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Sample records for photonuclear reaction yields

  1. A convenient method for experimental determination of yields and isomeric ratios in photonuclear reactions measured by the activation technique

    NASA Astrophysics Data System (ADS)

    Kolev, D.; Dobreva, E.; Nenov, N.; Todorov, V.

    1995-02-01

    A generalized exact formula is derived for a determination of the experimental isomeric ratio in any incident particle activation. For the particular case, when the activity of the ground state results from the simultaneous decay of both states and can be conveniently measured, the appropriate modification of this formula is evaluated and applied to six photonuclear reactions induced by 43 MeV bremsstrahlung. The experimental isomeric yield ratios of (γ, 3n) 110m,gIn; (γ, p) (γ, pn), (γ, 2n2p) 117m,gIn; (γ, n) 164m,gHo and (γ, 3n) 162m,gHo are deduced.

  2. Systematization of the yields of products of photonuclear reactions on enriched-tin targets at the bremsstrahlung-photon endpoint energy of 4.5 GeV

    NASA Astrophysics Data System (ADS)

    Balabekyan, A. R.

    2008-11-01

    Yields of photonuclear-reaction products formed in targets from separated tin isotopes under the effect of beams of bremsstrahlung photons whose endpoint energy is 4.5 GeV were investigated. The systematization performed on this basis revealed an isoscaling character of the behavior of the production yields for various regions of reaction-product masses.

  3. Photonuclear reactions on titanium isotopes

    SciTech Connect

    Belyshev, S. S.; Dzhilavyan, L. Z.; Ishkhanov, B. S.; Kapitonov, I. M.; Kuznetsov, A. A. Orlin, V. N.; Stopani, K. A.

    2015-03-15

    The photodisintegration of titanium isotopes in the giant-dipole-resonance energy region is studied by the photon-activation method. Bremsstrahlung photons whose spectrum has the endpoint energy of 55 MeV is used. The yields and integrated cross sections are determined for photoproton reactions on the titanium isotopes {sup 47,48,49,50}Ti. The respective experimental results are compared with their counterparts calculated on the basis of the TALYS code and a combined photonucleon-reaction model. The TALYS code disregards the isospin structure of the giant dipole resonance and is therefore unable to describe the yield of photoproton reactions on the heavy titanium isotopes {sup 49,50}Ti.

  4. Shadowing in low-energy photonuclear reactions

    NASA Astrophysics Data System (ADS)

    Das, Swapan

    2017-09-01

    The photonuclear reaction in the multi-GeV region occurs because of the electromagnetic and hadronic interactions. The latter originates due to the hadronic fluctuation, i.e., vector meson, of the photon. The total cross section of the reaction is shadowed because of the vector meson-nucleus (hadronic) interaction. To estimate it quantitatively, the cross section of the photonuclear reaction was calculated in the low energy region (˜1 -3 GeV) using the simple vector-meson dominance (SVMD) model, i.e., the low-lying vector mesons (ρ0, ω , and ϕ mesons) were considered. The nuclear shadowing is reinvestigated using the generalized vector meson (GVMD) model, where the higher ρ meson effective state (ρ' meson) is taken into account along with the low-lying vector mesons. Using the GVMD model, the total cross section of the photonuclear reaction are calculated in the above mentioned energy region. The calculated results are compared with the measured spectra.

  5. Calculation of two-neutron multiplicity in photonuclear reactions

    NASA Technical Reports Server (NTRS)

    Norbury, John W.; Townsend, Lawrence W.

    1990-01-01

    The most important particle emission processes for electromagnetic excitations in nucleus-nucleus collisions are the ejection of single neutrons and protons and also pairs of neutrons and protons. Methods are presented for calculating two-neutron emission cross sections in photonuclear reactions. The results are in a form suitable for application to nucleus-nucleus reactions.

  6. Photonuclear reaction to test cluster structure of Lithium

    SciTech Connect

    Akkurt, Iskender

    2008-11-11

    The lithium can be pictured as an {alpha} particle with 2 extra nucleon surrounding it. A photonuclear reaction experiment has been performed to test this structure at Maxlab in Lund-Sweden. The cross-section of the {sup 6}Li({gamma},n) reaction have been measured using TOF methods and the results were compared with results of {sup 6}Li({gamma},p) and also {sup 4}He({gamma},n) reaction.

  7. Production of medical 99 m Tc isotope via photonuclear reaction

    NASA Astrophysics Data System (ADS)

    Fujiwara, M.; Nakai, K.; Takahashi, N.; Hayakawa, T.; Shizuma, T.; Miyamoto, S.; Fan, G. T.; Takemoto, A.; Yamaguchi, M.; Nishimura, M.

    2017-01-01

    99 m Tc with a 6 hour half-life is one of the most important medical isotopes used for the Single-Photon Emission Computed Tomography (SPECT) inspection in hospitals of US, Canada, Europe and Japan. 99 m Tc isotopes are extracted by the milking method from parent 99Mo isotopes with a 66 hour half-life. The supply of 99Mo isotopes now encounters a serious crisis. Hospitals may not suitably receive 99Mo medical isotopes in near future, due to difficulties in production by research nuclear reactors. Many countries are now looking for alternative ways to generate 99Mo isotopes other than those with research reactors. We discuss a sustained availability of 99 m Tc isotopes via the nat Mo(γ, n) photonuclear reaction, and discuss to solve technical problems for extracting pure 99 m Tc isotopes from other output materials of photonuclear reactions.

  8. Isomer ratios for products of photonuclear reactions on 121Sb

    NASA Astrophysics Data System (ADS)

    Bezshyyko, Oleg; Dovbnya, Anatoliy; Golinka-Bezshyyko, Larisa; Kadenko, Igor; Vodin, Oleksandr; Olejnik, Stanislav; Tuller, Gleb; Kushnir, Volodymyr; Mitrochenko, Viktor

    2017-09-01

    Over the past several years various preequilibrium model approaches for nuclear reactions were developed. Diversified detailed experimental data in the medium excitation energy region for nucleus are needed for reasonable selection among these theoretical models. Lack of experimental data in this energy region does essentially limit the possibilities for analysis and comparison of different preequilibrium theoretical models. For photonuclear reactions this energy region extends between bremsstrahlung energies nearly 30-100 MeV. Experimental measurements and estimations of isomer ratios for products of photonuclear reactions with multiple particle escape on antimony have been performed using bremsstrahlung with end-point energies 38, 43 and 53 MeV. Method of induced activity measurement was applied. For acquisition of gamma spectra we used HPGe spectrometer with 20% efficiency and energy resolution 1.9 keV for 1332 keV gamma line of 60Co. Linear accelerator of electrons LU-40 was a source of bremsstrahlung. Energy resolution of electron beam was about 1% and mean current was within (3.8-5.3) μA.

  9. Transition energy and half-life determinations of photonuclear reaction products of erbium nuclei

    NASA Astrophysics Data System (ADS)

    Bayram, Tuncay; Akkoyun, Serkan; Uruk, Serhat; Dapo, Haris; Dulger, Fatih; Boztosun, Ismail

    Photon induced reactions are called as photonuclear reactions and used in many research fields of nuclear science and nuclear physics. The photonuclear data are used in many nuclear applications such as radiation shielding and protection, radiation transport analyses, reactor core design, activation analysis and nuclear waste transmutation. In the past, many studies had been devoted to extract photonuclear data covering the isotopic chart. However, there is still lack of existing data. In the present study, we have performed photonuclear reactions on erbium (Er) target by using clinical electron linear accelerators (cLINAC). By using measured residual activity of photonuclear reaction products of Er nuclei, we have determined the half-life of 161Er nucleus and transition energies of 161Ho nucleus. Also, new measurements on gamma-ray energies of the products have been determined accurately. Furthermore, this study shows that repurposed cLINAC with limited budget can contribute to the global nuclear science knowledge.

  10. Formation of medical radioisotopes 111In, 117 m Sn, 124Sb, and 177Lu in photonuclear reactions

    NASA Astrophysics Data System (ADS)

    Danagulyan, A. S.; Hovhannisyan, G. H.; Bakhshiyan, T. M.; Avagyan, R. H.; Avetisyan, A. E.; Kerobyan, I. A.; Dallakyan, R. K.

    2015-06-01

    The possibility of the photonuclear production of radioisotopes 111In, 117 m Sn, 124Sb, and 177Lu is discussed. Reaction yields were measured by the gamma-activation method. The enriched tin isotopes 112, 118Sn and Te and HfO2 of natural isotopic composition were used as targets. The targets were irradiated at the linear electron accelerator of Alikhanian National Science Laboratory (Yerevan) at the energy of 40 MeV. The experimental results obtained in this way reveal that the yield and purity of radioisotopes 111In and 117 mSn are acceptable for their production via photonuclear reactions. Reactions proceeding on targets from Te and HfO2 of natural isotopic composition and leading to the formation of 124Sb and 177Lu have small yields and are hardly appropriate for the photoproduction of these radioisotopes even in the case of enriched targets.

  11. Cu-67 Photonuclear Production

    SciTech Connect

    Starovoitova, Valeriia; Harris, Jason; Segebade, Christian R.; Sinha, Vaibhav; Wells, Douglas P.; Foote, Davy; Makarashvili, Vakhtang

    2011-06-01

    Cu-67 is considered as one of the most promising radioisotopes for cancer therapy with monoclonal antibodies. Current production schemes using high-flux reactors and cyclotrons do not meet potential market need. In this paper we discuss Cu-67 photonuclear production through the reaction Zn-68({gamma},p)Cu-67. Computer simulations were done together with experiments to study and optimize Cu-67 yield in natural Zn target. The data confirms that the photonuclear method has potential to produce large quantities of the isotope with sufficient purity to be used in medical field.

  12. Cu-67 Photonuclear Production

    NASA Astrophysics Data System (ADS)

    Starovoitova, Valeriia; Foote, Davy; Harris, Jason; Makarashvili, Vakhtang; Segebade, Christian R.; Sinha, Vaibhav; Wells, Douglas P.

    2011-06-01

    Cu-67 is considered as one of the most promising radioisotopes for cancer therapy with monoclonal antibodies. Current production schemes using high-flux reactors and cyclotrons do not meet potential market need. In this paper we discuss Cu-67 photonuclear production through the reaction Zn-68(γ,p)Cu-67. Computer simulations were done together with experiments to study and optimize Cu-67 yield in natural Zn target. The data confirms that the photonuclear method has potential to produce large quantities of the isotope with sufficient purity to be used in medical field.

  13. Energy Levels and Half-Lives of Gallium Isotopes Obtained by Photo-Nuclear Reaction

    NASA Astrophysics Data System (ADS)

    Dulger, F.; Akkoyun, S.; Bayram, T.; Dapo, H.; Boztosun, I.

    2015-04-01

    We have run an experiment to determine the energy levels and half-lives of Gallium nucleus by using the photonuclear reactions with end-point energy of 18 MeV bremsstrahlung photons, produced by a clinical linear accelerator. As a result of 71Ga(y,n)70Ga and 69Ga(Y,n)68Ga photonuclear reactions, the energy levels and half-lives of 70Ga and 68Ga nuclei have been determined. The results are in good agreement with the literature values.

  14. The ``light-est'' of all Projectiles: Nuclear Structure Studies Using Photonuclear Reactions

    NASA Astrophysics Data System (ADS)

    Pietralla, Norbert

    2014-03-01

    Nuclear reactions induced by photons have had and continue to have a large impact on the course of nuclear physics. Photons interact purely electromagnetically with the atomic nucleus and induce minimal momentum transfer at given excitation energy. Photonuclear reaction processes can be expanded in terms of QED and photonuclear excitations are by far dominated by one-step processes. They allow for a model independent measurement of nuclear observables and, hence, for a clean characterization of effective nuclear forces. Apart from the pioneering photonuclear reactions by Bothe and Gentner in the 1930s, bremsstrahlung has been used most widely as an intense source of gamma-rays for photonuclear reactions from the 1940s until today. The nuclear dipole strength distribution has largely been mapped out at bremsstrahlung facilities. While the continuous-energy distribution of bremsstrahlung photons offers a complete view of the spectrum of photonuclear excitations, it suffers from a poor sensitivity to specific energy intervals. Intense, energy-tunable, quasi-monochromatic gamma-ray beams from laser-Compton backscattering processes have revolutionized the field of photonuclear reactions for the last ten years. A set of new techniques is under development and new information on fundamental nuclear modes, such as the IVGDR, IVGQR, Pygmy Dipole Resonance, and the Scissors Mode, has recently been obtained. We will attempt to give a brief overview of the state of the art and dare an outlook at the research opportunities at the next generation of gamma-ray facilities under construction in the U.S. and Europe. Supported by the DFG under grant No. SFB634.

  15. Photonuclear reaction as a probe for α -clustering nuclei in the quasi-deuteron region

    NASA Astrophysics Data System (ADS)

    Huang, B. S.; Ma, Y. G.; He, W. B.

    2017-03-01

    Photon-nuclear reaction in a transport model frame, namely an extended quantum molecular dynamics model, has been realized at the photon energy of 70-140 MeV in the quasi-deuteron regime. For an important application, we pay a special focus on photonuclear reactions of 12C(γ ,n p )10B where 12C is considered as different configurations including α clustering. Obvious differences for some observables have been observed among different configurations, which can be attributed to spatial-momentum correlation of a neutron-proton pair inside nucleus, and therefore it gives us a sensitive probe to distinguish the different configurations including α clustering with the help of the photonuclear reaction mechanism.

  16. Photonuclear reactions on the cadmium isotopes {sup 106,108}Cd at the bremsstrahlung endpoint energy of 55.5 MeV

    SciTech Connect

    Belyshev, S. S.; Kuznetsov, A. A.; Stopani, K. A. Khankin, V. V.

    2016-09-15

    The gamma-activation technique was used to measure the absolute yields of photonuclear reactions on the cadmium isotopes {sup 106,108}Cd. The results obtained in this way were compared with the results of the calculations based on the statistical model. For reactions on the isotope {sup 108}Cd, agreement between these theoretical and experimental results is good, but the experimental ratio of the yields of photoproton and photoneutron reactions on the isotope {sup 106}Cd differs substantially from its theoretical counterpart. The results of our present study are discussed from the point of view of the production of bypassed nuclei in the p-process of nucleosynthesis.

  17. A Study of Thick-Target X-Ray Spectra Using Photonuclear Reactions

    DTIC Science & Technology

    1983-01-01

    spectra obtained by computer simulatiqnyere used to calculate the photonuclear cross section of the Up-(* »2p) Na reaction from 25 to 33 MeV. The...and Seltzer (51) 121 24. Comparison of the O’Dell spectrum calculated in this work with the spectrum of Ferdinande (53) 122 25 . Comparison of...the O’Dell spectrum calculated In this work with the experimental data of O’Dell (79) 124 26. Sagittaire photon I (flattened) and photon II 25 HeV

  18. Calculation of photo-nuclear reaction cross sections for 16O

    NASA Astrophysics Data System (ADS)

    Arasoglu, Ali; Faruk Ozdemir, Omer

    2015-07-01

    Because of the high thermal expansion coefficient of uranium, the fuel used in nuclear power plants is usually in the form of UO2 which has ceramic structure and small thermal expansion coefficient. UO2 include one uranium atom and two oxygen atoms. After fission progress, total energy values of emitted gamma are about 14 MeV. This gamma energy may cause transmutation of 16O isotopes. Transmutation of 16O isotopes changes physical properties of nuclear fuel. Due to above explanations, it is very important to calculate photo-nuclear reaction cross sections of 16O. In this study; for (γ,p), (γ,np), (γ,n) and (γ,2n) reactions of 16O, photo-nuclear reaction cross-sections were calculated using different models for pre-equilibrium and equilibrium effects. Taking incident gamma energy values up to 40 MeV, Hybrid and Cascade Exciton Models were used for pre-equilibrium calculations and Weisskopf-Ewing (Equilibrium) Model was used for equilibrium model calculations. Calculation results were compared with experimental and theoretical data. While experimental results were obtained from EXFOR, TENDL-2013, JENDL/PD-2004 and ENDF/B VII.1 data base were used to get theoretical results.

