ridge are also detected. Rotation diagrams for ortho and para H2S follow straight lines given the uncertainties and yield T rot = 141 ± 12 K. This indicates H2S is in local thermodynamic equilibrium and is well characterized by a single kinetic temperature or an intense far-IR radiation field is redistributing the population to produce the observed trend. We argue the latter scenario is more probable and find that the most highly excited states (E up >~ 1000 K) are likely populated primarily by radiation pumping. We derive a column density, N tot(H2 32S) = 9.5 ± 1.9 × 1017 cm-2, gas kinetic temperature, T kin = 120+/- ^{13}_{10} K, and constrain the H2 volume density, n_H_2 >~ 9 × 10 7 cm-3, for the H2S emitting gas. These results point to an H2S origin in markedly dense, heavily embedded gas, possibly in close proximity to a hidden self-luminous source (or sources), which are conceivably responsible for Orion KL's high luminosity. We also derive an H2S ortho/para ratio of 1.7 ± 0.8 and set an upper limit for HDS/H2S of <4.9 × 10 -3. Herschel is an ESA space observatory with science instruments provided by European-led Principal Investigator consortia and with important participation from NASA.

  1. Monte Carlo simulation of electron swarms in H2

    International Nuclear Information System (INIS)

    Hunter, S.R.

    1976-05-01

    A Monte-Carlo simulation of the motion of an electron swarm in molecular hydrogen was studied in the range E/N = 1.4-170 Td (1 Td = 10 -17 V/cms 2 ). The simulation was performed for 400-600 electrons at several values of E/N for two different sets of inelastic collision cross sections at high values of E/N. The longitudinal diffusion coefficient Dsub(L), lateral diffusion coefficient D, swarm drift velocity W, average swarm energy epsilon, and the ionization and excitation production coefficients were obtained and compared with experimental results where these are available. It was found that the results obtained differ significantly from the experimental values and this is attributed to the isotopic scattering model used in this work. However, the results lend support to the experimental technique reported by Blevin et al used to determine these transport parameters, and in particular confirm their result that Dsub(L) > D at high values of E/N. (author)

  2. Removal of Organic Dyes from Industrial Wastewaters Using UV/H2O2, UV/H2O2/Fe (II, UV/H2O2/Fe (III Processes

    Directory of Open Access Journals (Sweden)

    Nezamaddin Daneshvar

    2007-03-01

    Full Text Available UV/H2O2, UV/H2O2/Fe (II and UV/H2O2/Fe (III processes are very effective in removing pollutants from wastewater and can be used for treatment of dyestuff units wastewaters. In this study, Rhodamine B was used as a typical organic dye. Rhodamine B has found wide applications in wax, leather, and paper industries. The results from this study showed that this dye was degradable in the presence of hydrogen peroxide under UV-C irradiation (30W mercury light and Photo-Fenton process. The dye was resistant to UV irradiation. In the absence of UV irradiation, the decolorization efficiency was very negligible in the presence of hydrogen. The effects of different system variables such as initial dye concentration, duration of UV irradiation, and initial hydrogen peroxide concentration were investigated in the UV/H2O2 process. Investigation of the kinetics of the UV/H2O2 process showed that the semi-log plot of the dye concentration versus time was linear, suggesting a first order reaction. It was found that Rhodamine B decolorization efficiencies in the UV/H2O2/Fe (II and UV/H2O2/Fe (III processes were higher than that in the UV/H2O2 process. Furthermore, a solution containing 20 ppm of Rhodamine B was decolorized in the presence 18 mM of H2O2 under UV irradiation for 15 minutes. It was also found that addition of 0.1 mM Fe(II or Fe(III to the solution containing  20  ppm of the dye and 5 mM H2O2 under UV light  illumination decreased removal time to 10 min.

  3. A New Overpotential — Capacitance Mechanism for H2 Electrode

    Directory of Open Access Journals (Sweden)

    Glenn Wei

    2006-10-01

    Full Text Available The H2 electrode is commonly assumed to be a half-cell, 2 H+ 2e == H2, andexplained by the Nernst equation. We cannot assume that the H+ is easily reduced to H2 inan H2 saturated solution, and H2 becoming oxidized to H+ in a strongly acid solution againstthe equilibrium principle. How can the H2 gas is involved from a basic solution where thereis practically no H+ ions? Another equilibrium has been postulated, H2 (soln = 2H(adsorbed on metal = 2 H 2e. This paper reports the results of studying the H2 electrodeusing various techniques, such as adsorption, bubbling with H2, and N2, charging,discharging, and recharging, replacing the salt bridge with a conducting wire, etc. Aninteresting overpotential was observed that bubbling H2 into the solution caused a suddenchange of potential to more negative without changing the solution pH. The H2 may bereplaced by N2 to give a similar calibration curve without the overpotential. The resultscontradict the redox mechanism. When the Pt is separated by H2 coating, it cannot act as acatalyst in the solution. Our results seem to explain the H2 electrode mechanism as thecombination of its overpotential and capacitance potential. Bubbling of H2 or N2 onlyremoves interfering gases such as O2 and CO2. Since neither H2 nor N2 is involved in thepotential development, it is improper to call the H2 or N2 electrode. A term of pH / OH Ptelectrode, like the pH / OH glass electrode, is suggested.

  4. Elementary excitations in nuclei

    International Nuclear Information System (INIS)

    Lemmer, R.H.

    1987-01-01

    The role of elementary quasi-particle and quasi-hole excitations is reviewed in connection with the analysis of data involving high-lying nuclear states. This article includes discussions on: (i) single quasi-hole excitations in pick-up reactions, (ii) the formation of single quasi-hole and quasi-particle excitations (in different nuclei) during transfer reactions, followed by (iii) quasi-particle quasi-hole excitations in the same nucleus that are produced by photon absorption. Finally, the question of photon absorption in the vicinity of the elementary Δ resonance is discussed, where nucleonic as well as nuclear degrees of freedom can be excited

  5. Conductivity And Thermal Stability of Solid Acid Composites CsH2PO4 /NaH2PO4/ SiO2

    International Nuclear Information System (INIS)

    Norsyahida Mohammad; Abu Bakar Mohamad; Abu Bakar Mohamad; Abdul Amir Hassan Kadhum

    2016-01-01

    Solid acid composites CsH 2 PO 4 / NaH 2 PO 4 / SiO 2 with different mole ratios of CsH 2 PO 4 and NaH 2 PO 4 to SiO 2 were synthesized and characterized. Preliminary infrared measurements of CsH 2 PO 4 and its composites indicated that hydrogen bonds breaking and formation were detected between 1710 to 2710 cm -1 , while the rotation of phosphate tetrahedral anions occurred between 900 and 1200 cm -1 . The superprotonic transition of CsH 2 PO 4 / NaH 2 PO 4 / SiO 2 composite was identified at superprotonic temperatures between 230 and 260 degree Celcius, under atmospheric pressure. This study reveals higher conductivity values for composites with higher CsH 2 PO 4 (CDP) content. Solid acid composite CDP 613 appeared as the composite with the highest conductivity that is 7.2x10 -3 S cm -1 at 230 degree Celcius. Thermal stability of the solid acid composites such as temperature of dehydration, melting and decomposition were investigated. The addition of NaH 2 PO 4 lowers the dehydration temperature of the solid acid composites. (author)

  6. Using H2O2 as oxidant in leaching of uranium ores. The new research on the reaction of H2O2 with Fe2+

    International Nuclear Information System (INIS)

    Gao Xizhen

    1997-05-01

    The new research on the reaction of H 2 O 2 with Fe 2+ has been studied. Through determining the electric potential, pH and O 2 release during the mutual titration between H 2 O 2 solution and FeSO 4 solution, deduced the chemical equations of H 2 O 2 (without free hydroxyl) oxidizing FeSO 4 and Fe 2 (SO 4 ) 3 oxidizing H 2 O 2 . The research results show that acid is a catalytic agent for decomposing H 2 O 2 to be O 2 and H 2 O besides iron ions. The maximum oxidizing potential is up to about 640 mV. While using H 2 O 2 as an oxidant in uranium heap leaching and in-situ leaching, controlling electric potential can be regarded as a method for adjusting the feeding speed of H 2 O 2 to keep the electric potential below 500 mV, thus the H 2 O 2 decomposition can be reduced. (13 refs., 3 tabs., 1 fig.)

  7. Nucleosome acidic patch promotes RNF168- and RING1B/BMI1-dependent H2AX and H2A ubiquitination and DNA damage signaling.

    Directory of Open Access Journals (Sweden)

    Justin W Leung

    2014-03-01

    Full Text Available Histone ubiquitinations are critical for the activation of the DNA damage response (DDR. In particular, RNF168 and RING1B/BMI1 function in the DDR by ubiquitinating H2A/H2AX on Lys-13/15 and Lys-118/119, respectively. However, it remains to be defined how the ubiquitin pathway engages chromatin to provide regulation of ubiquitin targeting of specific histone residues. Here we identify the nucleosome acid patch as a critical chromatin mediator of H2A/H2AX ubiquitination (ub. The acidic patch is required for RNF168- and RING1B/BMI1-dependent H2A/H2AXub in vivo. The acidic patch functions within the nucleosome as nucleosomes containing a mutated acidic patch exhibit defective H2A/H2AXub by RNF168 and RING1B/BMI1 in vitro. Furthermore, direct perturbation of the nucleosome acidic patch in vivo by the expression of an engineered acidic patch interacting viral peptide, LANA, results in defective H2AXub and RNF168-dependent DNA damage responses including 53BP1 and BRCA1 recruitment to DNA damage. The acidic patch therefore is a critical nucleosome feature that may serve as a scaffold to integrate multiple ubiquitin signals on chromatin to compose selective ubiquitinations on histones for DNA damage signaling.

  8. Spectroscopic diagnostics of the vibrational population in the ground state of H2 and D2 molecules

    International Nuclear Information System (INIS)

    Fantz, U.; Heger, B.

    1998-01-01

    A diagnostic method has been evaluated for measuring the relative vibrational ground-state population of molecular hydrogen and deuterium. It is based on the analysis of the diagonal Fulcher bands · 3 Π u →a 3 Σ g + ) and the Franck-Condon principle of excitation. The validity of the underlying assumptions was verified by experiments in microwave discharges and the method is recommended for application in divertor plasmas in controlled fusion experiments. By attributing a vibrational temperature T vib to the ground-state electronic level (X 1 Σ g + ) and assuming population via the Franck-Condon principle, the upper Fulcher state vibrational distribution can be derived theoretically with T vib as parameter. Comparison with experimentally derived upper-state population gives the corresponding T vib of the ground state. The Franck-Condon factors for the · 3 Π 1 Σ g + and · 3 Π u →a 3 Σ g + transitions have been calculated for both hydrogen and deuterium from molecular constants using the FCFRKR code. The method has been applied to low pressure H 2 /He and D 2 /He microwave plasmas, showing good agreement of experimentally and theoretically derived upper Fulcher state vibrational distributions. The vibrational temperatures range from 3200 K to 6800 K for H 2 and 2600 K to 4000 K for D 2 · depending on molecular density, pressure and electron temperature, but indicating nearly the same vibrational population for H 2 and D 2 for comparable plasma conditions. (author)

  9. The Fourth Flight of CHESS: Analysis of Interstellar H2 on the γ Ara Sightline

    Science.gov (United States)

    Kruczek, Nick E.; France, Kevin; Nell, Nicholas; Fleming, Brian

    2018-06-01

    In this talk, we describe the scientific motivation and technical development of the Colorado High-resolution Echelle Stellar Spectrograph (CHESS) sounding rocket, focusing on the preliminary science results for the fourth launch of the payload (CHESS-4). CHESS is a far ultraviolet rocket-borne instrument designed to study the atomic-to-molecular transitions within translucent cloud regions in the interstellar medium. CHESS-4 launched on 13 April 2018 aboard NASA/CU sounding rocket mission 36.333 UG. The target for this flight was γ Ara, a B1I star that is known to display a variable and equatorially enhanced stellar wind. We present flight results of interstellar molecular hydrogen excitation, including initial measurements of the column density and temperature, on the sightline. These results are compared to previous values that were calculated using the damping wings of low-J H2 absorption features in Copernicus spectra. We also present analogous flight data for the sightline toward β Sco, finding that the derived column density of the J” = 1 rotational level differs by a factor of ~2 when compared to the previous observations. We discuss the discrepancies between the two measurements and show that the source of the difference is likely due to the opacity of higher rotational levels contributing to the J” = 1 absorption wing, increasing the inferred column density in the previous work.

  10. Low-Temperature Experimental and Theoretical Rate Constants for the O(1D) + H2 Reaction.

    Science.gov (United States)

    Hickson, Kevin M; Suleimanov, Yury V

    2017-03-09

    In the present joint experimental and theoretical study, we report thermal rate constants for the O( 1 D) + H 2 reaction within the 50-300 K temperature range. Experimental kinetics measurements were performed using a continuous supersonic flow reactor coupled with pulsed laser photolysis for O( 1 D) production and pulsed laser-induced fluorescence in the vacuum ultraviolet wavelength range (VUV LIF) for O( 1 D) detection. Theoretical rate constants were obtained using the ring polymer molecular dynamics (RPMD) approach over the two lowest potential energy surfaces 1 1 A' and 1 1 A″, which possess barrierless and thermally activated energy profiles, respectively. Both the experimental and theoretical rate constants exhibit a weak temperature dependence. The theoretical results show the dominant role of the 1 1 A' ground state and that contribution of the 1 1 A″ excited state to the total thermal rate decreases dramatically at lower temperature. Agreement between the experimental and theoretical results is good, and the discrepancy does not exceed 25%. It is argued that these differences are likely to be due to nonadiabatic couplings between the 1 1 A' and 2 1 A' surfaces.

  11. Alignment dependence in above-threshold ionization of H2+: role of intermediate resonances

    DEFF Research Database (Denmark)

    Hernández, Jorge Fernández; Madsen, Lars Bojer

    2009-01-01

    We report a 3D ab initio investigation of the dependence of above-threshold ionization of the H2+ molecule on the orientation of a linearly polarized intense femtosecond laser pulse with respect to the molecular axis. The calculations were performed in the frozen nuclei approximation for the 2Σ+g(1......sσg) ground and the 2Σ+u(2pσu) first excited electronic states, in laser pulses of seven optical cycles (19 fs) with a wavelength of 800 nm and for different intensities. The numerical procedure combines two different techniques, a grid-based split-step method to propagate the wave packet during...... the pulse, and a bound and scattering states B-spline basis set calculation to extract the information from the former. We show that the orientation dependence of the above-threshold ionization spectra is very sensitive to the intensity of the field and to the final electron energy. For some intensities...

  12. Multi-frequency excitation

    KAUST Repository

    Younis, Mohammad I.

    2016-03-10

    Embodiments of multi-frequency excitation are described. In various embodiments, a natural frequency of a device may be determined. In turn, a first voltage amplitude and first fixed frequency of a first source of excitation can be selected for the device based on the natural frequency. Additionally, a second voltage amplitude of a second source of excitation can be selected for the device, and the first and second sources of excitation can be applied to the device. After applying the first and second sources of excitation, a frequency of the second source of excitation can be swept. Using the methods of multi- frequency excitation described herein, new operating frequencies, operating frequency ranges, resonance frequencies, resonance frequency ranges, and/or resonance responses can be achieved for devices and systems.

  13. Efficient treatment of an electroplating wastewater containing heavy metal ions, cyanide, and organics by H2O2 oxidation followed by the anodic Fenton process.

    Science.gov (United States)

    Zhao, Xu; Wang, Haidong; Chen, Fayuan; Mao, Ran; Liu, Huijuan; Qu, Jiuhui

    2013-01-01

    A real electroplating wastewater, containing heavy metals, cyanide, and organic contaminants, was treated by electrocoagulation (EC), H2O2 oxidation, H2O2 pre-oxidation followed by EC, and the anodic Fenton process and the efficacy of the processes was compared. Concentration of cyanide, Cu, Ni, Zn, and Cr was largely decreased by EC within 5 min. When the reaction time was extended, removal of residual cyanide, Cu, and Ni was limited. In H2O2 oxidation, the concentration of cyanide decreased from initial 75 to 12 mg L(-1) in 30 min. The effluents from the H2O2 oxidation were further treated by EC or anodic Fenton. In EC, the concentration of total cyanide, Ni, and Cu decreased to below 0.3, 0.5, and 1.5 mg L(-1), respectively. Removal efficiency of chemical oxygen demand by EC was less than 20.0%. By contrast, there was 73.5% reduction by the anodic Fenton process with 5 mM H2O2 at 30 min; this can be attributed to the oxidation induced by hydroxyl radicals generated by the reaction of H2O2 with the electrogenerated Fe(2+). Meanwhile, residual cyanide, Cu, and Ni can also be efficiently removed. Transformation of organic components in various processes was analyzed using UV-visible and fluorescence excitation-emission spectra.

  14. Theoretical studies of molecule surface scattering: Rotationally inelastic diffraction and dissociative dynamics of H2 on metals

    International Nuclear Information System (INIS)

    Cruz Pol, A.J.