  19. Photonuclear reactions in astrophysical p-process: Theoretical calculations and experiment simulation based on ELI-NP

    NASA Astrophysics Data System (ADS)

    Xu, Yi; Luo, Wen; Balabanski, Dimiter; Goriely, Stephane; Matei, Catalin; Tesileanu, Ovidiu

    2017-09-01

    The astrophysical p-process is an important way of nucleosynthesis to produce the stable and proton-rich nuclei beyond Fe which can not be reached by the s- and r-processes. In the present study, the astrophysical reaction rates of (γ,n), (γ,p), and (γ,α) reactions are computed within the modern reaction code TALYS for about 3000 stable and proton-rich nuclei with 12 < Z < 110. The nuclear structure ingredients involved in the calculation are determined from experimental data whenever available and, if not, from global microscopic nuclear models. In particular, both of the Wood-Saxon potential and the double folding potential with density dependent M3Y (DDM3Y) effective interaction are used for the calculations. It is found that the photonuclear reaction rates are very sensitive to the nuclear potential, and the better determination of nuclear potential would be important to reduce the uncertainties of reaction rates. Meanwhile, the Extreme Light Infrastructure-Nuclear Physics (ELI-NP) facility is being developed, which will provide the great opportunity to experimentally study the photonuclear reactions in p-process. Simulations of the experimental setup for the measurements of the photonuclear reactions 96Ru(γ,p) and 96Ru(γ,α) are performed. It is shown that the experiments of photonuclear reactions in p-process based on ELI-NP are quite promising.

  20. High energy electrons, positrons and photonuclear reactions in petawatt laser-solid experiments

    SciTech Connect

    Cowan, T E; Hunt, A W; Johnson, J; Perry, M D; Fountain, W; Hatchett, S; Key, M H; Kuehl, T; Parnell, T; Pennington, D M; Phillips, T W; Roth, M; Takahashi, Y; Wilks, S C

    1999-09-09

    The Petawatt laser at LLNL has opened a new regime of high-energy laser-matter interactions in which the quiver motion of plasma electrons is fully relativistic with energies extending well above the threshold for nuclear processes. We have observed that, in addition to the large flux of several MeV electrons ponderomotively expelled from the ultra-intense laser focus, there is a high energy component of electrons extending to -100 MeV, apparently from relativistic self-focusing and plasma acceleration in the underdense pre-formed plasma. The generation of hard bremsstrahlung cascade as these electrons traverse the solid target material, and the resulting photo-nuclear reactions, nuclear fission, and positron-electron pair production are described.

  1. Formation of medical radioisotopes {sup 111}In, {sup 117m}Sn, {sup 124}Sb, and {sup 177}Lu in photonuclear reactions

    SciTech Connect

    Danagulyan, A. S.; Hovhannisyan, G. H. Bakhshiyan, T. M.; Avagyan, R. H.; Avetisyan, A. E.; Kerobyan, I. A.; Dallakyan, R. K.

    2015-06-15

    The possibility of the photonuclear production of radioisotopes {sup 111}In, {sup 117m}Sn, {sup 124}Sb, and {sup 177}Lu is discussed. Reaction yields were measured by the gamma-activation method. The enriched tin isotopes {sup 112,} {sup 118}Sn and Te and HfO{sub 2} of natural isotopic composition were used as targets. The targets were irradiated at the linear electron accelerator of Alikhanian National Science Laboratory (Yerevan) at the energy of 40 MeV. The experimental results obtained in this way reveal that the yield and purity of radioisotopes {sup 111}In and {sup 117}mSn are acceptable for their production via photonuclear reactions. Reactions proceeding on targets from Te and HfO{sub 2} of natural isotopic composition and leading to the formation of {sup 124}Sb and {sup 177}Lu have small yields and are hardly appropriate for the photoproduction of these radioisotopes even in the case of enriched targets.

  2. Photonuclear absorption cross sections

    NASA Technical Reports Server (NTRS)

    Norbury, John W.

    1989-01-01

    Neutron multiplicity in photonuclear reactions; invariance of classical electromagnetism; momentum transfer models in ion collisions; cosmic ray electromagnetic interactions; quadrupole excitations in nucleus-nucleus collisons and Y-89 interactions with relativistic nuclei; and the Weizsacker-Williams theory for nucleon emission via electromagnetic excitations in nucleus-nucleus collisions are discussed.

  3. Development of dose delivery verification by PET imaging of photonuclear reactions following high energy photon therapy.

    PubMed

    Janek, S; Svensson, R; Jonsson, C; Brahme, A

    2006-11-21

    A method for dose delivery monitoring after high energy photon therapy has been investigated based on positron emission tomography (PET). The technique is based on the activation of body tissues by high energy bremsstrahlung beams, preferably with energies well above 20 MeV, resulting primarily in 11C and 15O but also 13N, all positron-emitting radionuclides produced by photoneutron reactions in the nuclei of 12C, 16O and 14N. A PMMA phantom and animal tissue, a frozen hind leg of a pig, were irradiated to 10 Gy and the induced positron activity distributions were measured off-line in a PET camera a couple of minutes after irradiation. The accelerator used was a Racetrack Microtron at the Karolinska University Hospital using 50 MV scanned photon beams. From photonuclear cross-section data integrated over the 50 MV photon fluence spectrum the predicted PET signal was calculated and compared with experimental measurements. Since measured PET images change with time post irradiation, as a result of the different decay times of the radionuclides, the signals from activated 12C, 16O and 14N within the irradiated volume could be separated from each other. Most information is obtained from the carbon and oxygen radionuclides which are the most abundant elements in soft tissue. The predicted and measured overall positron activities are almost equal (-3%) while the predicted activity originating from nitrogen is overestimated by almost a factor of two, possibly due to experimental noise. Based on the results obtained in this first feasibility study the great value of a combined radiotherapy-PET-CT unit is indicated in order to fully exploit the high activity signal from oxygen immediately after treatment and to avoid patient repositioning. With an RT-PET-CT unit a high signal could be collected even at a dose level of 2 Gy and the acquisition time for the PET could be reduced considerably. Real patient dose delivery verification by means of PET imaging seems to be

  4. Isomeric ratios in photonuclear reactions of molybdenum isotopes induced by bremsstrahlung in the giant dipole resonance region

    NASA Astrophysics Data System (ADS)

    Thiep, Tran Duc; An, Truong Thi; Cuong, Phan Viet; Vinh, Nguyen The; Hue, Bui Minh; Belov, A. G.; Maslov, O. D.; Mishinsky, G. V.; Zhemenik, V. I.

    2017-01-01

    We have determined the isomeric ratios of isomeric pairs 97m,gNb, 95m,gNb and 91m,gMo produced in 98Mo(γ, p)97m,gNb, 96Mo(γ, p)95m,gNb and 92Mo(γ, n)91m,gMo photonuclear reactions in the giant dipole resonance (GDR) region by the activation method. The results were analyzed, discussed and compared with the similar data from literature to examine the role of excitation energy, neutron configuration, channel effect and direct and pre-equilibrium processes in (γ, p) photonuclear reactions. In this work the isomeric ratios for 97m,gNb from 14 to 19 MeV, for 195m,gNb from14 to 24 MeV except 20 and 23.5 MeV and for 91m,gMo at 14 and 15 MeV are the first time measurements.

  5. Calculation of absorbed dose and biological effectiveness from photonuclear reactions in a bremsstrahlung beam of end point 50 MeV.

    PubMed

    Gudowska, I; Brahme, A; Andreo, P; Gudowski, W; Kierkegaard, J

    1999-09-01

    The absorbed dose due to photonuclear reactions in soft tissue, lung, breast, adipose tissue and cortical bone has been evaluated for a scanned bremsstrahlung beam of end point 50 MeV from a racetrack accelerator. The Monte Carlo code MCNP4B was used to determine the photon source spectrum from the bremsstrahlung target and to simulate the transport of photons through the treatment head and the patient. Photonuclear particle production in tissue was calculated numerically using the energy distributions of photons derived from the Monte Carlo simulations. The transport of photoneutrons in the patient and the photoneutron absorbed dose to tissue were determined using MCNP4B; the absorbed dose due to charged photonuclear particles was calculated numerically assuming total energy absorption in tissue voxels of 1 cm3. The photonuclear absorbed dose to soft tissue, lung, breast and adipose tissue is about (0.11-0.12)+/-0.05% of the maximum photon dose at a depth of 5.5 cm. The absorbed dose to cortical bone is about 45% larger than that to soft tissue. If the contributions from all photoparticles (n, p, 3He and 4He particles and recoils of the residual nuclei) produced in the soft tissue and the accelerator, and from positron radiation and gammas due to induced radioactivity and excited states of the nuclei, are taken into account the total photonuclear absorbed dose delivered to soft tissue is about 0.15+/-0.08% of the maximum photon dose. It has been estimated that the RBE of the photon beam of 50 MV acceleration potential is approximately 2% higher than that of conventional 60Co radiation.

  6. Production of medical radioisotopes with high specific activity in photonuclear reactions with γ-beams of high intensity and large brilliance

    NASA Astrophysics Data System (ADS)

    Habs, D.; Köster, U.

    2011-05-01

    We study the production of radioisotopes for nuclear medicine in ( γ, xn+ yp) photonuclear reactions or ( γ, γ') photoexcitation reactions with high-flux [(1013-1015) γ/s], small diameter ˜(100 μm)2 and small bandwidth (Δ E/ E≈10-3-10-4) γ beams produced by Compton back-scattering of laser light from relativistic brilliant electron beams. We compare them to (ion, xn+ yp) reactions with (ion = p,d, α) from particle accelerators like cyclotrons and (n, γ) or (n,f) reactions from nuclear reactors. For photonuclear reactions with a narrow γ-beam the energy deposition in the target can be managed by using a stack of thin target foils or wires, hence avoiding direct stopping of the Compton and pair electrons (positrons). However, for ions with a strong atomic stopping only a fraction of less than 10-2 leads to nuclear reactions resulting in a target heating, which is at least 105 times larger per produced radioactive ion and often limits the achievable activity. In photonuclear reactions the well defined initial excitation energy of the compound nucleus leads to a small number of reaction channels and enables new combinations of target isotope and final radioisotope. The narrow bandwidth γ excitation may make use of the fine structure of the Pygmy Dipole Resonance (PDR) or fluctuations in γ-width leading to increased cross sections. Within a rather short period compared to the isotopic half-life, a target area of the order of (100 μm)2 can be highly transmuted, resulting in a very high specific activity. ( γ, γ') isomer production via specially selected γ cascades allows to produce high specific activity in multiple excitations, where no back-pumping of the isomer to the ground state occurs. We discuss in detail many specific radioisotopes for diagnostics and therapy applications. Photonuclear reactions with γ-beams allow to produce certain radioisotopes, e.g. 47Sc, 44Ti, 67Cu, 103Pd, 117 m Sn, 169Er, 195 m Pt or 225Ac, with higher specific activity

  7. M1 Strength in Photonuclear Reactions with Linearly Polarized γ-ray Beam

    NASA Astrophysics Data System (ADS)

    Hayakawa, Takehito; Shizuma, Toshiyuki; Horikawa, Ken; Miyamoto, Shuji; Amano, Sho; Yamaguchi, Masashi; Takemoto, Akinori; Chiba, Satoshi; Akimune, Hidetoshi; Ogata, Kazuyuki; Fujiwara, Mamoru

    The neutrino-nucleus interactions are important for understanding nucleosyntheses by neutrino-induced reactions as well as supernova explosion mechanisms. The M1 strength in atomic nuclei is important for estimation of neutrino-nucleus interactions. We studied neutron angular distribution from (γ, n) reactions with linear polarized laser Compton scattering (LCS) γ-rays to develop a method to measure the M1 strength and verified a theoretical prediction by Agodi [Il Nuovo Cimento 5 [1], 21 (1957)] as the first step.

  8. Photonuclear reaction studies at HIγS: Developing the science of remote detection of nuclear materials

    SciTech Connect

    Howell, C. R.

    2014-11-02

    Development of gamma-ray beam interrogation technologies for remote detection of special nuclear materials and isotope analysis requires comprehensive databases of nuclear structure information and gamma-ray induced nuclear reaction observables. Relevant nuclear structure details include the energy, spin and parity of excited states that have significant probability for electromagnetic transition from the ground state, i.e, the angular momentum transferred in the reaction is Δl ≤ 2. This talk will report recent Nuclear Resonance Fluorescence (NRF) measurements to identify and characterize new low-spin states in actinide nuclei at energies from 1 to 4 MeV, which is the energy range most important for remote analysis methods. Here, these measurements are carried out using the nearly mono-energetic linearly polarized gamma-ray beam at the High Intensity Gamma-ray Source (HIγS) at the Triangle Universities Nuclear Laboratory. Also, studies of the (γ, n) reaction on a variety of nuclei with linearly polarized beams at HIγS indicate that this reaction might be used to discern between fissile and non-fissile materials. This work will be described. In addition, an overview will be given of a concept for a next generation laser Compton-backing scattering gamma-ray source to be implemented as an upgrade to increase the beam intensity at HIγS by more than an order of magnitude.

  9. Vision of nuclear physics with photo-nuclear reactions by laser-driven γ beams

    NASA Astrophysics Data System (ADS)

    Habs, D.; Tajima, T.; Schreiber, J.; Barty, C. P. J.; Fujiwara, M.; Thirolf, P. G.

    2009-11-01

    A laser-accelerated dense electron sheet with an energy E=tilde{γ} mc^2 can be used as a relativistic mirror to coherently reflect a second laser with photon energy ħω, thus generating by the Doppler boost [A. Einstein, Annalen der Physik 17, 891 (1905); D. Habs et al., Appl. Phys. B 93, 349 (2008)] brilliant high-energy photon beams with hbarω^'=4tilde{γ}^2hbarω and short duration for many new nuclear physics experiments. While the shortest-lived atomic levels are in the atto-second range, nuclear levels can have lifetimes down to zeptoseconds. We discuss how the modulation of electron energies in phase-locked laser fields used for as-measurements [E. Goulielmakis et al., Science 317, 769 (2007)] can be carried over to the new direct measurement of fs-zs nuclear lifetimes by modulating the energies of accompanying conversion electrons or emitted protons. In the field of nuclear spectroscopy we discuss the new perspective as a function of increasing photon energy. In nuclear systems a much higher sensitivity is predicted to the time variation of fundamental constants compared to atomic systems [V. Flambaum, arXiv:nucl-th/0801.1994v1 (2008)]. For energies up to 50 keV Mössbauer-like recoilless absorption allows to produce nuclear bosonic ensembles with many delocalized coherent polaritons [G.V. Smirnov et al., Phys. Rev. A 71, 023804 (2005)] for the first time. Using the ( γ, n) reaction to produce cold, polarized neutrons with a focusing ellipsoidal device [P. Böni, Nucl. Instrum. Meth. A 586, 1 (2008); Ch. Schanzer et al., Nucl. Instrum. Meth. 529, 63 (2004)], brilliant cold polarized micro-neutron beams become available. The compact and relatively cheap laser-generated γ beams may serve for extended studies at university-based facilities.

  10. Photonuclear reaction based high-energy x-ray spectrometer to cover from 2 MeV to 20 MeVa)

    NASA Astrophysics Data System (ADS)

    Sakata, S.; Arikawa, Y.; Kojima, S.; Ikenouchi, T.; Nagai, T.; Abe, Y.; Inoue, H.; Morace, A.; Utsugi, M.; Kato, R.; Nishimura, H.; Nakai, M.; Shiraga, H.; Fujioka, S.; Azechi, H.

    2014-11-01

    A photonuclear-reaction-based hard x-ray spectrometer is developed to measure the number and energy spectrum of fast electrons generated by interactions between plasma and intense laser light. In this spectrometer, x-rays are converted to neutrons through photonuclear reactions, and the neutrons are counted with a bubble detector that is insensitive to x-rays. The spectrometer consists of a bundle of hard x-ray detectors that respond to different photon-energy ranges. Proof-of-principle experiment was performed on a linear accelerator facility. A quasi-monoenergetic electron bunch (Ne = 1.0 × 10-6 C, Ee = 16 ± 0.32 MeV) was injected into a 5-mm-thick lead plate. Bremsstrahlung x-rays, which emanate from the lead plate, were measured with the spectrometer. The measured spectral shape and intensity agree fairly well with those computed with a Monte Carlo simulation code. The result shows that high-energy x-rays can be measured absolutely with a photon-counting accuracy of 50%-70% in the energy range from 2 MeV to 20 MeV with a spectral resolution (Δhν/hν) of about 15%. Quantum efficiency of this spectrometer was designed to be 10-7, 10-4, 10-5, respectively, for 2-10, 11-15, and 15-25 MeV of photon energy ranges.

  11. Photonuclear reaction based high-energy x-ray spectrometer to cover from 2 MeV to 20 MeV

    SciTech Connect

    Sakata, S. Arikawa, Y.; Kojima, S.; Ikenouchi, T.; Nagai, T.; Abe, Y.; Inoue, H.; Morace, A.; Utsugi, M.; Nishimura, H.; Nakai, M.; Shiraga, H.; Fujioka, S.; Azechi, H.; Kato, R.

    2014-11-15

    A photonuclear-reaction-based hard x-ray spectrometer is developed to measure the number and energy spectrum of fast electrons generated by interactions between plasma and intense laser light. In this spectrometer, x-rays are converted to neutrons through photonuclear reactions, and the neutrons are counted with a bubble detector that is insensitive to x-rays. The spectrometer consists of a bundle of hard x-ray detectors that respond to different photon-energy ranges. Proof-of-principle experiment was performed on a linear accelerator facility. A quasi-monoenergetic electron bunch (N{sub e} = 1.0 × 10{sup −6} C, E{sub e} = 16 ± 0.32 MeV) was injected into a 5-mm-thick lead plate. Bremsstrahlung x-rays, which emanate from the lead plate, were measured with the spectrometer. The measured spectral shape and intensity agree fairly well with those computed with a Monte Carlo simulation code. The result shows that high-energy x-rays can be measured absolutely with a photon-counting accuracy of 50%–70% in the energy range from 2 MeV to 20 MeV with a spectral resolution (Δhν/hν) of about 15%. Quantum efficiency of this spectrometer was designed to be 10{sup −7}, 10{sup −4}, 10{sup −5}, respectively, for 2–10, 11–15, and 15–25 MeV of photon energy ranges.

  12. Stellar 30-keV neutron capture in 94, 96Zr and the 90Zr (γ , n)89Zr photonuclear reaction with a high-power liquid-lithium target

    NASA Astrophysics Data System (ADS)

    Tessler, M.; Paul, M.; Arenshtam, A.; Feinberg, G.; Friedman, M.; Halfon, S.; Kijel, D.; Weissman, L.; Aviv, O.; Berkovits, D.; Eisen, Y.; Eliyahu, I.; Haquin, G.; Kreisel, A.; Mardor, I.; Shimel, G.; Shor, A.; Silverman, I.; Yungrais, Z.

    2015-12-01

    A high-power Liquid-Lithium Target (LiLiT) was used for the first time for neutron production via the thick-target 7Li (p , n)7Be reaction and quantitative determination of neutron capture cross sections. Bombarded with a 1-2 mA proton beam at 1.92 MeV from the Soreq Applied Research Accelerator Facility (SARAF), the setup yields a 30-keV quasi-Maxwellian neutron spectrum with an intensity of 3- 5 ×1010 n /s, more than one order of magnitude larger than present near-threshold 7Li (p , n) neutron sources. The setup was used here to determine the 30-keV Maxwellian averaged cross section (MACS) of 94Zr and 96Zr as 28.0 ± 0.6 mb and 12.4 ± 0.5 mb respectively, based on activation measurements. The precision of the cross section determinations results both from the high neutron yield and from detailed simulations of the entire experimental setup. We plan to extend our experimental studies to low-abundance and radioactive targets. In addition, we show here that the setup yields intense high-energy (17.6 and 14.6 MeV) prompt capture γ rays from the 7Li (p , γ)8Be reaction with yields of ∼ 3 ×108 γs-1mA-1 and ∼ 4 ×108 γs-1mA-1, respectively, evidenced by the 90Zr (γ , n)89Zr photonuclear reaction.

  13. Fission Reaction Event Yield Algorithm

    SciTech Connect

    Hagmann, Christian; Verbeke, Jerome; Vogt, Ramona; Roundrup, Jorgen

    2016-05-31

    FREYA (Fission Reaction Event Yield Algorithm) is a code that simulated the decay of a fissionable nucleus at specified excitation energy. In its present form, FREYA models spontaneous fission and neutron-induced fission up to 20 MeV. It includes the possibility of neutron emission from the nuclear prior to its fussion (nth chance fission).

  14. Target optimization for the photonuclear production of radioisotopes.

    PubMed

    Howard, Sean; Starovoitova, Valeriia N

    2015-02-01

    In this paper we discuss the optimum shape of a target for photonuclear production of radioisotopes using an electron linear accelerator. Different target geometries such as right cylinder, conical frustum, Gaussian volume of revolution and semi-ellipsoid have been considered for the production of (67)Cu via (68)Zn(γ,p)(67)Cu photonuclear reaction. The specific activity (SA) of (67)Cu was simulated for each target shape. Optimum ratio of radius to height for cylindrical targets was found to be between 0.2 and 0.25 for target masses ranging from 20 g to 100 g. It was shown that while some unconventional target shapes, such as semi-elliptical volume of revolution, result in slightly higher specific activities than cylindrical targets, the advantage is not significant and is outweighed by the complexity of the target production and handling. Power deposition into the target was modeled and the trade-off between the maximization of (67)Cu yield and the minimization of target heating has been discussed. The (67)Cu case can easily be extended for production of many other isotopes.

  15. The role of angular-momentum removal in photonuclear reactions as deduced from the isomeric ratios for ? and ?

    NASA Astrophysics Data System (ADS)

    Kolev, D.; Ernst, J.

    1998-03-01

    A model interpretation of isomeric ratios for 0954-3899/24/3/010/img7 and 0954-3899/24/3/010/img8 produced in the reactions 0954-3899/24/3/010/img9, 0954-3899/24/3/010/img10, 0954-3899/24/3/010/img11, 0954-3899/24/3/010/img12, 0954-3899/24/3/010/img13 and 0954-3899/24/3/010/img14 is presented. The experimental isomeric ratios were obtained using bremsstrahlung radiation with end-point energies of 18 and 43 MeV. The calculations were performed by means of the well known code STAPRE and the new code COMPLET. Angular-momentum removal in pre-equilibrium emission was found to be much more important for the observed isomeric ratios than subsequent compound-nucleus evaporation.

  16. The Saskatchewan-Alberta large acceptance detector for photonuclear physics

    NASA Astrophysics Data System (ADS)

    Cairns, E. B.; Cameron, J.; Choi, W. C.; Fielding, H. W.; Green, P. W.; Greeniaus, L. G.; Hackett, E. D.; Holm, L.; Kolb, N. R.; Korkmaz, E.; Langill, P. P.; McDonald, W. J.; Mack, D.; Olsen, W. C.; Peterson, B. A.; Rodning, N. L.; Soukup, J.; Zhu, J.; Hutcheon, D.; Caplan, H. S.; Pywell, R. E.; Skopik, D. M.; Vogt, J. M.; van Heerden, I. J.

    1992-09-01

    The Saskatchewan-Alberta Large Acceptance Detector (SALAD) is a 4 π detector designed and built for studies of photonuclear reactions with a tagged photon beam. The design and performance of the detector are described. Its characteristics have been studied by examining p-p elastic scattering with a proton beam at TRIUMF.

  17. Photonuclear activation of pure isotopic mediums.

    SciTech Connect

    Grohman, Mark A.; Lukosi, Eric Daniel

    2010-06-01

    This work simulated the response of idealized isotopic U-235, U-238, Th-232, and Pu-239 mediums to photonuclear activation with various photon energies. These simulations were conducted using MCNPX version 2.6.0. It was found that photon energies between 14-16 MeV produce the highest response with respect to neutron production rates from all photonuclear reactions. In all cases, Pu-239 responds the highest, followed by U-238. Th-232 produces more overall neutrons at lower photon energies then U-235 when material thickness is above 3.943 centimeters. The time it takes each isotopic material to reach stable neutron production rates in time is directly proportional to the material thickness and stopping power of the medium, where thicker mediums take longer to reach stable neutron production rates and thinner media display a neutron production plateau effect, due to the lack of significant attenuation of the activating photons in the isotopic mediums. At this time, no neutron sensor system has time resolutions capable of verifying these simulations, but various indirect methods are possible and should be explored for verification of these results.

  18. Implementation of the n-body Monte-Carlo event generator into the Geant4 toolkit for photonuclear studies

    NASA Astrophysics Data System (ADS)

    Luo, Wen; Lan, Hao-yang; Xu, Yi; Balabanski, Dimiter L.

    2017-03-01

    A data-based Monte Carlo simulation algorithm, Geant4-GENBOD, was developed by coupling the n-body Monte-Carlo event generator to the Geant4 toolkit, aiming at accurate simulations of specific photonuclear reactions for diverse photonuclear physics studies. Good comparisons of Geant4-GENBOD calculations with reported measurements of photo-neutron production cross-sections and yields, and with reported energy spectra of the 6Li(n,α)t reaction were performed. Good agreements between the calculations and experimental data were found and the validation of the developed program was verified consequently. Furthermore, simulations for the 92Mo(γ,p) reaction of astrophysics relevance and photo-neutron production of 99Mo/99mTc and 225Ra/225Ac radioisotopes were investigated, which demonstrate the applicability of this program. We conclude that the Geant4-GENBOD is a reliable tool for study of the emerging experiment programs at high-intensity γ-beam laboratories, such as the Extreme Light Infrastructure - Nuclear Physics facility and the High Intensity Gamma-Ray Source at Duke University.

  19. Perspectives for photonuclear research at the Extreme Light Infrastructure - Nuclear Physics (ELI-NP) facility

    NASA Astrophysics Data System (ADS)

    Filipescu, D.; Anzalone, A.; Balabanski, D. L.; Belyshev, S. S.; Camera, F.; La Cognata, M.; Constantin, P.; Csige, L.; Cuong, P. V.; Cwiok, M.; Derya, V.; Dominik, W.; Gai, M.; Gales, S.; Gheorghe, I.; Ishkhanov, B. S.; Krasznahorkay, A.; Kuznetsov, A. A.; Mazzocchi, C.; Orlin, V. N.; Pietralla, N.; Sin, M.; Spitaleri, C.; Stopani, K. A.; Tesileanu, O.; Ur, C. A.; Ursu, I.; Utsunomiya, H.; Varlamov, V. V.; Weller, H. R.; Zamfir, N. V.; Zilges, A.

    2015-12-01

    The perspectives for photonuclear experiments at the new Extreme Light Infrastructure - Nuclear Physics (ELI-NP) facility are discussed in view of the need to accumulate novel and more precise nuclear data. The parameters of the ELI-NP gamma beam system are presented. The emerging experimental program, which will be realized at ELI-NP, is presented. Examples of day-one experiments with the nuclear resonance fluorescence technique, photonuclear reaction measurements, photofission experiments and studies of nuclear collective excitation modes and competition between various decay channels are discussed. The advantages which ELI-NP provides for all these experiments compared to the existing facilities are discussed.

  20. Photonuclear and radiative-capture reaction rates for nuclear astrophysics and transmutation: 92-100Mo, 88Sr, 90Zr, and 139La

    NASA Astrophysics Data System (ADS)

    Beard, M.; Frauendorf, S.; Kämpfer, B.; Schwengner, R.; Wiescher, M.

    2012-06-01

    Experimental photoabsorption cross sections for the nuclei 92,94,96,98,100Mo, 88Sr, 90Zr, and 139La are used as an input for calculations of (γ,n), (γ,p), and (γ,α), as well as (n,γ), (p,γ), and (α,γ) cross sections and reaction rates at energies and temperatures relevant for nucleosynthesis network models and transmutation projects. The calculations are performed with the statistical-model code talys. The results are compared with those obtained by using different analytic standard parametrizations of γ-ray strength functions implemented in talys and with an energy-damped double-Lorentzian model. The radiative capture reaction cross sections are enhanced by the pygmy resonances in 88Sr, 90Zr, and 139La.

  1. Monte Carlo characterizations mapping of the (γ,n) and (n,γ) photonuclear reactions in the high energy X-ray radiation therapy

    PubMed Central

    Ghiasi, Hosein

    2013-01-01

    Aim The aim of this work was to map the characteristics of (n,γ) and (γ,n) reactions in a high energy photon radiation therapy. Background Photoneutrons produced in the high energy X-Ray radiation therapy may damage patients and staff. It is due to high RBE of the produced neutrons according to their energy and isotropic emission. Characterization of the photoneutrons can help us in appropriate shielding. Materials and methods This study focused on the photoneutron and capture gamma ray phenomena. Characteristics such as dose value, fluence and spectra of both the neutrons and the by produced prompt gamma ray were described. Results and discussion Neutron and prompt gamma spectra in different points showed the neutrons to be thermalized when increasing the distance from the linac. Energy of the neutrons changed from about 0.6 MeV at the isocentre to around 10−08 MeV at the outer door position. Although the neutrons were found as fast neutrons, their spectra showed they were thermal neutrons at the outer door position. Additionally, it was seen that the energy of the gamma rays is higher than the scattered X-ray energy. The energy of gamma rays was seen to be up to 10 MeV while the linac photons had energy lower than 1 MeV. Neutron source strength obtained in this work was in good agreement with the published data, which may be a confirmation of our simulation accuracy. Conclusion The study showed that the Monte Carlo simulation can be applied in the radiotherapy and industrial radiation works as a useful and precise estimator. We also concluded that the dose from the prompt gamma ray at the outer door location is higher than the scattered radiation from the linac and should be considered in the shielding. PMID:24936317

  2. Photonuclear Production of Medical Isotopes

    NASA Astrophysics Data System (ADS)

    Weinandt, Nick

    2011-10-01

    Every year, more than 20 million people in the United States receive a nuclear medicine procedure. Many of the isotopes needed for these procedures are under-produced. Suppliers of the isotopes are usually located outside the United States, which presents a problem when the desired isotopes have short half-lives. Linear accelerators were investigated as a possible method of meeting isotope demand. Linear accelerators are cheaper, safer, and have lower decommissioning costs compared to nuclear reactors. By using (γ,p) reactions, the desired isotope can be separated from the target material due to the different chemical nature of each isotope. Isotopes investigated were Cu-67, In-111, and Lu-111. Using the results the photon flux Monte Carlo simulations, the expected activity of isotopes can be calculated. After samples were irradiated, a high purity germanium detector and signal processing apparatus were used to count the samples. The activity at the time of irradiation stop was then calculated. The uses of medical isotopes will also be presented. Thanks to Idaho State University, the Idaho Accelerator Center, and the National Science Foundation for supporting the research.

  3. Advanced scheme for high-yield laser driven nuclear reactions

    NASA Astrophysics Data System (ADS)

    Margarone, D.; Picciotto, A.; Velyhan, A.; Krasa, J.; Kucharik, M.; Mangione, A.; Szydlowsky, A.; Malinowska, A.; Bertuccio, G.; Shi, Y.; Crivellari, M.; Ullschmied, J.; Bellutti, P.; Korn, G.

    2015-01-01

    The use of a low contrast nanosecond laser pulse with a relatively low intensity (3  ×  1016 W cm-2) allowed the enhancing of the yield of induced nuclear reactions in advanced solid targets. In particular the ‘ultraclean’ proton-boron fusion reaction, producing energetic alpha particles without neutron generation, was chosen. A spatially well-defined layer of boron dopants in a hydrogen-enriched silicon substrate was used as a target. A combination of the specific target composition and the laser pulse temporal shape allowed the enhancing of the yield of alpha particles up to 109 per steradian. This result can be ascribed to the interaction of the long-laser pre-pulse with the target and to the optimal target geometry and composition.

  4. Model description of photonuclear 13C(γ, p)12B activation detection of carbon

    NASA Astrophysics Data System (ADS)

    Dzhilavyan, L. Z.; Pokotilovski, Yu. N.

    2017-09-01

    A model description of the activation detection of carbon with the use of registering 12B-activity produced in a graphite target by a beam of electrons with an energy of 50 MeV due to the photonuclear reaction 13C(γ, p) is presented. This description is carried out with consideration for the influence of the main background process related to the generation of potoneutrons under radiation and secondary background γ' quanta caused by them. A satisfactory agreement with experimental results is obtained taking into account the incompleteness of data on the conditions of these experiments.

  5. High energy runaway electron transport deduced from photonuclear activation of the PLT limiter

    SciTech Connect

    Barnes, C.W.; Stavely, J.M. Jr.; Strachan, J.D.