    1993-01-01

    The interaction of H 2 and its isotopes with metal surfaces has been the subject of many investigations. The scattering experiments provide data such as the final rotational state distribution, sticking coefficients, kinetic energy distribution, and diffraction data. In the first study of this thesis the author implemented a model for looking at the rotationally inelastic diffraction probabilities for H 2 , HD, and D 2 , as a function of surface temperature. The surface is treated in a quantum mechanical fashion using a recently developed formalism. The center of mass translational motion is treated semiclassically using Gaussian wave packets, and the rotations are described quantum mechanically. The phonon summed rotation-diffraction probabilities as well as the probability distribution for a scattering molecule exchanging an amount of energy ΔE with the surface were computed. In the second and third study of this thesis the author implemented a mixed quantum-classical model to compute the probability for dissociation and rotational excitation for H 2 , HD, and D 2 scattered from Ni(100) dimensionally in dynamics simulations. Of the six degrees of freedom for the dissociative adsorption of a diatomic molecule on a static surface, the author treats Z,d the center of mass distance above the surface plan, r, the internuclear separation, θ, the polar orientation angle, quantum mechanically. The remaining three degrees of freedom, X and Y, the center of mass position on the surface plane, and oe, the azimuthal orientation angle, are treated classically. Probabilities for dissociation and ro-vibrational excitation are computed as a function of incident translational energy. Two sudden approximations are tested, in which either the center of mass translation parallel to the surface or the azimuthal orientation of the molecule are frozen. Comparisons are made between low and high dimensionality results and with fully classical results

  15. A role for H2S in the microcirculation of newborns: the major metabolite of H2S (thiosulphate is increased in preterm infants.

    Directory of Open Access Journals (Sweden)

    Rebecca M Dyson

    Full Text Available Excessive vasodilatation during the perinatal period is associated with cardiorespiratory instability in preterm neonates. Little evidence of the mechanisms controlling microvascular tone during circulatory transition exists. We hypothesised that hydrogen sulphide (H2S, an important regulator of microvascular reactivity and central cardiac function in adults and animal models, may contribute to the vasodilatation observed in preterm newborns. Term and preterm neonates (24-43 weeks gestational age were studied. Peripheral microvascular blood flow was assessed by laser Doppler. Thiosulphate, a urinary metabolite of H2S, was determined by high performance liquid chromatography as a measure of 24 hr total body H2S turnover for the first 3 days of postnatal life. H2S turnover was greatest in very preterm infants and decreased with increasing gestational age (p = 0.0001. H2S turnover was stable across the first 72 hrs of life in older neonates. In very preterm neonates, H2S turnover increased significantly from day 1 to 3 (p =0.0001; and males had higher H2S turnover than females (p = 0.04. A significant relationship between microvascular blood flow and H2S turnover was observed on day 2 of postnatal life (p = 0.0004. H2S may play a role in maintaining microvascular tone in the perinatal period. Neonates at the greatest risk of microvascular dysfunction characterised by inappropriate peripheral vasodilatation--very preterm male neonates--are also the neonates with highest levels of total body H2S turnover suggesting that overproduction of this gasotransmitter may contribute to microvascular dysfunction in preterms. Potentially, H2S is a target to selectively control microvascular tone in the circulation of newborns.

  16. I + (H2O)2 → HI + (H2O)OH Forward and Reverse Reactions. CCSD(T) Studies Including Spin-Orbit Coupling.

    Science.gov (United States)

    Wang, Hui; Li, Guoliang; Li, Qian-Shu; Xie, Yaoming; Schaefer, Henry F

    2016-03-03

    The potential energy profile for the atomic iodine plus water dimer reaction I + (H2O)2 → HI + (H2O)OH has been explored using the "Gold Standard" CCSD(T) method with quadruple-ζ correlation-consistent basis sets. The corresponding information for the reverse reaction HI + (H2O)OH → I + (H2O)2 is also derived. Both zero-point vibrational energies (ZPVEs) and spin-orbit (SO) coupling are considered, and these notably alter the classical energetics. On the basis of the CCSD(T)/cc-pVQZ-PP results, including ZPVE and SO coupling, the forward reaction is found to be endothermic by 47.4 kcal/mol, implying a significant exothermicity for the reverse reaction. The entrance complex I···(H2O)2 is bound by 1.8 kcal/mol, and this dissociation energy is significantly affected by SO coupling. The reaction barrier lies 45.1 kcal/mol higher than the reactants. The exit complex HI···(H2O)OH is bound by 3.0 kcal/mol relative to the asymptotic limit. At every level of theory, the reverse reaction HI + (H2O)OH → I + (H2O)2 proceeds without a barrier. Compared with the analogous water monomer reaction I + H2O → HI + OH, the additional water molecule reduces the relative energies of the entrance stationary point, transition state, and exit complex by 3-5 kcal/mol. The I + (H2O)2 reaction is related to the valence isoelectronic bromine and chlorine reactions but is distinctly different from the F + (H2O)2 system.

  17. NK cell receptor/H2-Dk-dependent host resistance to viral infection is quantitatively modulated by H2q inhibitory signals.

    Science.gov (United States)

    Fodil-Cornu, Nassima; Loredo-Osti, J Concepción; Vidal, Silvia M

    2011-04-01

    The cytomegalovirus resistance locus Cmv3 has been linked to an epistatic interaction between two loci: a Natural Killer (NK) cell receptor gene and the major histocompatibility complex class I (MHC-I) locus. To demonstrate the interaction between Cmv3 and H2(k), we generated double congenic mice between MA/My and BALB.K mice and an F(2) cross between FVB/N (H-2(q)) and BALB.K (H2(k)) mice, two strains susceptible to mouse cytomegalovirus (MCMV). Only mice expressing H2(k) in conjunction with Cmv3(MA/My) or Cmv3(FVB) were resistant to MCMV infection. Subsequently, an F(3) cross was carried out between transgenic FVB/H2-D(k) and MHC-I deficient mice in which only the progeny expressing Cmv3(FVB) and a single H2-D(k) class-I molecule completely controlled MCMV viral loads. This phenotype was shown to be NK cell-dependent and associated with subsequent NK cell proliferation. Finally, we demonstrated that a number of H2(q) alleles influence the expression level of H2(q) molecules, but not intrinsic functional properties of NK cells; viral loads, however, were quantitatively proportional to the number of H2(q) alleles. Our results support a model in which H-2(q) molecules convey Ly49-dependent inhibitory signals that interfere with the action of H2-D(k) on NK cell activation against MCMV infection. Thus, the integration of activating and inhibitory signals emanating from various MHC-I/NK cell receptor interactions regulates NK cell-mediated control of viral load.

  18. NK Cell Receptor/H2-Dk–Dependent Host Resistance to Viral Infection Is Quantitatively Modulated by H2 q Inhibitory Signals

    Science.gov (United States)

    Fodil-Cornu, Nassima; Loredo-Osti, J. Concepción; Vidal, Silvia M.

    2011-01-01

    The cytomegalovirus resistance locus Cmv3 has been linked to an epistatic interaction between two loci: a Natural Killer (NK) cell receptor gene and the major histocompatibility complex class I (MHC-I) locus. To demonstrate the interaction between Cmv3 and H2k, we generated double congenic mice between MA/My and BALB.K mice and an F2 cross between FVB/N (H-2q) and BALB.K (H2k) mice, two strains susceptible to mouse cytomegalovirus (MCMV). Only mice expressing H2k in conjunction with Cmv3MA/My or Cmv3FVB were resistant to MCMV infection. Subsequently, an F3 cross was carried out between transgenic FVB/H2-Dk and MHC-I deficient mice in which only the progeny expressing Cmv3FVB and a single H2-Dk class-I molecule completely controlled MCMV viral loads. This phenotype was shown to be NK cell–dependent and associated with subsequent NK cell proliferation. Finally, we demonstrated that a number of H2q alleles influence the expression level of H2q molecules, but not intrinsic functional properties of NK cells; viral loads, however, were quantitatively proportional to the number of H2q alleles. Our results support a model in which H-2q molecules convey Ly49-dependent inhibitory signals that interfere with the action of H2-Dk on NK cell activation against MCMV infection. Thus, the integration of activating and inhibitory signals emanating from various MHC-I/NK cell receptor interactions regulates NK cell–mediated control of viral load. PMID:21533075

  19. a simple a simple excitation control excitation control excitation

    African Journals Online (AJOL)

    eobe

    field voltages determined follow a simple quadratic relationship that offer a very simple control scheme, dependent on only the stator current. Keywords: saturated reactances, no-load field voltage, excitation control, synchronous generators. 1. Introduction. Introduction. Introduction. The commonest generator in use today is ...

  20. Post-Translational Modifications of H2A Histone Variants and Their Role in Cancer

    Directory of Open Access Journals (Sweden)

    David Corujo

    2018-02-01

    Full Text Available Histone variants are chromatin components that replace replication-coupled histones in a fraction of nucleosomes and confer particular characteristics to chromatin. H2A variants represent the most numerous and diverse group among histone protein families. In the nucleosomal structure, H2A-H2B dimers can be removed and exchanged more easily than the stable H3-H4 core. The unstructured N-terminal histone tails of all histones, but also the C-terminal tails of H2A histones protrude out of the compact structure of the nucleosome core. These accessible tails are the preferential target sites for a large number of post-translational modifications (PTMs. While some PTMs are shared between replication-coupled H2A and H2A variants, many modifications are limited to a specific histone variant. The present review focuses on the H2A variants H2A.Z, H2A.X, and macroH2A, and summarizes their functions in chromatin and how these are linked to cancer development and progression. H2A.Z primarily acts as an oncogene and macroH2A and H2A.X as tumour suppressors. We further focus on the regulation by PTMs, which helps to understand a degree of context dependency.