    1981-07-01

    In large tokamaks, runaway electrons may be accelerated up to energies over 20 MeV by the toroidal electric field. When these particles leave the plasma, they impact the material limiters and emit bremsstrahlung hard x-rays. This bremsstrahlung may cause photonuclear reactions in the limiter, leaving radioisotopes behind. Both the amount of activation and its spatial distribution on the limiter provide information on the confinement of high energy electrons. The stainless steel poloidal ring limiter from the Princeton Large Torus has been analyzed and six observable photonuclear reactions with energy thresholds have been found for the reactions varying from 8 to 23 MeV. The amount of activation from each reaction determines the average number of runaway electrons above each activation threshold energy. The inferred runaway electron population decreases exponentially with energy as exp (-E/3.2 MeV) implying an energetic runaway electron confinement time of 50 to 80 msec. The poloidal variation of the activation can be described by a 0.02 cm scrape-off layer step size which implies about a 90 msec confinement time.

  6. Photoneutron Reactions in Nucleosynthesis

    NASA Astrophysics Data System (ADS)

    Utsunomiya, Hiroaki

    Photoneutron reactions are discussed in the context of nucleosynthesis with emphasis on a unified understanding of (γ, n) and (n, γ) reactions for heavy nuclei through the γ-ray strength function and a revisit to explosive nucleosynthesis of 9Be through the reciprocity theorem. The role of photonuclear reactions in nucleosynthesis is supplemented by the photonuclear data project (IAEA-CRP F42032) and will be strengthened in the Extreme Light Infrastructure-Nuclear Physics (ELI-NP) in the future.

  7. Fission Reaction Event Yield Algorithm FREYA 2.0.2

    DOE PAGES

    Verbeke, J. M.; Randrup, J.; Vogt, R.

    2017-09-01

    The purpose of this paper is to present the main differences between FREYA versions 1.0 and 2.0.2. FREYA (Fission Reaction Event Yield Algorithm) is a fission event generator which models complete fission events. As such, it automatically includes fluctuations as well as correlations between observables, resulting from conservation of energy and momentum. The main differences between the two versions are: additional fissionable isotopes, angular momentum conservation, Giant Dipole Resonance form factor for the statistical emission of photons, improved treatment of fission photon emission using RIPL database, and dependence on the incident neutron direction. FREYA 2.0.2 has been integrated into themore » LLNL Fission Library 2.0.2, which has itself been integrated into MCNP6.2, TRIPOLI-4.10, and can be called from Geant4.10.« less

  8. High yield neutron generators using the DD reaction

    SciTech Connect

    Vainionpaa, J. H.; Harris, J. L.; Piestrup, M. A.; Gary, C. K.; Williams, D. L.; Apodaca, M. D.; Cremer, J. T.; Ji, Qing; Ludewigt, B. A.; Jones, G.

    2013-04-19

    A product line of high yield neutron generators has been developed at Adelphi technology inc. The generators use the D-D fusion reaction and are driven by an ion beam supplied by a microwave ion source. Yields of up to 5 Multiplication-Sign 10{sup 9} n/s have been achieved, which are comparable to those obtained using the more efficient D-T reaction. The microwave-driven plasma uses the electron cyclotron resonance (ECR) to produce a high plasma density for high current and high atomic ion species. These generators have an actively pumped vacuum system that allows operation at reduced pressure in the target chamber, increasing the overall system reliability. Since no radioactive tritium is used, the generators can be easily serviced, and components can be easily replaced, providing essentially an unlimited lifetime. Fast neutron source size can be adjusted by selecting the aperture and target geometries according to customer specifications. Pulsed and continuous operation has been demonstrated. Minimum pulse lengths of 50 {mu}s have been achieved. Since the generators are easily serviceable, they offer a long lifetime neutron generator for laboratories and commercial systems requiring continuous operation. Several of the generators have been enclosed in radiation shielding/moderator structures designed for customer specifications. These generators have been proven to be useful for prompt gamma neutron activation analysis (PGNAA), neutron activation analysis (NAA) and fast neutron radiography. Thus these generators make excellent fast, epithermal and thermal neutron sources for laboratories and industrial applications that require neutrons with safe operation, small footprint, low cost and small regulatory burden.

  9. High yield neutron generators using the DD reaction

    NASA Astrophysics Data System (ADS)

    Vainionpaa, J. H.; Harris, J. L.; Piestrup, M. A.; Gary, C. K.; Williams, D. L.; Apodaca, M. D.; Cremer, J. T.; Ji, Qing; Ludewigt, B. A.; Jones, G.

    2013-04-01

    A product line of high yield neutron generators has been developed at Adelphi technology inc. The generators use the D-D fusion reaction and are driven by an ion beam supplied by a microwave ion source. Yields of up to 5 × 109 n/s have been achieved, which are comparable to those obtained using the more efficient D-T reaction. The microwave-driven plasma uses the electron cyclotron resonance (ECR) to produce a high plasma density for high current and high atomic ion species. These generators have an actively pumped vacuum system that allows operation at reduced pressure in the target chamber, increasing the overall system reliability. Since no radioactive tritium is used, the generators can be easily serviced, and components can be easily replaced, providing essentially an unlimited lifetime. Fast neutron source size can be adjusted by selecting the aperture and target geometries according to customer specifications. Pulsed and continuous operation has been demonstrated. Minimum pulse lengths of 50 μs have been achieved. Since the generators are easily serviceable, they offer a long lifetime neutron generator for laboratories and commercial systems requiring continuous operation. Several of the generators have been enclosed in radiation shielding/moderator structures designed for customer specifications. These generators have been proven to be useful for prompt gamma neutron activation analysis (PGNAA), neutron activation analysis (NAA) and fast neutron radiography. Thus these generators make excellent fast, epithermal and thermal neutron sources for laboratories and industrial applications that require neutrons with safe operation, small footprint, low cost and small regulatory burden.

  10. Aerosol formation yields from the reaction of catechol with ozone

    NASA Astrophysics Data System (ADS)

    Coeur-Tourneur, Cécile; Tomas, Alexandre; Guilloteau, Angélique; Henry, Françoise; Ledoux, Frédéric; Visez, Nicolas; Riffault, Véronique; Wenger, John C.; Bedjanian, Yuri

    The formation of secondary organic aerosol from the gas-phase reaction of catechol (1,2-dihydroxybenzene) with ozone has been studied in two smog chambers. Aerosol production was monitored using a scanning mobility particle sizer and loss of the precursor was determined by gas chromatography and infrared spectroscopy, whilst ozone concentrations were measured using a UV photometric analyzer. The overall organic aerosol yield ( Y) was determined as the ratio of the suspended aerosol mass corrected for wall losses ( Mo) to the total reacted catechol concentrations, assuming a particle density of 1.4 g cm -3. Analysis of the data clearly shows that Y is a strong function of Mo and that secondary organic aerosol formation can be expressed by a one-product gas-particle partitioning absorption model. The aerosol formation is affected by the initial catechol concentration, which leads to aerosol yields ranging from 17% to 86%. The results of this work are compared to similar studies reported in the literature.

  11. MARLEY: Model of Argon Reaction Low Energy Yields

    NASA Astrophysics Data System (ADS)

    Gardiner, Steven; Bilton, Kyle; Grant, Christopher; Pantic, Emilija; Svoboda, Robert

    2015-10-01

    Core-collapse supernovae are sources of tremendous numbers of neutrinos with energies of up to about 50 MeV. In recent years, there has been growing interest in building detectors that are sensitive to supernova neutrinos. Such detectors can provide information about the initial stages of stellar collapse, early warning signals for light emission from supernovae, and opportunities to study neutrino oscillation physics over astronomical distances. In an effort to enable supernova neutrino detection in next-generation experiments like DUNE, the CAPTAIN collaboration plans to make the first direct measurement of cross sections for neutrino interactions on argon in the supernova energy regime. To help predict neutrino event signatures in the CAPTAIN liquid argon time projection chamber (LArTPC), we have developed a first-of-its-kind Monte Carlo event generator called MARLEY (Model of Argon Reaction Low Energy Yields). This generator attempts to model the complicated nuclear structure dependence of low-energy neutrino-nucleus reactions in sufficient detail for use in LArTPC simulations. In this talk we present some preliminary results calculated using MARLEY and discuss how the current version of the generator may be improved and expanded.

  12. [Evaluating photonuclear activation for clearance of decommissioned medical linear accelerators].

    PubMed

    Shida, Koichi; Isobe, Tomonori; Takada, Kenta; Kobayashi, Daisuke; Tadano, Kiichi; Takahashi, Hideki; Seki, Masashi; Yokota, Hiroshi; Sakurai, Hideyuki; Sakae, Takeji

    2011-01-01

    In a linear accelerator (linac) that operates at greater than an accelerating energy of 10 MV, neutrons are generated by a photonuclear reaction and the head section of the linac becomes radioactive. The purpose of this research is to obtain data for ensuring the safety of linac decommissioning and upgrading. The decommissioned linac investigated in this study was a Clinac 2100 C/D (Varian) installed in April 1999. Its total time of use was 2757.7 h (equivalent to 496,386 Gy). The dosage for its last three months of use was 7213.67 Gy. After being allowed to sit for a 7-day cooling period, the apparatus was disassembled and the parts of the gantry head portion were removed. The ambient dose equivalent rates, H*(10), (microSv/h) from the removed parts were measured in air, at a location with low background, by using a gamma ray scintillation survey meter. The target was also analyzed with an HP-Ge semiconductor detector, in order to identify the nuclides responsible for the observed radiation. On day 7 after the last use of the linac, the ambient dose equivalent rates, H*(10), (microSv/h) in air at the surface of all parts, except the target and the beryllium window, were within the limit of normal background radiation. The measured value (microSv/h) for the beryllium window decreased to within the background limit on day 10. The measured value (microSv/h) of the target decreased to about 1.5 times the background on day 19. At a distance of 10 cm, all the parts were within the background limit after the initial 7-day cooling period. In the analysis of the target with the HP-Ge semiconductor detector, peaks at 125, 333, 352, 356, 426, 511, 583, 609, 689, 811, 835, 911, 969, 1091, 1099, 1120, 1173, 1238, 1292, 1333, 1461 and 1764keV were detected on day 23. Seven months after the linac was last used, peaks were detected at 352, 511, 583, 609, 835, 911, 969, 1120, 1173, 1238, 1333, 1461 and 1764 keV. From these results, the natural radioactive nuclides can be assigned

  13. Ozone-surface reactions in five homes: surface reaction probabilities, aldehyde yields, and trends.

    PubMed

    Wang, H; Morrison, G

    2010-06-01

    Field experiments were conducted in five homes during three seasons (summer 2005, summer 2006 and winter 2007) to quantify ozone-initiated secondary aldehyde yields, surface reaction probabilities, and trends any temporal over a 1.5-year interval. Surfaces examined include living room carpets, bedroom carpets, kitchen floors, kitchen counters, and living room walls. Reaction probabilities for all surfaces for all seasons ranged from 9.4 x 10(-8) to 1.0 x 10(-4). There were no significant temporal trends in reaction probabilities for any surfaces from summer 2005 to summer 2006, nor over the entire 1.5-year period, indicating that it may take significantly longer than this period for surfaces to exhibit any 'ozone aging' or lowering of ozone-surface reactivity. However, all surfaces in three houses exhibited a significant decrease in reaction probabilities from summer 2006 to winter 2007. The total yield of aldehydes for the summer of 2005 were nearly identical to that for summer of 2006, but were significantly higher than for winter 2007. We also observed that older carpets were consistently less reactive than in newer carpets, but that countertops remained consistently reactive, probably because of occupant activities such as cooking and cleaning. Ozone reactions taking place at indoor surfaces significantly influence personal exposure to ozone and volatile reaction products. These field studies show that indoor surfaces only slowly lose their ability to react with ozone over several year time frames, and that this is probably because of a combination of large reservoirs of reactive coatings and periodic additions of reactive coatings in the form of cooking, cleaning, and skin-oil residues. When considering exposure to ozone and its reaction products and in the absence of dramatic changes in occupancy, activities or furnishings, indoor surface reactivity is expected to change very slowly.

  14. Infrared chemiluminescence study of the reaction Cl + HI yielding HCl + I at enhanced collision energies.

    NASA Technical Reports Server (NTRS)

    Cowley, L. T.; Horne, D. S.; Polanyi, J. C.

    1971-01-01

    Performed chemiluminescence and beam experiments show a markedly increased efficiency of conversion of the reaction energy into vibration and a markedly enhanced tendency for forward scattering in the reaction Cl + HI yields HCl + I as compared with H + Cl2 yields HCl + Cl. These differences appear to be due predominantly to the difference in the masses involved.

  15. Status of the Prototype Pulsed Photonuclear Assessment (PPA) Inspection System

    SciTech Connect

    Prototype Photonuclear Inspection Technoloby - An

    2007-08-01

    Prototype Photonuclear Inspection Technology – An Integrated Systems Approach* James L. Jonesa, Daren R. Normana, Kevin J. Haskella, James W. Sterbentza, Woo Y. Yoona, Scott M. Watsona, James T. Johnsona, John M. Zabriskiea, Calvin E. Mossb, Frank Harmonc a – Idaho National Laboratory, P.O. Box 1625-2802, Idaho Falls, Idaho 83415-2802 b – Los Alamos National Laboratory, P.O. Box 1663, MS B228, Los Alamos, New Mexico, 87585 c – Idaho State University, 1500 Alvin Ricken Dr., Pocatello, Idaho 83201 Active interrogation technologies are being pursued in order to address many of today’s challenging inspection requirements related to both nuclear and non-nuclear material detection. The Idaho National Laboratory, along with the Los Alamos National Laboratory and the Idaho State University’s Idaho Accelerator Center, continue to develop electron accelerator-based, photonuclear inspection technologies for the detection of shielded nuclear material within air-, rail-, and especially, maritime-cargo containers. This paper presents an overview and status of the prototype Pulsed Photonuclear Assessment (PPA) inspection system and its ability to detect shielded nuclear material by focusing on the integration of three major detection system components: delayed neutron measurement, delayed gamma-ray measurements, and a transmission, gray-scale mapping for shield material detection. Areas of future development and advancement within each detection component will be presented. *Supported in part by the Department of Homeland Security under DOE-ID Contract Number DE-AC07-99ID13727. POC: James L. Jones, 208-526-1730

  16. Electro- and photonuclear physics with polarized beams and targets

    SciTech Connect

    Holt, R.J.

    1987-01-01

    Two long-standing issues in photonuclear physics, the giant M1 resonance in Pb and deuteron photodisintegration, have been studied recently with polarized photons at Urbana and Frascati, respectively. The implications that this work has for settling these key issues will be discussed. In addition, the advantages of the internal polarized target method for electron scattering studies will be discussed and the technology of internal polarized target development will be reviewed. The first results from a spin-exchange, optically-pumped polarized H and D source will be presented.

  17. Pulsed Photonuclear Assessment (PPA) Technique: CY-05 Project Summary Report

    SciTech Connect

    J.L. Jones; B.D. Bennett; K.J. Haskell; J.T. Johnson; D.R. Norman; J.W. Sterbentz; R.W. Watson; S.M. Watson; W.Y. Yoon; J.M. Zabriskie; C.E. Moss; K.L. Folkman; C.C. O'Neil; A.W. Hunt; R.J. Spaulding

    2005-12-01

    Idaho National Laboratory, along with Idaho State University’s Idaho Accelerator Center and Los Alamos National Laboratory, is developing an electron accelerator-based, photonuclear inspection technology, called the Pulsed Photonuclear Assessment (PPA) system, for the detection of nuclear material concealed within air-, rail-, and, primarily, maritime-cargo transportation containers. This report summarizes the advances and progress of the system’s development in 2005. The contents of this report include an overview of the prototype inspection system, selected Receiver-Operator-Characteristic curves for system detection performance characterization, a description of the approach used to integrate the three major detection components of the PPA inspection system, highlights of the gray-scale density mapping technique being used for significant shield material detection, and higher electron beam energy detection results to support an evaluation for an optimal interrogating beam energy. This project is supported by the Department of Homeland Security Office of Research and Development and, more recently, the Domestic Nuclear Detection Office.

  18. Development and Implementation of Photonuclear Cross-Section Data for Mutually Coupled Neutron-Photon Transport Calculations in the Monte Carlo N-Particle (MCNP) Radiation Transport Code

    SciTech Connect

    White, Morgan C.

    2000-07-01

    The fundamental motivation for the research presented in this dissertation was the need to development a more accurate prediction method for characterization of mixed radiation fields around medical electron accelerators (MEAs). Specifically, a model is developed for simulation of neutron and other particle production from photonuclear reactions and incorporated in the Monte Carlo N-Particle (MCNP) radiation transport code. This extension of the capability within the MCNP code provides for the more accurate assessment of the mixed radiation fields. The Nuclear Theory and Applications group of the Los Alamos National Laboratory has recently provided first-of-a-kind evaluated photonuclear data for a select group of isotopes. These data provide the reaction probabilities as functions of incident photon energy with angular and energy distribution information for all reaction products. The availability of these data is the cornerstone of the new methodology for state-of-the-art mutually coupled photon-neutron transport simulations. The dissertation includes details of the model development and implementation necessary to use the new photonuclear data within MCNP simulations. A new data format has been developed to include tabular photonuclear data. Data are processed from the Evaluated Nuclear Data Format (ENDF) to the new class ''u'' A Compact ENDF (ACE) format using a standalone processing code. MCNP modifications have been completed to enable Monte Carlo sampling of photonuclear reactions. Note that both neutron and gamma production are included in the present model. The new capability has been subjected to extensive verification and validation (V&V) testing. Verification testing has established the expected basic functionality. Two validation projects were undertaken. First, comparisons were made to benchmark data from literature. These calculations demonstrate the accuracy of the new data and transport routines to better than 25 percent. Second, the ability to

  19. Quantification of the validity of simulations based on Geant4 and FLUKA for photo-nuclear interactions in the high energy range

    NASA Astrophysics Data System (ADS)

    Quintieri, Lina; Pia, Maria Grazia; Augelli, Mauro; Saracco, Paolo; Capogni, Marco; Guarnieri, Guido

    2017-09-01

    Photo-nuclear interactions are relevant in many research fields of both fundamental and applied physics and, for this reason, accurate Monte Carlo simulations of photo-nuclear interactions can provide a valuable and indispensable support in a wide range of applications (i.e from the optimisation of photo-neutron source target to the dosimetric estimation in high energy accelerator, etc). Unfortunately, few experimental photo-nuclear data are available above 100 MeV, so that, in the high energy range (from hundreds of MeV up to GeV scale), the code predictions are based on physical models. The aim of this work is to compare the predictions of relevant observables involving photon-nuclear interaction modelling, obtained with GEANT4 and FLUKA, to experimental data (if available), in order to assess the code estimation reliability, over a wide energy range. In particular, the comparison of the estimated photo-neutron yields and energy spectra with the experimental results of the n@BTF experiment (carried out at the Beam Test Facility of DaΦne collider, in Frascati, Italy) is here reported and discussed. Moreover, the preliminary results of the comparison of the cross sections used in the codes with the"evaluated' data recommended by the IAEA are also presented for some selected cases (W, Pb, Zn).

  20. Excitation function measurements and integral yields estimation for natZnp,x reactions at low energies.

    PubMed

    Al-Saleh, F S; Al Mugren, K S; Azzam, A

    2007-10-01

    Excitation functions have been measured for a number of proton-induced nuclear reactions on natural zinc in the energy range from 27.5 MeV down to their threshold energy, using the activation method on stacked foils. Excitation functions and thick target yield for the reactions leading to the formation of (67)Ga,(66)Ga,(68)Ga,(62)Zn and (65)Zn are presented and compared with earlier reported experimental data. The experimental cross-sections and the production yields are tabulated; the excitation functions and the thick target yield curves are plotted in graphs.

  1. Photonuclear sum rules and the tetrahedral configuration of He4

    NASA Astrophysics Data System (ADS)

    Gazit, Doron; Barnea, Nir; Bacca, Sonia; Leidemann, Winfried; Orlandini, Giuseppina

    2006-12-01

    Three well-known photonuclear sum rules (SR), i.e., the Thomas-Reiche-Kuhn, the bremsstrahlungs and the polarizability SR are calculated for He4 with the realistic nucleon-nucleon potential Argonne V18 and the three-nucleon force Urbana IX. The relation between these sum rules and the corresponding energy weighted integrals of the cross section is discussed. Two additional equivalences for the bremsstrahlungs SR are given, which connect it to the proton-neutron and neutron-neutron distances. Using them, together with our result for the bremsstrahlungs SR, we find a deviation from the tetrahedral symmetry of the spatial configuration of He4. The possibility to access this deviation experimentally is discussed.

  2. Linac-Based Photonuclear Applications at the Idaho Accelerator Center

    NASA Astrophysics Data System (ADS)

    Mamtimin, Mayir; Starovoitova, Valeriia N.; Harmon, Frank

    2014-02-01

    In this paper, current Idaho Accelerator Center (IAC) activities based on the exploitation of high energy bremsstrahlung photons generated by linear electron accelerators will be reviewed. These beams are used to induce photonuclear interactions for a wide variety of applications in materials science, activation analysis, medical research, and nuclear technology. Most of the exploited phenomena are governed by the familiar giant dipole resonance cross section in nuclei. By proper target and converter design, optimization of photon and photoneutron production can be achieved, allowing radiation fields produced with both photons and neutrons to be used for medical isotope production and for fission product transmutation. The latter provides a specific application example that supports long-term fission product waste management. Using high-energy, highpower electron accelerators, we can demonstrate transmutation of radio-toxic, long-lived fission products (LLFP) such as 99Tc and 129I into short lived species. The latest experimental and simulation results will be presented.

  3. Average cross section measurement for 162Er (γ, n) reaction compared with theoretical calculations using TALYS

    NASA Astrophysics Data System (ADS)

    Vagena, E.; Stoulos, S.

    2017-01-01

    Bremsstrahlung photon beam delivered by a linear electron accelerator has been used to experimentally determine the near threshold photonuclear cross section data of nuclides. For the first time, (γ, n) cross section data was obtained for the astrophysical important nucleus 162Er. Moreover, theoretical calculations have been applied using the TALYS 1.6 code. The effect of the gamma ray strength function on the cross section calculations has been studied. A satisfactorily reproduction of the available experimental data of photonuclear cross section at the energy region below 20 MeV could be achieved. The photon flux was monitored by measuring the photons yield from seven well known (γ, n) reactions from the threshold energy of each reaction up to the end-point energy of the photon beam used. An integrated cross-section 87 ± 14 mb is calculated for the photonuclear reaction 162Er (γ, n) at the energy 9.2-14 MeV. The effective cross section estimated using the TALYS code range between 89 and 96 mb depending on the γ-strength function used. To validate the method for the estimation of the average cross-section data of 162Er (γ, n) reaction, the same procedure has been performed to calculate the average cross-section data of 197Au (γ, n) and 55Mn (γ, n) reactions. In this case, the photons yield from the rest well known (γ, n) reactions was used in order to monitoring the photon flux. The results for 162Er (γ, n), 197Au (γ, n) and 55Mn (γ, n) are found to be in good agreement with the theoretical values obtained by TALYS 1.6. So, the present indirect process could be a valuable tool to estimate the effective cross section of (γ, n) reaction for various isotopes using bremsstrahlung beams.

  4. OH yields in the gas-phase reactions of ozone with alkenes

    SciTech Connect

    Rickard, A.R.; Johnson, D.; McGill, C.D.; Marston, G.

    1999-09-23

    Hydroxyl radical yields are reported for the gas-phase ozonolyses of a range of alkenes. 1,3,5-Trimethylbenzene was employed as an OH tracer, and the diminution in its concentration was used to calculate OH yields by both a simple analytical kinetic expression and a numerically integrated model. The following OH yields were obtained, relative to alkene consumed: ethene (0.14), propene (0.32), 2-methylpropene (0.60), 2,3-dimethyl-2-butene (0.89), isoprene (0.44), {beta}-pinene (0.24), and {alpha}-pinene (0.83). A structure activity relationship (SAR) is presented for the estimation of OH yields based on structural moieties and reaction branching ratios. Reaction stoichiometries ({Delta}[alkene]/{Delta}[ozone]) are also reported, along with primary carbonyl yields measured in the presence and absence of excess SO{sub 2}, both under OH-free conditions. Reaction stoichiometries are shown to be correlated with alkene OH yields, and the mechanistic implications of this observation are discussed. The fractional increase in primary carbonyl yield in the presence of excess SO{sub 2} is shown to be inversely related to the OH yield and is interpreted as a measure of the fraction of the vibrationally excited Criegee intermediate that is stabilized in air at a pressure of 1 atm.

  5. Search for supernarrow dibaryons via the pd{yields}ppX and pd{yields}pdX reactions

    SciTech Connect

    Kuboki, H.; Hatano, M.; Saito, T.; Sakai, H.; Sasano, M.; Yako, K.; Tamii, A.; Fujita, K.; Hatanaka, K.; Sakemi, Y.; Shimizu, Y.; Tameshige, Y.; Kamiya, J.; Kudoh, T.; Sagara, K.; Shimomoto, S.; Shiota, M.; Wakasa, T.; Maeda, Y.; Uesaka, T.

    2006-09-15

    Supernarrow dibaryons (SNDs) have been searched for by the pd{yields}ppX and pd{yields}pdX reactions at E{sub p}=295 MeV over a mass range of 1898 to 1953 MeV, where three candidates of SNDs were found at the Moscow Meson Factory. The experiment was carried out at the Research Center for Nuclear Physics using a two-arm magnetic spectrometer system and a liquid deuterium target. A good mass resolution of 1 MeV and a low background condition were achieved. No resonance structure was observed in the missing mass spectra. Upper limits of the SND production cross section were determined.

  6. Understanding the domino reaction between 3-chloroindoles and methyl coumalate yielding carbazoles. A DFT study.

    PubMed

    Domingo, Luis R; Sáez, José A; Emamian, Saeed R

    2015-02-21

    The molecular mechanism of the reaction between N-methyl-3-chloroindole and methyl coumalate yielding carbazole has been studied using DFT methods at the MPWB1K/6-311G(d,p) level in toluene. This reaction is a domino process that comprises three consecutive reactions: (i) a polar Diels-Alder (P-DA) reaction between indole and methyl coumalate yielding two stereoisomeric [2 + 4] cycloadducts (CAs); (ii) the elimination of HCl from these CAs affording two stereoisomeric intermediates; and (iii) the extrusion of CO2 in these intermediates, finally yielding the carbazole. This P-DA reaction proceeds in a completely regioselective and slightly exo selective fashion. In spite of the highly polar character of this P-DA reaction, it presents a high activation enthalpy of 21.8 kcal mol(-1) due to the loss of the aromatic character of the indole during the C-C bond formation. Thermodynamic calculations suggest that the P-DA reaction is the rate-determining step of this domino reaction; in addition, the initial HCl elimination in the formal [2 + 4] CAs is kinetically favoured over the extrusion of CO2. Although the P-DA reaction is kinetically and thermodynamically very unfavourable, the easier HCl and CO2 elimination from the [2 + 4] CAs together with the strong exergonic character of the CO2 extrusion makes the P-DA reaction irreversible. An ELF topological analysis of the bonding changes along the P-DA reaction supports a two-stage one-step mechanism. An analysis of the global DFT reactivity indices at the ground state of the reagents confirms the highly polar character of this P-DA reaction. Finally, the complete regioselectivity of the studied reactions can be explained using the Parr functions.

  7. Isomeric yield ratios and excitation functions in α-induced reactions on 107,109Ag

    NASA Astrophysics Data System (ADS)

    Guin, R.; Saha, S. K.; Prakash, Satya; Uhl, M.

    1992-07-01

    Isomeric yield ratios for the reactions 107Ag(α,3n)108In, 107Ag(α,α3n)104Ag, 109Ag(α,2n)111In, and 109Ag(α,3n)110In are determined in the energy range of 20-63 MeV α particles. Excitation functions for the above reactions as well as for the 107Ag(α,2n)109In, 107Ag(α,α2n)105Ag, 109Ag(α,4n)109In, 109Ag(α,5n)108In, and 109Ag(α,α4n)105Ag reactions are also presented. Experimental excitation functions are compared with statistical model calculations taking into account precompound particle emission. Isomeric yield ratios are found to depend strongly on the root mean square orbital angular momentum in the entrance channel. A semiempirical method for the prediction of isomeric yield ratios failed to reproduce experimental data even for compoundlike reactions. Isomeric yield ratios were also calculated in the frame of a statistical model under consideration of angular momentum effects in the preequilibrium and the equilibrium stage. Overall agreement between the theory and the experiment for isomeric yield ratios was found to be satisfactory especially at low bombarding energy when compound nucleus reaction channel is dominant. The discrepancy observed at higher bombarding energies needs to be theoretically investigated in greater detail.

  8. Limonene ozonolysis in the presence of nitric oxide: Gas-phase reaction products and yields

    NASA Astrophysics Data System (ADS)

    Ham, Jason E.; Harrison, Joel C.; Jackson, Stephen R.; Wells, J. R.

    2016-05-01

    The reaction products from limonene ozonolysis were investigated using the new carbonyl derivatization agent, O-tert-butylhydroxylamine hydrochloride (TBOX). With ozone (O3) as the limiting reagent, five carbonyl compounds were detected. The yields of the carbonyl compounds are discussed with and without the presence of a hydroxyl radical (OHrad) scavenger, giving insight into the influence secondary OH radicals have on limonene ozonolysis products. The observed reaction product yields for limonaketone (LimaKet), 7-hydroxyl-6-oxo-3-(prop-1-en-2-yl)heptanal (7H6O), and 2-acetyl-5-oxohexanal (2A5O) were unchanged suggesting OHrad generated by the limonene + O3 reaction does not contribute to their formation. The molar yields of 3-isopropenyl-6-oxo-heptanal (IPOH) and 3-acetyl-6-oxoheptanal (3A6O) decreased by 68% and >95%; respectively, when OHrad was removed. This suggests that OHrad radicals significantly impact the formation of these products. Nitric oxide (NO) did not significantly affect the molar yields of limonaketone or IPOH. However, NO (20 ppb) considerably decreased the molar reaction product yields of 7H6O (62%), 2A5O (63%), and 3A6O (47%), suggesting NO reacted with peroxyl intermediates, generated during limonene ozonolysis, to form other carbonyls (not detected) or organic nitrates. These studies give insight into the transformation of limonene and its reaction products that can lead to indoor exposures.

  9. Limonene ozonolysis in the presence of nitric oxide: Gas-phase reaction products and yields

    PubMed Central

    Ham, Jason E.; Harrison, Joel C.; Jackson, Stephen R.; Wells, J.R.

    2016-01-01

    The reaction products from limonene ozonolysis were investigated using the new carbonyl derivatization agent, O-tert-butylhydroxylamine hydrochloride (TBOX). With ozone (O3) as the limiting reagent, five carbonyl compounds were detected. The yields of the carbonyl compounds are discussed with and without the presence of a hydroxyl radical (OH•) scavenger, giving insight into the influence secondary OH radicals have on limonene ozonolysis products. The observed reaction product yields for limonaketone (LimaKet), 7-hydroxyl-6-oxo-3-(prop-1-en-2-yl)heptanal (7H6O), and 2-acetyl-5-oxohexanal (2A5O) were unchanged suggesting OH• generated by the limonene + O3 reaction does not contribute to their formation. The molar yields of 3-isopropenyl-6-oxo-heptanal (IPOH) and 3-acetyl-6-oxoheptanal (3A6O) decreased by 68% and >95%; respectively, when OH• was removed. This suggests that OH• radicals significantly impact the formation of these products. Nitric oxide (NO) did not significantly affect the molar yields of limonaketone or IPOH. However, NO (20 ppb) considerably decreased the molar reaction product yields of 7H6O (62%), 2A5O (63%), and 3A6O (47%), suggesting NO reacted with peroxyl intermediates, generated during limonene ozonolysis, to form other carbonyls (not detected) or organic nitrates. These studies give insight into the transformation of limonene and its reaction products that can lead to indoor exposures. PMID:27346977

  10. Evaluation of nanoparticle-immobilized cellulase for improved ethanol yield in simultaneous saccharification and fermentation reactions

    SciTech Connect

    Lupoi, Jason; Smith, Emily

    2011-12-01

    Ethanol yields were 2.1 (P = 0.06) to 2.3 (P = 0.01) times higher in simultaneous saccharification and fermentation (SSF) reactions of microcrystalline cellulose when cellulase was physisorbed on silica nanoparticles compared to enzyme in solution. In SSF reactions, cellulose is hydrolyzed to glucose by cellulase while yeast simultaneously ferments glucose to ethanol. The 35 C temperature and the presence of ethanol in SSF reactions are not optimal conditions for cellulase. Immobilization onto solid supports can stabilize the enzyme and promote activity at non-optimum reaction conditions. Mock SSF reactions that did not contain yeast were used to measure saccharification products and identify the mechanism for the improved ethanol yield using immobilized cellulase. Cellulase adsorbed to 40 nm silica nanoparticles produced 1.6 times (P = 0.01) more glucose than cellulase in solution in 96 h at pH 4.8 and 35 C. There was no significant accumulation (<250 {mu}g) of soluble cellooligomers in either the solution or immobilized enzyme reactions. This suggests that the mechanism for the immobilized enzyme's improved glucose yield compared to solution enzyme is the increased conversion of insoluble cellulose hydrolysis products to soluble cellooligomers at 35 C and in the presence of ethanol. The results show that silica-immobilized cellulase can be used to produce increased ethanol yields in the conversion of lignocellulosic materials by SSF.