  1. The effect of host relaxation and dynamics on guest molecule dynamics in H2/tetrahydrofuranhydrate.

    Science.gov (United States)

    Peterson, Vanessa K; Shoko, Elvis; Kearley, Gordon J

    2011-01-01

    We use ab initio molecular dynamics simulations to obtain classically the effects of H2O cage motions on the potential-energy surface (PES) of encapsulated H2 in the H2/tetrahydrofuran-hydrate system. The significant differences between the PES for the H2 in rigid and flexible cages that we find will influence calculation of the quantum dynamics of the H2. Part of these differences arises from the relaxation of the H2O cage around the classical H2, with a second part arising from the coupling of both translational and rotational motions of H2 with the H20 cage. We find that isotopic substitution of 2H for 1H of the H2O cage affects the coupling, which has implications for experiments that require the use of 2H2O, including inelastic neutron scattering that uses 2H2O cages in order to focus on the H2 guest dynamics. Overall, this work emphasizes the importance of taking into account cage dynamics in any approach used to understand the dynamics of H2 guests in porous framework materials.

  2. Effect of H2 addition on combustion characteristics of dimethyl ether jet diffusion flame

    International Nuclear Information System (INIS)

    Kang, Yinhu; Lu, Xiaofeng; Wang, Quanhai; Gan, Lu; Ji, Xuanyu; Wang, Hu; Guo, Qiang; Song, Decai; Ji, Pengyu

    2015-01-01

    Highlights: • DME- and H 2 -dominated combustion regimes were quantitatively characterized. • The flame structure changed significantly when H 2 addition was above 60 vol.%. • An empirical correlation for normalized flame entrainment rate was developed. • The optimal H 2 addition to DME was 60 vol.% in the practical engineering. - Abstract: In this paper, experiments and numerical calculations were conducted to investigate the effect of H 2 addition on dimethyl ether (DME) jet diffusion flame behaviors, in terms of thermal and chemical structures, reaction zone size, flame entrainment, and NOx and CO emission indices. A wide range of H 2 additions from pure DME to pure H 2 were involved herein, while maintaining the volumetric flow rate of fuel mixture constant. The results indicate that when H 2 mole fraction in the fuel mixture exceeded 60%, the blended fuel was converted to H 2 -dominated. Besides, the flames behaved rather distinctly at the DME- and H 2 -dominated regimes. With the increment in H 2 addition, flame temperature, H 2 , H, O, and OH concentrations increased gradually, but concentrations of the intermediate hydrocarbons (such as CO, CH 2 O, CH 2 , and CH 3 ) decreased on the contrary. Additionally, after the flame became H 2 -dominated, the species concentrations varied increasingly quickly with H 2 addition. The reaction zone length and width decreased nearly linearly with H 2 addition at the DME- and H 2 -dominated regimes. But the decreasing speed of reaction zone length became faster after the flame was converted to H 2 -dominated. At the DME-dominated regime, the dependence of flame entrainment coefficient (C e ) on H 2 addition was rather small. While at the H 2 -dominated regime, C e increased increasingly quickly with H 2 addition. Moreover, with the increment in H 2 addition, NOx emission index increased and CO emission index decreased gradually. In addition, at the DME-dominated regime, NOx emission index increased fairly slowly

  3. Hydrothermal syntheses, structural, Raman, and luminescence studies of Cm[M(CN)2]3.3H2O and Pr[M(CN)2]3.3H2O (M=Ag, Au)

    International Nuclear Information System (INIS)

    Assefa, Zerihun; Haire, Richard G.; Sykora, Richard E.

    2008-01-01

    We have prepared Cm[Au(CN) 2 ] 3 .3H 2 O and Cm[Ag(CN) 2 ] 3 .3H 2 O as a part of our continuing investigations into the chemistry of the 5f-elements' dicyanometallates. Single crystals of Cm[Au(CN) 2 ] 3 .3H 2 O were obtained from the reaction of CmCl 3 and KAu(CN) 2 under mild hydrothermal conditions. Due to similarities in size, the related praseodymium compounds were also synthesized and characterized for comparison with the actinide systems. The compounds crystallize in the hexagonal space group P6 3 /mcm, where the curium and the transition metals interconnect through cyanide bridging. Crystallographic data (Mo Kα, λ=0.71073 A): Cm[Au(CN) 2 ] 3 .3H 2 O (1), a=6.6614(5) A, c=18.3135(13) A, V=703.77(9), Z=2; Pr[Au(CN) 2 ] 3 .3H 2 O (3), a=6.6662(8) A, c=18.497(3) A, V=711.83(17), Z=2; Pr[Ag(CN) 2 ] 3 .3H 2 O (4), a=6.7186(8) A, c=18.678(2) A, V=730.18(14), Z=2. The Cm 3+ and/or Pr 3+ ions are coordinated to six N-bound CN - groups resulting in a trigonal prismatic arrangement. Three oxygen atoms of coordinated water molecules tricap the trigonal prismatic arrangement providing a coordination number of nine for the f-elements. The curium ions in both compounds exhibit a strong red emission corresponding to the 6 D 7/2 → 8 S 7/2 transition. This transition is observed at 16,780 cm -1 , with shoulders at 17,080 and 16,840 cm -1 for the Ag complex, while the emission is red shifted by ∼100 cm -1 in the corresponding gold complex. The Pr systems also provide well-resolved emissions upon f-f excitation. - Graphical abstract: Coordination polymeric compounds between a trans-plutonium element, curium and transition metal ions, gold(I) and silver(I), were prepared using the hydrothermal synthetic procedure. The curium ion and the transition metals are interconnected through cyanide bridging. The Cm ion has a tricapped trigonal prismatic coordination environment with coordination number of nine. Detail photoluminescence studies of the complexes are also reported

  4. Study of NaBH4 reaction with RhCl3·4H2O and H2PtCl6·6H2O in dimethylformamide

    International Nuclear Information System (INIS)

    Khain, V.S.; Val'kova, V.P.

    1988-01-01

    Data on study of NaBH 4 reactions with RhCl 3 x4H 2 O and H 2 PtCl 6 x6H 2 O in dimethylformamide, which is a good solvent of both complex hydride and compounds of platinum metals are presented. Rhodium (3) and platinum (4) reduction by sodium tetrahydridoborate in dimethylformamide proceeds quantitatively up to element state. Depositions of powder-like rhodium and platinum or their sols stable up to 8 months are formed depending on the ratio of concentrations of the reacting substances. Stoichiometry of redox-reactions is established based on spectrophotometric, gasovolumetric measurements,

  5. Bimolecular reaction of CH3 + CO in solid p-H2: Infrared absorption of acetyl radical (CH3CO) and CH3-CO complex

    Science.gov (United States)

    Das, Prasanta; Lee, Yuan-Pern

    2014-06-01

    We have recorded infrared spectra of acetyl radical (CH3CO) and CH3-CO complex in solid para-hydrogen (p-H2). Upon irradiation at 248 nm of CH3C(O)Cl/p-H2 matrices, CH3CO was identified as the major product; characteristic intense IR absorption features at 2990.3 (ν9), 2989.1 (ν1), 2915.6 (ν2), 1880.5 (ν3), 1419.9 (ν10), 1323.2 (ν5), 836.6 (ν7), and 468.1 (ν8) cm-1 were observed. When CD3C(O)Cl was used, lines of CD3CO at 2246.2 (ν9), 2244.0 (ν1), 1866.1 (ν3), 1046.7 (ν5), 1029.7 (ν4), 1027.5 (ν10), 889.1 (ν6), and 723.8 (ν7) cm-1 appeared. Previous studies characterized only three vibrational modes of CH3CO and one mode of CD3CO in solid Ar. In contrast, upon photolysis of a CH3I/CO/p-H2 matrix with light at 248 nm and subsequent annealing at 5.1 K before re-cooling to 3.2 K, the CH3-CO complex was observed with characteristic IR features at 3165.7, 3164.5, 2150.1, 1397.6, 1396.4, and 613.0 cm-1. The assignments are based on photolytic behavior, observed deuterium isotopic shifts, and a comparison of observed vibrational wavenumbers and relative IR intensities with those predicted with quantum-chemical calculations. This work clearly indicates that CH3CO can be readily produced from photolysis of CH3C(O)Cl because of the diminished cage effect in solid p-H2 but not from the reaction of CH3 + CO because of the reaction barrier. Even though CH3 has nascent kinetic energy greater than 87 kJ mol-1 and internal energy ˜42 kJ mol-1 upon photodissociation of CH3I at 248 nm, its energy was rapidly quenched so that it was unable to overcome the barrier height of ˜27 kJ mol-1 for the formation of CH3CO from the CH3 + CO reaction; a barrierless channel for formation of a CH3-CO complex was observed instead. This rapid quenching poses a limitation in production of free radicals via bimolecular reactions in p-H2.

  6. Mechanism of calcium oxide excitation by atom hydrogen

    International Nuclear Information System (INIS)

    Kharlamov, V.F.

    1991-01-01

    Heterogeneous recombination of hydrogen atoms on the surface of calcium oxide proceeds according to the Langmuir-Hinshelwood mechanism with participation of atoms in two different states, belonging to adsorption centres of the same type. CaO excitation is broughty about by vibration-electron transitions during associative desorption of H 2 molecules

  7. Light Emission from the Fe2+-EGTA-H2O2 System: Possible Application for the Determination of Antioxidant Activity of Plant Phenolics

    Directory of Open Access Journals (Sweden)

    Michal Nowak

    2018-04-01

    Full Text Available Oxidative reactions can result in the formation of electronically excited species that undergo radiative decay depending on electronic transition from the excited state to the ground state with subsequent ultra-weak photon emission (UPE. We investigated the UPE from the Fe2+-EGTA (ethylene glycol-bis(β-aminoethyl ether-N,N,N′,N′-tetraacetic acid–H2O2 system with a multitube luminometer (Peltier-cooled photon counter, spectral range 380 to 630 nm. The UPE of 92.6 µmol/L Fe2+—185.2 µmol/L EGTA—2.6 mmol/L H2O2 reached 4319 ± 755 relative light units during 2 min measurement and was about seven times higher (p < 0.001 than the UPE of incomplete systems (Fe2+-H2O2, EGTA-H2O2 and medium alone. Substitution of Fe2+ with Cr2+, Co2+, Mn2+ or Cu2+ as well as of EGTA with EDTA (ethylenediaminetetraacetic acid or citrate completely abolished UPE. Experiments with ROS scavengers revealed the dependence of UPE on hydroxyl radicals suggesting occurrence of oxidative attack and cleavage of the ether bond in EGTA backbone structure and formation of triplet excited carbonyl groups with subsequent light emission. Plant phenolics (ferulic, chlorogenic and caffec acids at concentration 87 µmol/L and ascorbate at 0.46 mmol/L inhibited UPE by 90 ± 4%, 90 ± 5%, 97 ± 2% and 92 ± 1%, respectively. Quenching of UPE from Fe2+-EGTA-H2O2 system can be used for evaluation of antioxidant activity of phytochemicals.

  8. Ultra Low Air and H2 Permeability Cryogenic Bladder Materials for Inflatable Habitats, Phase I

    Data.gov (United States)

    National Aeronautics and Space Administration — NanoSonic has recently developed a hydrogen (H2) dispenser hose to realize H2 as a safe, reliable, and cost competitive replacement for gasoline. NanoSonic's...

  9. Nanoparticle formation in H2O/N-2 and H2O/Ar mixtures under irradiation by 20 MeV protons and positive corona discharge

    DEFF Research Database (Denmark)

    Imanaka, M.; Tomita, S.; Kanda, S.

    2010-01-01

    To investigate the contribution of ions to gas nucleation, we have performed experiments on the formation of water droplets in H2O/N-2 and H2O/Ar gas mixtures by irradiation with a 20 MeV proton beam and by positive corona discharge. The size of the formed nanoparticles was measured using...

  10. Soil carbon content and relative abundance of high affinity H2-oxidizing bacteria predict atmospheric H2 soil uptake activity better than soil microbial community composition

    NARCIS (Netherlands)

    Khdhiri, Mondher; Hesse, Laura; Popa, Maria Elena; Quiza, Liliana; Lalonde, Isabelle; Meredith, Laura K.; Röckmann, Thomas; Constant, Philippe

    2015-01-01

    Soil-atmosphere exchange of H2 is controlled by gas diffusion and the microbial production and oxidation activities in soil. Among these parameters, the H2 oxidation activity catalyzed by soil microorganisms harboring high affinity hydrogenase is the most difficult variable to parameterize because

  11. Decolorization and Mineralization of Reactive Dyes, by the H2O2/UV Process With Electrochemically Produced H2O2

    NARCIS (Netherlands)

    Jeric, T.; Bisselink, R.J.M.; Tongeren, W. van; Marechal. A.M. Le

    2013-01-01

    Decolorization of Reactive Red 238, Reactive Orange 16, Reactive Black 5 and Reactive Blue 4 was studied in the UV/H2O2 process with H2O2 being produced electrochemically. The experimental results show that decolorization increased considerably when switching on the electrochemical production of

  12. Structural Insights into the Association of Hif1 with Histones H2A-H2B Dimer and H3-H4 Tetramer.

    Science.gov (United States)

    Zhang, Mengying; Liu, Hejun; Gao, Yongxiang; Zhu, Zhongliang; Chen, Zijun; Zheng, Peiyi; Xue, Lu; Li, Jixi; Teng, Maikun; Niu, Liwen

    2016-10-04

    Histone chaperones are critical for guiding specific post-transcriptional modifications of histones, safeguarding the histone deposition (or disassociation) of nucleosome (dis)assembly, and regulating chromatin structures to change gene activities. HAT1-interacting factor 1 (Hif1) has been reported to be an H3-H4 chaperone and to be involved in telomeric silencing and nucleosome (dis)assembly. However, the structural basis for the interaction of Hif1 with histones remains unknown. Here, we report the complex structure of Hif1 binding to H2A-H2B for uncovering the chaperone specificities of Hif1 on binding to both the H2A-H2B dimer and the H3-H4 tetramer. Our findings reveal that Hif1 interacts with the H2A-H2B dimer and the H3-H4 tetramer via distinct mechanisms, suggesting that Hif1 is a pivotal scaffold on alternate binding of H2A-H2B and H3-H4. These specificities are conserved features of the Sim3-Hif1-NASP interrupted tetratricopeptide repeat proteins, which provide clues for investigating their potential roles in nucleosome (dis)assembly. Copyright © 2016 Elsevier Ltd. All rights reserved.

  13. Generation of H-, H2(v double-prime), and H atoms by H2+ and H3+ ions incident upon barium surfaces

    International Nuclear Information System (INIS)

    Hiskes, J.R.; Karo, A.M.

    1989-01-01

    The generation of vibrationally excited molecules by electron excitation collisions and the subsequent generation of negative ions by dissociative attachment to these molecules has become a standard model for volume source operation. These processes have been supplemented recently by the demonstration of atom-surface recombination to form vibrationally excited molecules, and enhanced negative ion formation by protons incident upon barium electrodes. In this paper we consider the additional processes of molecular vibrational excitation generated by recombination of molecular ions on the electrode surfaces, and negative ion formation by vibrationally excited molecules rebounding from low work-function electrodes. 10 refs., 4 figs

  14. Apolipoprotein B-containing lipoprotein particle assembly: Lipid capacity of the nascent lipoprotein particle

    Energy Technology Data Exchange (ETDEWEB)

    Manchekar, Medha; Forte, Trudy M.; Datta, Geeta; Richardson, Paul E.; Segrest, Jere P.; Dashti, Nassrin

    2003-12-01

    '' without a structural requirement for MTP; (2) amino acids between 931 to 1000 of apoB-100 are critical for the formation of a nascent lipoprotein particle, and (3) the ''lipid pocket'' created by the first 1000 amino acid residues of apoB-100 is PL-rich, suggesting a small bilayer type organization and has a maximum capacity on the order of 70 molecules of lipid. This model is supported by the allatom molecular model of the {beta}{alpha}{sub 1} lipid pocket presented in the accompanying paper.

  15. The Cs2SO4-Ce2(SO4)3-H2SO4-H2O system at 150 and 200 deg C

    International Nuclear Information System (INIS)

    Bondar', S.A.; Belokoskov, V.I.; Trofimov, G.V.

    1982-01-01

    Solubility in the system Cs 2 SO 4 -Ce 2 (SO 4 ) 3 -H 2 SO 4 -H 2 O using the isothermal method at 150 and 200 deg C at molar ratios Cs 2 SO 4 :Ce 2 (SO 4 ) 3 =1:5 and conditions of sulfate crystallization Cs 2 SO 4 xCe 2 (SO 4 ) 3 , Ce 2 (SO 4 ) 3 x0.5H 2 SO 4 xnH 2 O (n=2-3) and Ce 2 (SO 4 ) 3 x3H 2 SO 4 are determined. Double sulfate Cs 2 SO 4 xCe 2 (SO 4 ) 3 is studied using the methods of crystallooptical, thermal, X-ray phase analyses and IR spectroscopy

  16. Anomalous absorption in H2CN and CH2CN molecules

    Indian Academy of Sciences (India)

    Abstract. Structures of H2CN and CH2CN molecules are similar to that of H2CO mole- cule. The H2CO has shown anomalous absorption for its transition 111 − 110 at 4.8 GHz in a number of cool molecular clouds. Though the molecules H2CN and CH2CN have been identified in TMC-1 and Sgr B2 through some ...