  11. Threshold and spin factors in the yield of bremsstrahlung-induced reactions

    SciTech Connect

    Karamian, S. A.

    2013-12-15

    Relative yields of photon-induced reactions are systematized in a function of the threshold parameter for moderately heavy targets at the bremsstrahlung end-point energy lower than 30 MeV. Regular dependence is established for the group of (γ, n), (γ, p), and (γ, d) reactions, while the yields of (γ, 2n) and (γ,α) reactions deviate from the regularity. Physical conclusions are discussed and possible application of this systematic for data processing is proposed. In particular, the constituent threshold and spin factors in the isomer-to-ground-state ratio could be isolated separately. For spin dependence of the yields, a new regularization parameter is introduced and previously hidden peculiarities are concluded.

  12. Unconventional application of the Mitsunobu reaction: Selective flavonolignan dehydration yielding hydnocarpins

    PubMed Central

    Huang, Guozheng; Schramm, Simon; Heilmann, Jörg; Biedermann, David; Křen, Vladimír

    2016-01-01

    Summary Various Mitsunobu conditions were investigated for a series of flavonolignans (silybin A, silybin B, isosilybin A, and silychristin A) to achieve either selective esterification in position C-23 or dehydration in a one-pot reaction yielding the biologically important enantiomers of hydnocarpin D, hydnocarpin and isohydnocarpin, respectively. This represents the only one-pot semi-synthetic method to access these flavonolignans in high yields. PMID:27340458

  13. Isomeric yield ratios of 87m,gY from different nuclear reactions

    NASA Astrophysics Data System (ADS)

    Naik, H.; Kim, G. N.; Kim, K.; Zaman, M.; Sahid, M.; Yang, S.-C.; Lee, M. W.; Kang, Y. R.; Shin, S. G.; Cho, M.-H.; Goswami, A.; Song, T. Y.

    2014-07-01

    The independent isomeric yield ratios of 87m,gY produced from the 93Nb( γ, α2n) and natZr( γ, p xn) reactions with the end-point bremsstrahlung energy of 45-70 MeV have been determined by an off-line γ-ray spectrometric technique using 100 MeV electron linac at the Pohang accelerator laboratory, Korea. The isomeric yield ratios of 87m,gY were also determined from the natZr(p, αxn) and the 89Y(p,p2n) reactions with E P = 15-45 MeV as well as those from the 89Y( α, α2n) reaction with E α = 32-43 MeV using the MC-50 cyclotron at the Korea Institute of Radiological and Medical Science, Korea. The isomeric yield ratios of 87m,gY from the present work in the 93Nb( γ, α2n), natZr( γ, p xn), natZr(p, αxn), 89Y(p,p2n), and 89Y( α, α2n) reactions were compared with those of the literature data in the 85Rb( α, 2n), the 86,87,88Sr(d, xn), 89Y(n,3n), and the 89Y( γ, 2n) reactions to examine the role of target, projectiles, and ejectiles through compound nucleus excitation energy and input angular momentum. The isomeric yield ratios of 87m,gY in the above eleven reactions were also calculated using the computer code TALYS 1.4 and compared with the experimental data. The different behaviors between photon- and neutron-induced reactions and charged-particle-induced reactions are discussed from the viewpoint of compound and non-compound (pre-equilibrium) process.

  14. Depth oscillations of electronuclear reaction yield initiated by relativistic planar channeled electrons: quantum versus classical calculations

    NASA Astrophysics Data System (ADS)

    Eikhorn, Yu. L.; Korotchenko, K. B.; Pivovarov, Yu. L.; Tukhfatullin, T. A.

    2017-07-01

    The first experiment on electronuclear reaction initated by axially channeled 700 MeV electrons in a Si crystal [1] revealed remarkable depth oscillations of reaction yield. The effect was satisfactory explained [2] by computer simulations using binary collisions model. In this work the oscillations effect is investigated for planar channeled electrons in a Si crystal using the new computer code BCM-1.0 which allows both classical and quantum calculations of channeled electrons flux density.

  15. HIGH-YIELD REACTIONS TO INTRODUCE ALDEHYDE GROUPS INTO PYRIDINE DERIVATIVES.

    DTIC Science & Technology

    pyridinemethanols to their oximes via the 2-sulfonate esters was demonstrated. The oxidation of 2-pyridine methanols to the corresponding aldehydes with...the 2-chloromethyl analog with thionyl chloride and (3) reaction with hydroxylamine; the overall yield was 56%. The conversion of 4 -picoline N-oxide...to 4 -pyridine aldoxime via anil formation, acid hydrolysis, and oxime formation was successful. (Author)

  16. Comparative Analysis of the 178m2Hf Yield in Reactions with Different Projectiles

    NASA Astrophysics Data System (ADS)

    Karamian, S. A.

    2005-09-01

    The long-lived high-spin 178m2Hf K-isomer can be produced in nuclear reactions with different projectiles. The reaction yields and cross-sections have been measured in the series of experiments and the results are now overviewed. The systematics of isomer-to-ground state ratios are drawn and real production capabilities are estimated for the best reactions. Such a summary is relevant to the significance of the isomer studies both for the nuclear-science knowledge and for possible applications. Potential isomer applications have been earlier stressed in popular publications with probably overestimated expectations. The real possibilities are restricted in part by the production yield, and by other shortcomings, as well.

  17. On the reaction CH2O + NH3 Yields CH2NH + H2O

    NASA Technical Reports Server (NTRS)

    Walch, Stephen P.; Bauschlicher, Charles W., Jr.; Ricca, Alessandra; Bakes, E. L. O.; Arnold, James (Technical Monitor)

    2000-01-01

    We study the energetics of CH2O + NH3-Yields CH2NH + H2O in the gas phase at the B3LYP and CCSD(T)levels. This reaction is shown to have a sizeable barrier. Ionization of NH3 reduces the barrier to about 5 kcal/mol. We also show that in water, a proton catalyzed mechanism yields no barriers in excess of the reaction endothermicity. Since this reaction has been proposed as one of the steps in interstellar synthesis of glycine, the simplest amino acid, this work suggests that the formation of amino acids is occurring in and/or on interstellar water ice grains, and not in the gas phase.

  18. Yields of O2(b 1 Sigma g +) from reactions of HO2. [in planetary atmospheres

    NASA Technical Reports Server (NTRS)

    Keyser, L. F.; Choo, K. Y.; Leu, M. T.

    1985-01-01

    The production of O2(b 1 Sigma g +) has been monitored for several reactions of the HO2 radical at 300 K using a discharge-flow apparatus with resonance fluorescence and chemiluminescence detection. In all cases, the resulting quantum efficiencies were found to be less than 0.03. O2(b) was observed when F atoms were added to H2O2 in the gas phase. The signal strengths of O2(b) were proportional to initial concentrations of HO2 formed by the F + H2O2 reaction. Observed /O2(b)/, /HO2/, and /OH/ vs /F/0 were analyzed using a simple three-step mechanism and a more complete computer simulation with 22 reaction steps. The results indicate that the F + HO2 reaction yields O2(b) with an efficiency of (3.6 + or - 1.4) x 10 to the -3rd. Yields from the O + OH2 reaction were less than 0.02, indicating that this reaction cannot be a major source of the O2(b) emission observed in the earth's nightglow.

  19. Both the Fast and Slow Refolding Reactions of Ribonuclease A Yield Native Enzyme

    PubMed Central

    Garel, Jean-Renaud; Baldwin, Robert L.

    1973-01-01

    The fast reaction (T̄2 ≃ 50 msec) observed previously in the refolding of thermally unfolded ribonuclease A (disulfide bonds intact) has now been studied by two properties indicative of enzyme function: binding of a competitive inhibitor (2′CMP) and hydrolysis of a substrate (CpA → C > p + A). Both the binding and catalytic reactions are fast (<2 msec) compared to refolding. Binding of 2′CMP occurs during both fast and slow refolding reactions, and the protein folded in the fast reaction has a normal binding constant for 2′CMP. Recovery of enzymatic activity during the fast refolding reaction, as measured by the rate of CpA hydrolysis, parallels the kinetic curve for 2′CMP binding. When the kinetics of refolding are measured by the burying of exposed tyrosine groups, no difference is found. The presence of 2′CMP has no effect on the kinetics of refolding. The results show that the fast refolding reaction does not yield an intermediate in the refolding of RNase A. Instead, both fast and slow refolding reactions have a common product, fully active RNase A. Although they show a 100-fold difference in rates of refolding, the starting materials for the fast and slow refolding reactions have similar properties, as regards: (a) the molar absorbancy at 286 nm, reflecting the state of exposed tyrosine groups, and (b) their apparent failure to bind 2′CMP. Images PMID:4519627

  20. Ozone deposition velocities, reaction probabilities and product yields for green building materials

    NASA Astrophysics Data System (ADS)

    Lamble, S. P.; Corsi, R. L.; Morrison, G. C.

    2011-12-01

    Indoor surfaces can passively remove ozone that enters buildings, reducing occupant exposure without an energy penalty. However, reactions between ozone and building surfaces can generate and release aerosols and irritating and carcinogenic gases. To identify desirable indoor surfaces the deposition velocity, reaction probability and carbonyl product yields of building materials considered green (listed, recycled, sustainable, etc.) were quantified. Nineteen separate floor, wall or ceiling materials were tested in a 10 L, flow-through laboratory reaction chamber. Inlet ozone concentrations were maintained between 150 and 200 ppb (generally much lower in chamber air), relative humidity at 50%, temperature at 25 °C and exposure occurred over 24 h. Deposition velocities ranged from 0.25 m h -1 for a linoleum style flooring up to 8.2 m h -1 for a clay based paint; reaction probabilities ranged from 8.8 × 10 -7 to 6.9 × 10 -5 respectively. For all materials, product yields of C 1 thru C 12 saturated n-aldehydes, plus acetone ranged from undetectable to greater than 0.70 The most promising material was a clay wall plaster which exhibited a high deposition velocity (5.0 m h -1) and a low product yield (

  1. The reaction between CH3O2 and OH radicals: Product yields and atmospheric implications

    DOE PAGES

    Assaf, Emmanuel; Sheps, Leonid; Whalley, Lisa; ...

    2017-01-25

    The reaction between CH3O2 and OH radicals has been shown to be fast and to play an appreciable role for the removal of CH3O2 radials in remote environments such as the marine boundary layer. Two different experimental techniques have been used here to determine the products of this reaction. The HO2 yield has been obtained from simultaneous time-resolved measurements of the absolute concentration of CH3O2, OH, and HO2 radicals by cw-CRDS. The possible formation of a Criegee intermediate has been measured by broadband cavity enhanced UV absorption. A yield of ΦHO2 = (0.8 ± 0.2) and an upper limit formore » ΦCriegee = 0.05 has been determined for this reaction, suggesting a minor yield of methanol or stabilized trioxide as a product. The impact of this reaction on the composition of the remote marine boundary layer has been determined by implementing these findings into a box model utilizing the Master Chemical Mechanism v3.2, and constraining the model for conditions found at the Cape Verde Atmospheric Observatory in the remote tropical Atlantic Ocean. Inclusion of the CH3O2+OH reaction into the model results in up to 30% decrease in the CH3O2 radical concentration while the HO2 concentration increased by up to 20%. Finally, production and destruction of O3 are also influenced by these changes, and the model indicates that taking into account the reaction between CH3O2 and OH leads to a 6% decrease of O3.« less

  2. The Reaction between CH3O2 and OH Radicals: Product Yields and Atmospheric Implications.

    PubMed

    Assaf, Emmanuel; Sheps, Leonid; Whalley, Lisa; Heard, Dwayne; Tomas, Alexandre; Schoemaecker, Coralie; Fittschen, Christa

    2017-02-21

    The reaction between CH3O2 and OH radicals has been shown to be fast and to play an appreciable role for the removal of CH3O2 radials in remote environments such as the marine boundary layer. Two different experimental techniques have been used here to determine the products of this reaction. The HO2 yield has been obtained from simultaneous time-resolved measurements of the absolute concentration of CH3O2, OH, and HO2 radicals by cw-CRDS. The possible formation of a Criegee intermediate has been measured by broadband cavity enhanced UV absorption. A yield of ϕHO2 = (0.8 ± 0.2) and an upper limit for ϕCriegee = 0.05 has been determined for this reaction, suggesting a minor yield of methanol or stabilized trioxide as a product. The impact of this reaction on the composition of the remote marine boundary layer has been determined by implementing these findings into a box model utilizing the Master Chemical Mechanism v3.2, and constraining the model for conditions found at the Cape Verde Atmospheric Observatory in the remote tropical Atlantic Ocean. Inclusion of the CH3O2+OH reaction into the model results in up to 30% decrease in the CH3O2 radical concentration while the HO2 concentration increased by up to 20%. Production and destruction of O3 are also influenced by these changes, and the model indicates that taking into account the reaction between CH3O2 and OH leads to a 6% decrease of O3.

  3. Simulation for thick-target yields of transmutation reactions on radioactive targets, based on inverse kinematics

    NASA Astrophysics Data System (ADS)

    Ebata, Shuichiro; Aikawa, Masayuki; Imai, Shotaro

    2016-06-01

    To dispose of long-lived fission products (LLFP) ejected from nuclear reactor plants is one of the most important tasks on nuclear physics and engineering. The experiments with the radiative target are limited, due to the high radioactivity and chemical property of the target. In consequence, the nuclear reaction data for LLFP are insufficient. In this work, we propose a feasible method to obtain the data for radiative targets using inverse kinematics and simulate specific systems to evaluate the thick-target yields of the nuclear transmutation reactions for LLFP.

  4. A chemometric approach for determining the reaction quantum yields in consecutive photochemical processes.

    PubMed

    Marcolongo, Juan P; Schmidt, Juan; Levin, Natalia; Slep, Leonardo D

    2017-08-16

    A chemometric procedure to deal with spectroscopically monitored processes involving photochemical steps is fully described. The methodology makes it possible to work with reactions that involve several components with unknown (and eventually overlapping) spectra and provides a tool for the simultaneous determination of both the quantum yields of the reaction and the spectra of all the species present in a multi-step photochemical process. As a benchmark, we apply these ideas to extract the quantum yields of photodetachment of coordinated ligands employing data recorded over the course of the decomposition of [Ru(tpm)(bpy)(CH3CN)](2+) and cis-[Ru(bpy)2(CH3CN)2](2+) under stationary photolysis conditions. The approach is fast and robust and it is easily implemented in scientific programming languages.

  5. Advanced scheme for high-yield laser driven proton-boron fusion reaction

    NASA Astrophysics Data System (ADS)

    Margarone, D.; Picciotto, A.; Velyhan, A.; Krasa, J.; Kucharik, M.; Morrissey, M.; Mangione, A.; Szydlowsky, A.; Malinowska, A.; Bertuccio, G.; Shi, Y.; Crivellari, M.; Ullschmied, J.; Bellutti, P.; Korn, G.

    2015-02-01

    A low contrast nanosecond laser pulse with relatively low intensity (3 × 1016 W cm-2) was used to enhance the yield of induced nuclear reactions in advanced solid targets. In particular the "ultraclean" proton-boron fusion reaction, producing energetic alpha-particles without neutron generation, was chosen. A spatially well-defined layer of boron dopants in a hydrogen-enriched silicon substrate was used as target. The combination of the specific target geometry and the laser pulse temporal shape allowed enhancing the yield of alpha-particles up to 109 per steradian, i.e 100 times higher than previous experimental achievements. Moreover the alpha particle stream presented a clearly peaked angular and energy distribution, which make this secondary source attractive for potential applications. This result can be ascribed to the interaction of the long laser pre-pulse with the target and to the optimal target geometry and composition.

  6. Kinetics of the reaction OH + HNO3 yields H2O + NO3

    NASA Technical Reports Server (NTRS)

    Margitan, J. J.; Kaufman, F.; Anderson, J. G.