  17. Exergetic and energetic comparison of LiCl-H_2O and LiBr-H_2O working pairs in a solar absorption cooling system

    International Nuclear Information System (INIS)

    Bellos, Evangelos; Tzivanidis, Christos; Antonopoulos, Kimon A.

    2016-01-01

    Highlights: • Two working pairs (LiCl-H_2O and LiBr-H_2O) are examined in a solar absorption chiller. • The examined single effect absorption chiller is driven by flat plate collectors. • The system is analyzed energetically and energetically for 3 ambient temperatures. • LiCl-H_2O performs better than LiBr-H_2O in all the examined cases. • The optimum operating temperature is lower for the case of pair LiCl-H_2O. - Abstract: The objective of this study is to investigate the use of an alternative working pair in a solar absorption cooling system. LiCl-H_2O is the new examined pair and it is compared energetically and exegetically with the conventional pair LiBr-H_2O, which is the most usual in air-conditioning applications. The simplest solar cooling system is analyzed in order to focus in the comparison between these working fluids. Specifically, flat plate collectors, coupled with a storage tank, feed the single effect absorption chiller which produces 250 kW cooling at 10 °C. The two pairs are examined parametrically for various heat source temperature levels and for three ambient temperature levels (25 °C, 30 °C and 35 °C). The minimization of the collecting area, which means maximum exergetic efficiency, is the optimization goal in every case. The final results show that LiCl-H_2O pair performs better in all cases by giving greater exergetic efficiency. More specifically, about 8% lower collecting area is required to cover the demanded cooling load with this working pair. Another interesting result is that the optimum heat source temperature for the LiCl-H_2O is roughly lower than the respective for the LiBr-H_2O. The system is analyzed in steady state with the commercial software Engineering Equator Solver (EES).

  18. Reassessing the variability in atmospheric H2 using the two-way nested TM5 model

    Energy Technology Data Exchange (ETDEWEB)

    Pieterse, G.; Batenburg, A.M; Roeckmann, T. [Institute for Marine and Atmospheric Research Utrecht (IMAU), Utrecht (Netherlands); Krol, M.C. [Department of Meteorology and Air Quality at Wageningen University, Wageningen (Netherlands); Brenninkmeijer, C.A.M. [Max-Planck-Institut fuer Chemie, Air Chemistry Division, Mainz (Germany); Popa, M.E.; Vermeulen, A.T. [Department of Air Quality and Climate Research at the Energy Research Centre of the Netherlands ECN, Petten (Netherlands); O' Doherty, S.; Grant, A. [School of Chemistry, University of Bristol, Bristol (United Kingdom); Steele, L.P.; Krummel, P.B.; Langenfelds, R.L. [Centre for Australian Weather and Climate Research, CSIRO Marine and Atmospheric Research, Aspendale, Victoria (Austria); Wang, H.J. [School of Earth and Atmospheric Sciences, Georgia Institute of Technology, Atlanta, GA (United States); Schmidt, M.; Yver, C. [Laboratoire des Sciences du Climat et de l' Environnement (LSCE), Gif-sur-Yvette (France); Jordan, A. [Max-Planck Institut fuer Biogeochemie, Jena (Germany); Engel, A. [Institut fuer Meteorologie und Geophysik, Goethe-Universitaet Frankfurt, Frankfurt (Germany); Fisher, R.E.; Lowry, D.; Nisbet, E.G. [Department of Earth Sciences, Royal Holloway, University of London, Egham (United Kingdom); Reimann, S.; Vollmer, M.K.; Steinbacher, M. [Empa, Swiss Federal Institute for Materials Science and Technology, Laboratory for Air Pollution/Environmental Technology, Duebendorf (Switzerland); Hammer, S. [Institut fuer Umweltphysik, Heidelberg Universitaet, Heidelberg (Germany); Forster, G.; Sturges, W.T. [School of Environmental Sciences, University of East Anglia, Norwich (United Kingdom)

    2013-05-16

    This work reassesses the global atmospheric budget of H2 with the TM5 model. The recent adjustment of the calibration scale for H2 translates into a change in the tropospheric burden. Furthermore, the ECMWF Reanalysis-Interim (ERA-Interim) data from the European Centre for Medium-Range Weather Forecasts (ECMWF) used in this study show slower vertical transport than the operational data used before. Consequently, more H2 is removed by deposition. The deposition parametrization is updated because significant deposition fluxes for snow, water, and vegetation surfaces were calculated in our previous study. Timescales of 1-2h are asserted for the transport of H2 through the canopies of densely vegetated regions. The global scale variability of H2 and {rho}({Delta}H2) is well represented by the updated model. H2 is slightly overestimated in the Southern Hemisphere because too little H2 is removed by dry deposition to rainforests and savannahs. The variability in H2 over Europe is further investigated using a high-resolution model subdomain. It is shown that discrepancies between the model and the observations are mainly caused by the finite model resolution. The tropospheric burden is estimated at 165{+-}8 Tg H2. The removal rates of H2 by deposition and photochemical oxidation are estimated at 53{+-}4 and 23{+-}2 Tg H2/yr, resulting in a tropospheric lifetime of 2.2{+-}0.2 year.

  19. File list: His.PSC.10.H2APERIODZac.AllCell [Chip-atlas[Archive

    Lifescience Database Archive (English)

    Full Text Available His.PSC.10.H2APERIODZac.AllCell mm9 Histone H2A.Zac Pluripotent stem cell SRX111870... http://dbarchive.biosciencedbc.jp/kyushu-u/mm9/assembled/His.PSC.10.H2APERIODZac.AllCell.bed ...

  20. File list: His.PSC.05.H2APERIODZac.AllCell [Chip-atlas[Archive

    Lifescience Database Archive (English)

    Full Text Available His.PSC.05.H2APERIODZac.AllCell mm9 Histone H2A.Zac Pluripotent stem cell SRX111870... http://dbarchive.biosciencedbc.jp/kyushu-u/mm9/assembled/His.PSC.05.H2APERIODZac.AllCell.bed ...

  1. Sampled-data and discrete-time H2 optimal control

    NARCIS (Netherlands)

    Trentelman, Harry L.; Stoorvogel, Anton A.

    1993-01-01

    This paper deals with the sampled-data H2 optimal control problem. Given a linear time-invariant continuous-time system, the problem of minimizing the H2 performance over all sampled-data controllers with a fixed sampling period can be reduced to a pure discrete-time H2 optimal control problem. This

  2. Overview of the Hydrogen Financial Analysis Scenario Tool (H2FAST); NREL (National Renewable Energy Laboratory)

    Energy Technology Data Exchange (ETDEWEB)

    Melaina, Marc; Bush, Brian; Penev, Michael

    2015-05-12

    This presentation provides an introduction to the Hydrogen Financial Analysis Scenario Tool (H2FAST) and includes an overview of each of the three versions of H2FAST: the Web tool, the Excel spreadsheet version, and the beta version of the H2FAST Business Case Scenario tool.

  3. Process for the production of heavy water by H2-methylamine isotopic exchange

    International Nuclear Information System (INIS)

    Briec, M.; Ravoire, J.; Rostaing, M.

    1977-01-01

    An isotopic exchange process for separating D 2 from H 2 is presented. The H 2 -monomethylamine system is studied on the laboratory scale (kinetics, H 2 solubility, thermal stability and solubility of the catalyst) and on the pilot plant scale (operating conditions and economics) [fr

  4. 17 CFR 240.17h-2T - Risk assessment reporting requirements for brokers and dealers.

    Science.gov (United States)

    2010-04-01

    ... requirements for brokers and dealers. 240.17h-2T Section 240.17h-2T Commodity and Securities Exchanges... Organizations § 240.17h-2T Risk assessment reporting requirements for brokers and dealers. (a) Reporting requirements of risk assessment information required to be maintained by section 240.17h-1T. (1) Every broker...

  5. The system Ba(H2PO4)2-Sr(H2PO4)2-H3PO4(30%)-H2O at 25, 40 and 60 deg C

    International Nuclear Information System (INIS)

    Taranenko, N.P.; Serebrennikova, G.M.; Stepin, B.D.; Oboznenko, Yu.V.

    1982-01-01

    The system Ba(H 2 PO 4 ) 2 -Sr(H 2 PO 4 ) 2 -H 3 PO 4 (30%)-H 2 O (25 deg C) belongs to eutonic type systems. Solubility isotherms of salt components at 40 and 60 deg C are calculated. Polytherms (25-60 deg C) of solubility of monosubstituted barium and strontium phosphates in 30-60% H 3 PO 4 are obtained. The value of cocrystallization coefficient of Sr 2 + and Ba(H 2 PO 4 ) 2 Dsub(Sr)=0.042+-0.005 remains stable in the temperature range of 25-60 deg C and concentrations 30-60% phosphoric acid at initial content [Sr 2 + ]=1x10 - 2 mass%

  6. Competitive roles of reagent vibration and translation in the exothermic proton transfer reaction H+2+Ar→HAr++H

    International Nuclear Information System (INIS)

    Bilotta, R.M.; Farrar, J.M.

    1981-01-01

    We present a crossed beam study of the title reaction at fixed collision energies of 1.2 and 2.3 eV with reagent H + 2 average vibrational energies of 0.44 and 0.89 eV; we also present data at fixed total energies with variable proportions of reagent vibrational and translational energy. At fixed collision energy, reagent vibrational excitation is found to have negligible effect on the total cross section for proton transfer. At fixed total energy, a decrease in reagent vibrational excitation with a corresponding increase in reagent translation leads to partial disposal of the incremental translation in product translation: At a total energy of 3.5 eV, 50% of this incremental reagent translation appears as product translation. At a total energy of 4.6 eV, 78% of the incremental translation appears in product translation. The experimental data are discussed in terms of induced attractive and repulsive energy release on an attractive potential surface. The role of noncollinear geometries and compressed reactant configurations is judged to be of substantial importance in assessing product rotational excitation and dissociation

  7. 75 FR 2879 - Identification of Foreign Countries Whose Nationals Are Eligible To Participate in the H-2A and H...

    Science.gov (United States)

    2010-01-19

    ... Countries Whose Nationals Are Eligible To Participate in the H-2A and H-2B Visa Programs AGENCY: Office of..., U.S. Citizenship and Immigration Services (USCIS) may only approve petitions for H-2A and H-2B... the H-2A and H-2B programs for the coming year. DATES: Effective Date: This notice is effective...

  8. 78 FR 4154 - Identification of Foreign Countries Whose Nationals Are Eligible To Participate in the H-2A and H...

    Science.gov (United States)

    2013-01-18

    ... Whose Nationals Are Eligible To Participate in the H-2A and H-2B Nonimmigrant Worker Programs AGENCY...) regulations, U.S. Citizenship and Immigration Services (USCIS) may approve petitions for H-2A and H-2B... participate in the H-2A and H-2B programs for the coming year. The list published today includes one new...

  9. Determination of local concentration of H2O molecules and gas temperature in the process of hydrogen – oxygen gas mixture heating by means of linear and nonlinear laser spectroscopy

    International Nuclear Information System (INIS)

    Kozlov, D N; Kobtsev, V D; Stel'makh, O M; Smirnov, Valery V; Stepanov, E V

    2013-01-01

    Employing the methods of linear absorption spectroscopy and nonlinear four-wave mixing spectroscopy using laserinduced gratings we have simultaneously measured the local concentrations of H 2 O molecules and the gas temperature in the process of the H 2 – O 2 mixture heating. During the measurements of the deactivation rates of pulsed-laser excited singlet oxygen O 2 (b 1 Σ + g ) in collisions with H 2 in the range 294 – 850 K, the joint use of the two methods made it possible to determine the degree of hydrogen oxidation at a given temperature. As the mixture is heated, H 2 O molecules are formed by 'dark' reactions of H 2 with O 2 in the ground state. The experiments have shown that the measurements of tunable diode laser radiation absorption along an optical path through the inhomogeneously heated gas mixture in a cell allows high-accuracy determination of the local H 2 O concentration in the O 2 laser excitation volume, if the gas temperature in this volume is known. When studying the collisional deactivation of O 2 (b 1 Σ + g ) molecules, the necessary measurements of the local temperature can be implemented using laser-induced gratings, arising due to spatially periodic excitation of O 2 (X 3 Σ - g ) molecules to the b 1 Σ + g state by radiation of the pump laser of the four-wave mixing spectrometer. (laser spectroscopy)

  10. Crystal structures of ZnCl2·2.5H2O, ZnCl2·3H2O and ZnCl2·4.5H2O

    Directory of Open Access Journals (Sweden)

    Erik Hennings

    2014-12-01

    Full Text Available The formation of different complexes in aqueous solutions is an important step in understanding the behavior of zinc chloride in water. The structure of concentrated ZnCl2 solutions is governed by coordination competition of Cl− and H2O around Zn2+. According to the solid–liquid phase diagram, the title compounds were crystallized below room temperature. The structure of ZnCl2·2.5H2O contains Zn2+ both in a tetrahedral coordination with Cl− and in an octahedral environment defined by five water molecules and one Cl− shared with the [ZnCl4]2− unit. Thus, these two different types of Zn2+ cations form isolated units with composition [Zn2Cl4(H2O5] (pentaaqua-μ-chlorido-trichloridodizinc. The trihydrate {hexaaquazinc tetrachloridozinc, [Zn(H2O6][ZnCl4]}, consists of three different Zn2+ cations, one of which is tetrahedrally coordinated by four Cl− anions. The two other Zn2+ cations are each located on an inversion centre and are octahedrally surrounded by water molecules. The [ZnCl4] tetrahedra and [Zn(H2O6] octahedra are arranged in alternating rows parallel to [001]. The structure of the 4.5-hydrate {hexaaquazinc tetrachloridozinc trihydrate, [Zn(H2O6][ZnCl4]·3H2O}, consists of isolated octahedral [Zn(H2O6] and tetrahedral [ZnCl4] units, as well as additional lattice water molecules. O—H...O hydrogen bonds between the water molecules as donor and ZnCl4 tetrahedra and water molecules as acceptor groups leads to the formation of a three-dimensional network in each of the three structures.

  11. Competition between weak OH···π and CH··O hydrogen bonds: THz spectroscopy of the C2H2H2O and C2H4—H2O complexes

    DEFF Research Database (Denmark)

    Andersen, Jonas; Heimdal, Jimmy; Nelander, B.

    2017-01-01

    an intermolecular CH⋯O hydrogen-bonded configuration of C2v symmetry with the H2O subunit acting as the hydrogen bond acceptor. The observation and assignment of two large-amplitude donor OH librational modes of the C2H4—H2O complex at 255.0 and 187.5 cm−1, respectively, confirms an intermolecular OH⋯π hydrogen...

  12. How Business Idea Fit Affects Sustainability and Creates Opportunities for Value Co-Creation in Nascent Firms

    Directory of Open Access Journals (Sweden)

    Gian Luca Casali

    2018-01-01

    Full Text Available A well-defined business idea is essential for nascent business sustainability in the future. The business idea must fit firm knowledge and resources to a profitable business opportunity. This work adopts the framework of value co-creation, strongly related to the service-dominant logic paradigm. We ask how does business idea fit affect new venture sustainability and create opportunities for value co-creation. We propose that a business idea that lacks fit is less sustainable, but it could create opportunities for value co-creation. This study develops and validates an empirically grounded taxonomy of business idea fit based on 729 Australian nascent firms using quantitative data generated from the results of a large study called CAUSEE (Comprehensive Australian Study of Entrepreneurial Emergence. A cluster analysis is used to identify distinct patterns of business idea fit. The empirical taxonomy developed in this study found four distinct clusters of firms, which were distinguished by the fit of their new business idea to knowledge, resources and market profitability: very good fit, low knowledge fit, low profit fit and low fit. Results show how these different patterns of fit create opportunities for value co-creation to create business future sustainability.

  13. Dual binding mode of the nascent polypeptide-associated complex reveals a novel universal adapter site on the ribosome.

    Science.gov (United States)

    Pech, Markus; Spreter, Thomas; Beckmann, Roland; Beatrix, Birgitta

    2010-06-18

    Nascent polypeptide-associated complex (NAC) was identified in eukaryotes as the first cytosolic factor that contacts the nascent polypeptide chain emerging from the ribosome. NAC is present as a homodimer in archaea and as a highly conserved heterodimer in eukaryotes. Mutations in NAC cause severe embryonically lethal phenotypes in mice, Drosophila melanogaster, and Caenorhabditis elegans. In the yeast Saccharomyces cerevisiae NAC is quantitatively associated with ribosomes. Here we show that NAC contacts several ribosomal proteins. The N terminus of betaNAC, however, specifically contacts near the tunnel exit ribosomal protein Rpl31, which is unique to eukaryotes and archaea. Moreover, the first 23 amino acids of betaNAC are sufficient to direct an otherwise non-associated protein to the ribosome. In contrast, alphaNAC (Egd2p) contacts Rpl17, the direct neighbor of Rpl31 at the ribosomal tunnel exit site. Rpl31 was also recently identified as a contact site for the SRP receptor and the ribosome-associated complex. Furthermore, in Escherichia coli peptide deformylase (PDF) interacts with the corresponding surface area on the eubacterial ribosome. In addition to the previously identified universal adapter site represented by Rpl25/Rpl35, we therefore refer to Rpl31/Rpl17 as a novel universal docking site for ribosome-associated factors on the eukaryotic ribosome.