    1975-01-01

    The reaction OH + HN3 yields H2O + NO3 was studied over the temperature range 270-470 K in a flow system utilizing UV resonance fluorescence detection of OH. A temperature independent rate constant of (8.9 plus or minus 1.3) x 10 to the -14 cu cm/s was obtained, where the reported uncertainty represents a single standard deviation including estimates of systematic errors.

  7. Effect of reaction pressure on octane number and reformate and hydrogen yields in catalytic reforming

    SciTech Connect

    Moljord, K.; Hellenes, H.G.; Hoff, A.; Tanem, I.; Grande, K.; Holmen, A.

    1996-01-01

    The effect of reaction pressure in catalytic reforming was studied in a pilot reactor with a commercial Pt-Re/Al{sub 2}O{sub 3} reforming catalyst and a hydrotreated naphtha from a North Sea crude. Reformate and hydrogen yields, research octane numbers (RON), and reformate composition at reactor pressures in the range of 12--25 bar were measured as a function of temperature in the range of 95--105 RON. Reformate and hydrogen yields increased as the pressure range. For the lower reaction pressures the hydrogen yields increased with increasing severity, but for the higher pressures the hydrogen yields started to decline above certain severities. RON was linearly dependent on the concentration of aromatics in the reformate, although the selectivity toward aromatics depends on both pressure and temperature. Less hydro dealkylation of C{sub 8} and heavier aromatics to benzene and toluene resulted in a shift toward xylenes and heavier aromatic components when pressure was lowered. Variations in the degree of paraffin isomerization did not influence RON significantly at those severities.

  8. Measured bremsstrahlung photonuclear production of 99Mo ((99m)Tc) with 34 MeV to 1.7 GeV electrons.

    PubMed

    Roberts, A D; Geddes, C G R; Matlis, N; Nakamura, K; O'Neil, J P; Shaw, B H; Steinke, S; van Tilborg, J; Leemans, W P

    2015-02-01

    (99)Mo photonuclear yield was measured using high-energy electrons from Laser Plasma Accelerators and natural molybdenum. Spectroscopically resolved electron beams allow comparisons to Monte Carlo calculations using known (100)Mo(γ,n)(99)Mo cross sections. Yields are consistent with published low-energy data, and higher energy data are well predicted from the calculations. The measured yield is (15±2)×10(-5) atoms/electron (0.92±0.11 GBq/μA) for 25 mm targets at 33.7 MeV, rising to (1391±20)×10(-5) atoms/electron (87±2 GBq/μA) for 54 mm/ 1.7 GeV, with peak power-normalized yield at 150 MeV. Copyright © 2014 Elsevier Ltd. All rights reserved.

  9. Mathematical optimization approach for estimating the quantum yield distribution of a photochromic reaction in a polymer

    NASA Astrophysics Data System (ADS)

    Tanaka, Mirai; Yamashita, Takashi; Sano, Natsuki; Ishigaki, Aya; Suzuki, Tomomichi

    2017-01-01

    The convolution of a series of events is often observed for a variety of phenomena such as the oscillation of a string. A photochemical reaction of a molecule is characterized by a time constant, but materials in the real world contain several molecules with different time constants. Therefore, the kinetics of photochemical reactions of the materials are usually observed with a complexity comparable with those of theoretical kinetic equations. Analysis of the components of the kinetics is quite important for the development of advanced materials. However, with a limited number of exceptions, deconvolution of the observed kinetics has not yet been mathematically solved. In this study, we propose a mathematical optimization approach for estimating the quantum yield distribution of a photochromic reaction in a polymer. In the proposed approach, time-series data of absorbances are acquired and an estimate of the quantum yield distribution is obtained. To estimate the distribution, we solve a mathematical optimization problem to minimize the difference between the input data and a model. This optimization problem involves a differential equation constrained on a functional space as the variable lies in the space of probability distribution functions and the constraints arise from reaction rate equations. This problem can be reformulated as a convex quadratic optimization problem and can be efficiently solved by discretization. Numerical results are also reported here, and they verify the effectiveness of our approach.

  10. The Pressure Dependency of Stabilized Criegee Intermediate Yields of Selected Ozone-Alkene Reactions

    NASA Astrophysics Data System (ADS)

    Hakala, J. P.; Donahue, N. M.

    2014-12-01

    Stabilized Criegee Intermediates (SCI) play an important role as an oxidizing species in atmospheric reactions. The ozonolysis of alkenes in the atmosphere, i.e. the mechanism by which the SCIs are produced, is a major pathway to the formation of Secondary Organic Aerosols (SOA) in the atmosphere. Just how much SCIs contribute to the SOA formation is not well known and fundamental research in the kinetics of SCI formation need to be performed to shed light on this mystery. The alkene ozonolysis is highly exothermic reaction, so a third body is needed for stabilizing the SCI, thus making the SCI yield pressure dependent. We studied the production of SCIs at different pressures by studying their ability to oxidize sulfur dioxide in a pressure controlled flow reactor. We used a mixture of ultra-high purity nitrogen, oxygen, and a selective scavenger for hydroxyl radical (OH) as a carrier gas, and injected a mixture of nitrogen, sulfur dioxide and selected alkene to the center of the flow for ozonolysis to take place. With the OH radical scavenged, the SCI yield of the reaction was measured by measuring the amount of sulfuric acid formed in the reaction between SCI and sulfur dioxide with a Chemical Ionization Mass Spectrometer (CIMS). This work was supported by NASA/ROSES grant NNX12AE54G to CMU and Academy of Finland Center of Excellence project 1118615.

  11. Proposal for studying N* resonances with the pp{yields}pn{pi}{sup +} reaction

    SciTech Connect

    Wu Jiajun; Zou, B. S.; Ouyang Zhen

    2009-10-15

    A theoretical study of the pp{yields}pn{pi}{sup +} reaction for antiproton beam energy from 1 to 4 GeV is made by including contributions from various known N* and {delta}* resonances. It is found that for the beam energy around 1.5 GeV, the contribution of the Roper resonance N{sub (1440)}* produced by the t-channel {sigma} exchange dominates over all other contributions. Since such a reaction can be studied in the forthcoming PANDA experiment at the GSI Facility of Antiproton and Ion Research (FAIR), the reaction will be realistically the cleanest place for studying the properties of the Roper resonance and the best place for looking for other ''missing''N* resonances with large coupling to N{sigma}.

  12. Power law behavior of the isotope yield distributions in the multifragmentation regime of heavy ion reactions

    NASA Astrophysics Data System (ADS)

    Huang, M.; Wada, R.; Chen, Z.; Keutgen, T.; Kowalski, S.; Hagel, K.; Barbui, M.; Bonasera, A.; Bottosso, C.; Materna, T.; Natowitz, J. B.; Qin, L.; Rodrigues, M. R. D.; Sahu, P. K.; Schmidt, K. J.; Wang, J.

    2010-11-01

    Isotope yield distributions in the multifragmentation regime were studied with high-quality isotope identification, focusing on the intermediate mass fragments (IMFs) produced in semiviolent collisions. The yields were analyzed within the framework of a modified Fisher model. Using the ratio of the mass-dependent symmetry energy coefficient relative to the temperature, asym/T, extracted in previous work and that of the pairing term, ap/T, extracted from this work, and assuming that both reflect secondary decay processes, the experimentally observed isotope yields were corrected for these effects. For a given I=N-Z value, the corrected yields of isotopes relative to the yield of C12 show a power law distribution Y(N,Z)/Y(12C)~A-τ in the mass range 1⩽A⩽30, and the distributions are almost identical for the different reactions studied. The observed power law distributions change systematically when I of the isotopes changes and the extracted τ value decreases from 3.9 to 1.0 as I increases from -1 to 3. These observations are well reproduced by a simple deexcitation model, with which the power law distribution of the primary isotopes is determined to be τprim=2.4±0.2, suggesting that the disassembling system at the time of the fragment formation is indeed at, or very near, the critical point.

  13. Rate constant for the reaction SO + BrO yields SO2 + Br

    NASA Technical Reports Server (NTRS)

    Brunning, J.; Stief, L.

    1986-01-01

    The rate of the radical-radical reaction SO + BrO yields SO2 + Br has been determined at 298 K in a discharge flow system near 1 torr pressure with detection of SO and BrO via collision-free sampling mass spectrometry. The rate constant was determined using two different methods: measuring the decay of SO radicals in the presence of an excess of BrO and measuring the decay of BrO radicals in excess SO. The results from the two methods are in reasonable agreement and the simple mean of the two values gives the recommended rate constant at 298 K, k = (5.7 + or - 2.0) x 10 to the -11th cu cm/s. This represents the first determination of this rate constant and it is consistent with a previously derived lower limit based on SO2 formation. Comparison is made with other radical-radical reactions involving SO or BrO. The reaction SO + BrO yields SO2 + Br is of interest for models of the upper atmosphere of the earth and provides a potential coupling between atmospheric sulfur and bromine chemistry.

  14. The energy dependence of the pp {yields} K{sup +}n{Sigma}{sup +} reaction

    SciTech Connect

    Valdau, Yu.

    2011-10-24

    The energy dependence of the total cross section for the pp {yields} K{sup +}n{Sigma}{sup +} reaction has been investigated at the magnetic spectrometer COSY-ANKE. Signals from the production of the {Sigma}{sup +} hyperon were searched for in three simultaneously measured spectra. The values obtained for the total production cross section {sigma}({Sigma}{sup +}) are slightly below those of {sigma}({Sigma}{sup 0}) at the same excess energies. They follow a phase space dependence and do not show any evidence for strong threshold effects or a significant n{Sigma}{sup +} final state interaction.

  15. Off-shell effects for the reaction pp{yields}{pi}d at high energies

    SciTech Connect

    Lee, T.S.H.; Locher, M.P.; Lu, Y.

    1995-08-01

    The reaction pp {yields} {pi}d is studied in a relativistic meson rescattering model. For 1.3 < T{sub p} < 2.4 GeV, the differential cross section and the asymmetry are calculated and compared to experiment. The model introduces simple form factors for the leading {pi}N partial waves, which depend on the virtuality of the exchanged {pi} and {rho} mesons. All remaining input is derived from experimental constraints. The data can be described by energy-independent form factors. The asymmetries are sensitive to pp distortion factors and further details of the model. A paper describing our results was published.

  16. Proton source size measurements in the eA {yields} e{prime}ppX reaction

    SciTech Connect

    Aleksey Stavinskiy; Konstantin Mikhaylov; R. Lednicky; Alexander Vlassov; Et. Al.

    2004-06-01

    Two-proton correlations at small relative momentum q were studied in the eA({sup 3}He, {sup 4}He, C, Fe) {yields} e{prime}ppX reaction at E{sub 0} = 4.46 GeV using the CLAS detector at Jefferson Lab. The enhancement of the correlation function at small q was found to be in accordance with theoretical expectation. Emission region sizes were extracted and proved to be dependent on A and proton momentum. The size of the two-proton emission region on the lightest possible nucleus, He, was measured for the first time.

  17. Kinetics of the reaction HO2 + NO2 + M yields HO2NO2 + M

    NASA Technical Reports Server (NTRS)

    Sander, S. P.; Peterson, M. E.

    1984-01-01

    The flash photolysis/ultraviolet absorption technique was used to measure the rate constants for the reaction HO2 + NO2 + M yields HO2NO2 + M over the pressure range 50-700 torr and temperature range 229-362 K using He, O2, and N2 as diluent gases. The data were fit to the expression derived by Troe (1979) and co-workers for describing the pressure and temperature dependence of reactions in the falloff region. By combining these data with recent measurements of the rate constant for HO2NO2 thermal decomposition values of 73.8 + or - 2 eu for the standard entropy and -12.6 + or - kcal/mol for the standard enthalpy of formation of HO2NO2 were obtained. A significant enhancement in the rate constant was observed when water vapor was added to the system.

  18. Data on photoneutron reactions from various experiments for 133Cs, 138Ba and 209Bi nuclei

    NASA Astrophysics Data System (ADS)

    Varlamov, V. V.; Ishkhanov, B. S.; Orlin, V. N.; Peskov, N. N.

    2016-07-01

    Basic methods for determining cross sections for photoneutron partial reactions are examined. They are obtained directly in experiments with quasimonoeneregetic annihilation photons or from the cross section for the ( γ, xn) = ( γ, 1 n) + 2( γ, 2 n) + 3( γ, 3 n) +... neutron-yield reaction in experiments with bremsstrahlung photons by introducing corrections based on statistical nuclear-reaction theory. The difference in the conditions of these experiments, which leads to discrepancies between their results because of sizable systematic errors, is analyzed. Physical criteria are used to study the reliability of data on the photodisintegration of 133Cs, 138Ba, and 209Bi nuclei. The cross sections for partial and total reactions satisfying the reliability criteria are evaluated within the experimental-theoretical method ( σ eval( γ, in) = F i theor × σ expt( γ, xn)) on the basis of the experimental cross sections σ expt( γ, xn) and the results of the calculations within the combined model of photonuclear reactions.

  19. Comprehensive analysis of large α yields observed in 6Li-induced reactions

    NASA Astrophysics Data System (ADS)

    Lei, Jin; Moro, Antonio M.

    2017-04-01

    Background: Large α yields have been reported over the years in reactions with 6Li and 7Li projectiles. Previous theoretical analyses have shown that the elastic breakup (EBU) mechanism (i.e., projectile breakup leaving the target in its ground state) is able to account only for a small fraction of the total α -inclusive breakup cross sections, pointing toward the dominance of nonelastic breakup (NEB) mechanisms. Purpose: We aim to provide a systematic study of the α -inclusive cross sections observed in nuclear reactions induced by 6Li projectiles. In addition to estimating the total α singles' cross sections, it is our goal to evaluate angular and energy distributions of these α particles and compare them with experimental data, when available. Method: We compute separately the EBU and NEB components of the inclusive breakup cross sections. For the former, we use the continuum-discretized coupled-channels (CDCC) method, which treats this mechanism to all orders. For the NEB part, we employ the model proposed by Ichimura et al. [Phys. Rev. C 32, 431 (1985)], 10.1103/PhysRevC.32.431, within the distorted-wave Born approximation (DWBA). Results: Overall, the sum of the computed EBU and NEB cross sections is found to reproduce very well the measured singles' cross sections. In all cases analyzed, we find that the inclusive breakup cross section is largely dominated by the NEB component. Conclusions: The presented method provides a global and systematic description of inclusive breakup reactions induced by 6Li projectiles. It provides also a natural explanation of the previously observed underestimation of the measured α yields by CDCC calculations. The method used here can be extended to other weakly bound projectiles, including halo nuclei.

  20. Kinetic and Product Yields of the Gas-Phase Reactions of Isoprene Hydroperoxides with Atmospheric Oxidants

    NASA Astrophysics Data System (ADS)

    Kumar, V.; Lozano, E. I.; Maitra, S.; Manning, D. M.; Cervantes, R.; Hasson, A. S.

    2015-12-01

    Isoprene is a volatile organic compound (VOC) that is emitted into the atmosphere by plants and trees. It has the largest emission rate of any non-methane VOC and is very reactive, and therefore has a major impact on the chemical composition of the atmosphere. Isoprene Hydroperoxides (IHP) are formed in the atmosphere from the chemical degradation of isoprene. These compounds can then potentially react in the atmosphere with atmospheric oxidants (ozone, OH, NO3) to produce secondary products. This chemistry is potentially important as it may contribute to particle growth and to mediation of ozone concentrations. In this work, the kinetics and mechanisms of the reactions of two IHPs with ozone were investigated. IHPs were synthesized and purified, and were characterized by NMR and HPLC. The gas phase chemistry of these compounds was then studied in chamber experiments using PTRMS as the primary analytical tool. The rate coefficients for reaction with ozone were measured at room temperature and 1 atmosphere using the relative rate technique, and yields of major gas phase reaction products were measured. Implications of these results will be discussed.

  1. Calculated potential surfaces for the reactions: O + N2 yields NO + N and N + O2 yields NO + O

    NASA Technical Reports Server (NTRS)

    Walch, Stephen P.; Jaffe, Richard J.