  14. High fidelity visualization of cell-to-cell variation and temporal dynamics in nascent extracellular matrix formation.

    Science.gov (United States)

    McLeod, Claire M; Mauck, Robert L

    2016-12-12

    Extracellular matrix dynamics are key to tissue morphogenesis, homeostasis, injury, and repair. The spatiotemporal organization of this matrix has profound biological implications, but is challenging to monitor using standard techniques. Here, we address these challenges by using noncanonical amino acid tagging to fluorescently label extracellular matrix synthesized in the presence of bio-orthogonal methionine analogs. This strategy labels matrix proteins with high resolution, without compromising their distribution or mechanical function. We demonstrate that the organization and temporal dynamics of the proteinaceous matrix depend on the biophysical features of the microenvironment, including the biomaterial scaffold and the niche constructed by cells themselves. Pulse labeling experiments reveal that, in immature constructs, nascent matrix is highly fibrous and interdigitates with pre-existing matrix, while in more developed constructs, nascent matrix lacks fibrous organization and is retained in the immediate pericellular space. Inhibition of collagen crosslinking increases matrix synthesis, but compromises matrix organization. Finally, these data demonstrate marked cell-to-cell heterogeneity amongst both chondrocytes and mesenchymal stem cells undergoing chondrogenesis. Collectively, these results introduce fluorescent noncanonical amino acid tagging as a strategy to investigate spatiotemporal matrix organization, and demonstrate its ability to identify differences in phenotype, microenvironment, and matrix assembly at the single cell level.

  15. Nascent peptide-mediated translation elongation arrest coupled with mRNA degradation in the CGS1 gene of Arabidopsis

    Science.gov (United States)

    Onouchi, Hitoshi; Nagami, Yoko; Haraguchi, Yuhi; Nakamoto, Mari; Nishimura, Yoshiko; Sakurai, Ryoko; Nagao, Nobuhiro; Kawasaki, Daisuke; Kadokura, Yoshitomo; Naito, Satoshi

    2005-01-01

    Expression of the Arabidopsis CGS1 gene that codes for cystathionine γ-synthase is feedback regulated at the step of mRNA stability in response to S-adenosyl-L-methionine (AdoMet). A short stretch of amino acid sequence, called the MTO1 region, encoded by the first exon of CGS1 itself is involved in this regulation. Here, we demonstrate, using a cell-free system, that AdoMet induces temporal translation elongation arrest at the Ser-94 codon located immediately downstream of the MTO1 region, by analyzing a translation intermediate and performing primer extension inhibition (toeprint) analysis. This translation arrest precedes the formation of a degradation intermediate of CGS1 mRNA, which has its 5′ end points near the 5′ edge of the stalled ribosome. The position of ribosome stalling also suggests that the MTO1 region in nascent peptide resides in the ribosomal exit tunnel when translation elongation is temporarily arrested. In addition to the MTO1 region amino acid sequence, downstream Trp-93 is also important for the AdoMet-induced translation arrest. This is the first example of nascent peptide-mediated translation elongation arrest coupled with mRNA degradation in eukaryotes. Furthermore, our data suggest that the ribosome stalls at the step of translocation rather than at the step of peptidyl transfer. PMID:16027170

  16. On isospin excitation energy

    International Nuclear Information System (INIS)

    Li Wenfei; Zhang Fengshou; Chen Liewen

    2001-01-01

    Within the framework of Hartree-Fock theory using the extended Skyrme effective interaction, the isospin excitation energy as a function of relative neutron excess δ was investigated at different temperatures and densities. It was found that the isospin excitation energy decreased with the increment of temperature and/or the decrement of density. The authors pointed out that the decrement of isospin excitation energy was resulted from the weakening of quantum effect with increment of temperature and/or decrement of density. Meanwhile, the relationship between the isospin excitation energy and the symmetry energy was discussed and found that the symmetry energy was just a part of the isospin excitation energy. With increasing temperature and decreasing density, the contribution of the symmetry energy to the isospin excitation energy becomes more and more important. The isospin excitation energy as a function of relative neutron excess was also investigated using different potential parameters. The results shows that the isospin excitation energy is almost independent of the incompressibility and the effective mass, but strongly depends on the symmetry energy strength coefficient, which indicates that it is possible to extract the symmetry energy of the nuclear equation of state by investigating the isospin excitation energy in experiments

  17. Excited states 2

    CERN Document Server

    Lim, Edward C

    2013-01-01

    Excited States, Volume 2 is a collection of papers that deals with molecules in the excited states. The book describes the geometries of molecules in the excited electronic states. One paper describes the geometries of a diatomic molecule and of polyatomic molecules; it also discusses the determination of the many excited state geometries of molecules with two, three, or four atoms by techniques similar to diatomic spectroscopy. Another paper introduces an ordered theory related to excitons in pure and mixed molecular crystals. This paper also presents some experimental data such as those invo

  18. Excited states v.6

    CERN Document Server

    Lim, Edward C

    1982-01-01

    Excited States, Volume 6 is a collection of papers that discusses the excited states of molecules. The first paper discusses the linear polyene electronic structure and potential surfaces, considering both the theoretical and experimental approaches in such electronic states. This paper also reviews the theory of electronic structure and cites some experimental techniques on polyene excitations, polyene spectroscopic phenomenology, and those involving higher states of polyenes and their triplet states. Examples of these experimental studies of excited states involve the high-resolution one-pho

  19. Generation of H2 and CO by solar thermochemical splitting of H2O and CO2 by employing metal oxides

    International Nuclear Information System (INIS)

    Rao, C.N.R.; Dey, Sunita

    2016-01-01

    Generation of H 2 and CO by splitting H 2 O and CO 2 respectively constitutes an important aspect of the present-day concerns with energy and environment. The solar thermochemical route making use of metal oxides is a viable means of accomplishing these reduction reactions. The method essentially involves reducing a metal oxide by heating and passing H 2 O or CO 2 over the nonstoichiometric oxide to cause reverse oxidation by abstracting oxygen from H 2 O or CO 2 . While ceria, perovskites and other oxides have been investigated for this purpose, recent studies have demonstrated the superior performance of perovskites of the type Ln 1−x A x Mn 1−y M y O 3 (Ln=rare earth, A=alkaline earth, M=various +2 and +3 metal ions), in the thermochemical generation of H 2 and CO. We present the important results obtained hitherto to point out how the alkaine earth and the Ln ions, specially the radius of the latter, determine the performance of the perovskites. The encouraging results obtained are exemplefied by Y 0.5 Sr 0.5 MnO 3 which releases 483 µmol/g of O 2 at 1673 K and produces 757 µmol/g of CO from CO 2 at 1173 K. The production of H 2 from H 2 O is also quite appreciable. Modification of the B site ion of the perovskite also affects the performance. In addition to perovskites, we present the generation of H 2 based on the Mn 3 O 4 /NaMnO 2 cycle briefly. - Graphical abstract: Ln 0.5 A 0.5 Mn 1−x M x O 3 (Ln=lanthanide; A=Ca, Sr; M=Al, Ga, Sc, Mg, Cr, Fe, Co) perovskites are employed for the two step thermochemical splitting of CO 2 and H 2 O for the generation of CO and H 2 . - Highlights: • Perovskite oxides based on Mn are ideal for the two-step thermochemical splitting of CO 2 and H 2 O. • In Ln 1−x A x MnO 3 perovskite (Ln=rare earth, A=alkaline earth) both Ln and A ions play major roles in the thermochemical process. • H 2 O splitting is also achieved by the use of the Mn 3 O 4 -sodium carbonate system. • Thermochemical splitting of CO 2 and H

  20. Engaging the public in the nascent era of gravitational-wave astronomy

    Science.gov (United States)

    Hendry, Martin A.

    2015-08-01

    Within the next few years a global network of ground-based laser interferometers will become fully operational. These ultra-sensitive instruments are confidently expected to directly detect gravitational waves from astrophysical sources before the end of the decade. In anticipation of opening this entirely new window on the Universe, the LIGO (Laser Interferometer Gravitational Wave Observatory) Scientific Collaboration has recently developed a substantive program of education and public outreach activities that includes exhibitions, documentary films, social media and interactive games - as well as more traditional modes of science communication such as schools and public lectures.As the gravitational wave 'detection era' unfolds over the next decade, it will present exciting challenges for future public engagement by the LIGO Scientific Collaboration and by other gravitational-wave astronomy collaborations around the world. Perhaps the most interesting opportunities will be in the area of citizen science, building upon the infrastructure already being developed through e.g. the LIGO Open Science Center (see arXiv:1410.4839) and the remarkable success of the Einstein@Home project (www.einsteinathome.org).In this presentation I will give an overview of the LSC education and public outreach program, highlighting its goals, major successes and future strategy - particularly in relation to the release of future LIGO and other gravitational wave datasets to the scientific community and to the public, and the opportunities this will present for directly engaging citizen scientists in this exciting new field of observational astronomy.