    1986-01-01

    Complete Active Space SCF/Contracted CI (CASSCF/CCI) calculations, using large Gaussian basis sets, are presented for selected portions of the potential surfaces for the reactions in the Zeldovich mechanism for the conversion of N2 to NO. The N + O2 reaction is exoergic by 32 kcal/mole and is computed to have an early barrier of 10.2 kcal/mole for the (sup 2)A(sup prime) surface and 18.0 kcal/mole for the (sup 4)A(sup prime) surface. The O + N2 reaction is endoergic by 75 kcal/mole. The (sup 3)A(sup double prime) surface is calculated to have a late barrier of 0.5 kcal/mole, while the (sup 3)A(sup prime) surface is calculated to have a late barrier of 14.4 kcal/mole.

  2. THE GAS PHASE REACTION OF OZONE WITH 1,3-BUTADIENE: FORMATION YIELDS OF SOME TOXIC PRODUCTS. (R826236)

    EPA Science Inventory

    The formation yields of acrolein, 1,2-epoxy-3-butene and OH radicals have been measured from reaction of ozone with 1,3-butadiene at room temperature and atmosphere pressure. 1,3,5-Trimethyl benzene was added to scavenge OH radicals in measurements of product yields. In separa...

  3. THE GAS PHASE REACTION OF OZONE WITH 1,3-BUTADIENE: FORMATION YIELDS OF SOME TOXIC PRODUCTS. (R826236)

    EPA Science Inventory

    The formation yields of acrolein, 1,2-epoxy-3-butene and OH radicals have been measured from reaction of ozone with 1,3-butadiene at room temperature and atmosphere pressure. 1,3,5-Trimethyl benzene was added to scavenge OH radicals in measurements of product yields. In separa...

  4. Influence of reaction atmosphere and solvent on biochar yield and characteristics.

    PubMed

    Marx, S; Chiyanzu, I; Piyo, N

    2014-07-01

    Sunflower husks were converted to biochar via thermochemical liquefaction in different solvents and reaction atmospheres. Highest biochar yields obtained was 574 g kg(-1) husks. Surface area of the produced chars and evolution of aromatic compounds in the biochar structure increased with an increase in temperature. Volatile matter and N-content decreased and S-content decreased significantly with an increase in temperature which is favourable should the biochars be used for combustion. The HHV of the biochars were significantly higher than that of the feedstock as was also indicated by the energy densification ratio. The biochars compared favourable with coal on a Van Krevelen diagram, showing the possibility of the biochars for application in co-gasification. CO2 performed better in retaining the energy of the feedstock in the biochar (up to 58%). It was shown that sunflower husks are a viable feedstock for the production of biochars for application in co-gasification or combustion.

  5. Measurement and analysis of the pp{yields}pp{gamma} reaction at 310 MeV

    SciTech Connect

    Johansson, A.; Haberzettl, H.; Nakayama, K.; Wilkin, C.

    2011-05-15

    The pp{yields}pp{gamma} reaction has been studied at a beam energy of 310 MeV by detecting both final protons at the PROMICE-WASA facility and identifying the photon through the resulting missing-mass peak. The photon angular distribution in the center-of-mass system and those of the proton-proton relative momentum with respect to the beam direction and to that of the recoil photon were determined reliably up to a final pp excitation energy of E{sub pp}{approx}30 MeV. Except for very small E{sub pp} values, the behavior of these distributions with excitation energy is well reproduced by a new refined model of the hard bremsstrahlung process. The model reproduces absolutely the total cross section and its energy dependence to within the experimental and theoretical uncertainties.

  6. Kinetics of the reaction O + ClO yields Cl + O2

    NASA Technical Reports Server (NTRS)

    Leu, M.-T.

    1984-01-01

    The bimolecular rate constant for the reaction O + ClO yields Cl + O2 has been measured over the temperature range 236-422 K in a discharge flow system using atomic oxygen resonance fluorescence at 130 nm to monitor the decay of O in an excess of ClO. The results are found to be independent of the method used to produce the ClO radical. At 296 K, the rate constant is given by (3.6 + or - 0.7) x 10 to the -11th cu cm/sec and the temperature dependence expressed in Arrhenius form by k2 = (5.0 + or - 1.0) x 10 to the -11th exp-(96 + or - 20)/T cu cm/sec. The results are compared with earlier values, and the implications for stratospheric chemistry are discussed briefly.

  7. A peptide-stainless steel reaction that yields a new bioorganic-metal state of matter.

    PubMed

    Davis, Elisabeth M; Li, Dong-Yang; Irvin, Randall T

    2011-08-01

    A synthetic peptide derived from the native protein sequence of a metal binding bacterial pilus was observed to spontaneously react with stainless steel via a previously unreported type of chemical interaction to generate an altered form of stainless steel which we term bioorganic stainless steel. Bioorganic stainless steel has a significantly increased electron work function (4.9 ± 0.05 eV compared to 4.79 ± 0.07 eV), decreased material adhesive force (19.4 ± 8.8 nN compared to 56.7 ± 10.5 nN), and is significantly harder than regular 304 stainless steel (~40% harder). A formal or semi-formal organo-metallic covalent bond is generated between a pilin receptor binding domain and stainless steel based on XPS analysis which indicates that the electronic state of the surface is altered. Further, we establish that the peptide-steel reaction demonstrates a degree of stereospecificity as the reaction of native L-peptide, D-peptide and a retro-inverso-D-peptide yields bioorganic steel products that can be differentiated via the resulting EWF (4.867 ± 0.008 eV, 4.651 ± 0.008 eV, and 4.919 ± 0.007 eV, respectively). We conclude that electron sharing between the peptide and steel surface results in the stabilization of surface electrons to generate bioorganic steel that displays altered properties relative to the initial starting material. The bioorganic steel generated from the retro-inverso-D-peptide yields a protease stable product that is harder (41% harder at a 400 μN load), and has a 50% lower corrosion rate compared with regular stainless steel (0.11 ± 0.03 mpy and 0.22 ± 0.04 mpy, respectively). Bioorganic steel is readily fabricated.

  8. Probing a chemical compass: novel variants of low-frequency reaction yield detected magnetic resonance.

    PubMed

    Maeda, Kiminori; Storey, Jonathan G; Liddell, Paul A; Gust, Devens; Hore, P J; Wedge, C J; Timmel, Christiane R

    2015-02-07

    We present a study of a carotenoid-porphyrin-fullerene triad previously shown to function as a chemical compass: the photogenerated carotenoid-fullerene radical pair recombines at a rate sensitive to the orientation of an applied magnetic field. To characterize the system we develop a time-resolved Low-Frequency Reaction Yield Detected Magnetic Resonance (tr-LF-RYDMR) technique; the effect of varying the relative orientation of applied static and 36 MHz oscillating magnetic fields is shown to be strongly dependent on the strength of the oscillating magnetic field. RYDMR is a diagnostic test for involvement of the radical pair mechanism in the magnetic field sensitivity of reaction rates or yields, and has previously been applied in animal behavioural experiments to verify the involvement of radical-pair-based intermediates in the magnetic compass sense of migratory birds. The spectroscopic selection rules governing RYDMR are well understood at microwave frequencies for which the so-called 'high-field approximation' is valid, but at lower frequencies different models are required. For example, the breakdown of the rotating frame approximation has recently been investigated, but less attention has so far been given to orientation effects. Here we gain physical insights into the interplay of the different magnetic interactions affecting low-frequency RYDMR experiments performed in the challenging regime in which static and oscillating applied magnetic fields as well as internal electron-nuclear hyperfine interactions are of comparable magnitude. Our observations aid the interpretation of existing RYDMR-based animal behavioural studies and will inform future applications of the technique to verify and characterize further the biological receptors involved in avian magnetoreception.

  9. Associated strangeness production in the pp{yields}pK{sup +}K{sup -}p and pp{yields}pK{sup +{pi}0{Sigma}0} reactions

    SciTech Connect

    Xie Jujun; Wilkin, Colin

    2010-08-15

    The total and differential cross sections for associated strangeness production in the pp{yields}pK{sup +}K{sup -}p and pp{yields}pK{sup +{pi}0{Sigma}0} reactions have been studied in a unified approach using an effective Lagrangian model. It is assumed that both the K{sup -}p and {pi}{sup 0{Sigma}0} final states originate from the decay of the {Lambda}(1405) that was formed in the production chain pp{yields}p(N*(1535){yields}K{sup +{Lambda}}(1405)). The available experimental data are well reproduced, especially the ratio of the two total cross sections, which is much less sensitive to the particular model of the entrance channel. The significant coupling of the N*(1535) to {Lambda}(1405)K is further evidence for large ss-bar components in the quark wave function of the N*(1535).

  10. Organocatalytic sequential α-amination/Corey-Chaykovsky reaction of aldehydes: a high yield synthesis of 4-hydroxypyrazolidine derivatives.

    PubMed

    Kumar, B Senthil; Venkataramasubramanian, V; Sudalai, Arumugam

    2012-05-18

    A tandem reaction of in situ generated α-amino aldehydes with dimethyloxosulfonium methylide under Corey-Chaykovsky reaction conditions proceeds efficiently to give 4-hydroxypyrazolidine derivatives in high yields with excellent enantio- and diastereoselectivities. This organocatalytic sequential method provides for the efficient synthesis of anti-1,2-aminoalcohols, structural subunits present in several bioactive molecules as well.

  11. Exclusive pp{yields}pp{pi}{sup +{pi}-} reaction: From the threshold to LHC

    SciTech Connect

    Lebiedowicz, P.; Szczurek, A.

    2010-02-01

    We evaluate differential distributions for the four-body pp{yields}pp{pi}{sup +{pi}-} (and pp{yields}pp{pi}{sup +{pi}-}) reaction which constitutes an irreducible background to three-body processes pp{yields}ppM, where M are a broad resonances in the {pi}{sup +{pi}-} channel, e.g., M={sigma}, {rho}{sup 0}, f{sub 0}(980), f{sub 2}(1275), f{sub 0}(1500). We include both double-diffractive contribution (both Pomeron and Reggeon exchanges) as well as pion-pion rescattering contribution. The first process dominates at higher energies and small pion-pion invariant masses while the second becomes important at lower energies and higher pion-pion invariant masses. The amplitude(s) is(are) calculated in the Regge approach. We compare our results with measured cross sections for the Intersecting Storage Ring and Fermi National Accelerator Laboratory experiments. We make predictions for future experiments at the anti-Proton ANnihilation at DArmstadt (PANDA), Relativistic Heavy Ion Collider, Tevatron, and LHC energies. Differential distributions in invariant two-pion mass, pion rapidities and transverse momenta of pions are presented. The two-dimensional distribution in (y{sub {pi}}{sup +},y{sub {pi}}{sup -}) is particularly interesting. The higher the incident energy, the higher preference for the same-hemisphere emission of pions. The processes considered constitute a sizeable contribution to the total nucleon-nucleon cross section as well as to pion inclusive cross section.

  12. Organocatalytic azomethine imine-olefin click reaction: high-yielding stereoselective synthesis of spiroindane-1,3-dione-pyrazolidinones.

    PubMed

    Ramachary, Dhevalapally B; Prabhakar Reddy, T; Suresh Kumar, A

    2016-07-06

    In search of developing new useful "click reactions", herein we report the organocatalytic azomethine imine-olefin [3 + 2]-cycloaddition as a new click reaction for the synthesis of drug-like spiroindane-1,3-dione-pyrazolidinones from indane-1,3-diones, aldehydes and N,N-cyclic azomethine imines through amino acid-catalysis. The scope of this new click reaction is demonstrated using many examples with high reactivity, selectivity and yields.

  13. 2-Formylcinnamaldehyde formation yield from the OH radical-initiated reaction of naphthalene: effect of NO(2) concentration.

    PubMed

    Nishino, Noriko; Arey, Janet; Atkinson, Roger

    2012-08-07

    Naphthalene, typically the most abundant polycyclic aromatic hydrocarbon in the atmosphere, reacts with OH radicals by addition to form OH-naphthalene adducts. These OH-naphthalene adducts react with O(2) and NO(2), with the two reactions being of equal importance in air at an NO(2) mixing ratio of ∼60 ppbv. 2-Formylcinnamaldehyde [o-HC(O)C(6)H(4)CH═CHCHO] is a major product of the OH radical-initiated reaction of naphthalene, with a yield from the reaction of OH-naphthalene adducts with NO(2) of ∼56%. We have measured, on a relative basis, the formation yield of 2-formylcinnamaldehyde from the OH radical-initiated reaction of naphthalene in air at average NO(2) concentrations of 1.2 × 10(11), 1.44 × 10(12), and 1.44 × 10(13) molecules cm(-3) (mixing ratios of 0.005, 0.06, and 0.6 ppmv, respectively). These NO(2) concentrations cover the range of conditions corresponding to the OH-naphthalene adducts reacting ∼90% of the time with O(2) to ∼90% of the time with NO(2). The 2-formylcinnamaldehyde formation yield decreased with decreasing NO(2) concentration, and a yield from the OH-naphthalene adducts + O(2) reaction of 14% is obtained based on a 56% yield from the OH-naphthalene adducts + NO(2) reaction. Based on previous measurements of glyoxal and phthaldialdehyde from the naphthalene + OH reaction and literature data for the OH radical-initiated reactions of monocyclic aromatic hydrocarbons, the reactions of OH-naphthalene adducts with O(2) appear to differ significantly from the OH-monocyclic adduct + O(2) reactions.

  14. Yields of carbonyl products from gas-phase reactions of fragrance compounds with OH radical and ozone.

    PubMed

    Forester, Crystal D; Wells, J Raymond

    2009-05-15

    Chamber studies to quantify formation yields of oxygenated organic reaction products were performed for gas-phase reactions of the hydroxyl radical (OH*) and ozone (03) with the common cleaning product terpene compounds limonene, alpha-terpineol, and geraniol. The reaction products observed were identified and quantified using derivatization by O-(2,3,4,5,6-pentafluorobenzyl)hydroxylamine (PFBHA) and gas chromatography/mass spectrometry. Limonene rate constants and product mechanisms have been examined previously. Several of these investigations have measured productyields from limonene reactions and those results are compared with the results presented here. Although rate constants and product mechanisms have previously been investigated for alpha-terpineol and geraniol, yields of oxygenated organic reaction products have not been measured. Reactions from the fragrance compounds in this study produced several dicarbonyl reaction products such as glyoxal, methylglyoxal, and 4-oxopentanal which were observed from all three terpenes. Total carbonyl yields ranged from 5.1% for the limonene + O3 reaction to 92% for the geraniol + O3 reaction.

  15. Application of a "black body" like reactor for measurements of quantum yields of photochemical reactions in heterogeneous systems.

    PubMed

    Emeline, A V; Zhang, X; Jin, M; Murakami, T; Fujishima, A

    2006-04-13

    We report for the first time an experimental application of the concept of a "black body" like reactor to measure quantum yields (Phi) of photochemical reactions in liquid-solid heterogeneous systems. A major advantage of this new method is its simplicity since the fractions of reflected and transmitted light are negligible due to reactor geometry and high optical density of the heterogeneous systems. The average quantum yield of a test reaction (phenol photodegradation) over TiO(2) (Degussa P25) as determined by this method was 0.14, identical to the quantum yield measured earlier for this same reaction under similar conditions by Salinaro and Serpone. We also report the quantum yield of phenol photodegradation over N-doped TiO(2) during photoexcitation at the fundamental absorption band (lambda = 365 nm; Phi = 0.12) and at the N-doping induced extrinsic absorption band (lambda = 436 nm; Phi = 0.08) of the photocatalyst.

  16. A Time-Dependent Quantum Dynamics Study of the H2 + CH3 yields H + CH4 Reaction

    NASA Technical Reports Server (NTRS)

    Wang, Dunyou; Kwak, Dochan (Technical Monitor)

    2002-01-01

    We present a time-dependent wave-packet propagation calculation for the H2 + CH3 yields H + CH4 reaction in six degrees of freedom and for zero total angular momentum. Initial state selected reaction probability for different initial rotational-vibrational states are presented in this study. The cumulative reaction probability (CRP) is obtained by summing over initial-state-selected reaction probability. The energy-shift approximation to account for the contribution of degrees of freedom missing in the 6D calculation is employed to obtain an approximate full-dimensional CRP. Thermal rate constant is compared with different experiment results.

  17. Isobaric yield ratios and the symmetry energy in heavy-ion reactions near the Fermi energy

    SciTech Connect

    Huang, M.; Chen, Z.; Kowalski, S.; Ma, Y. G.; Wada, R.; Hagel, K.; Barbui, M.; Bottosso, C.; Materna, T.; Natowitz, J. B.; Qin, L.; Rodrigues, M. R. D.; Sahu, P. K.; Keutgen, T.; Bonasera, A.; Wang, J.

    2010-04-15

    The relative isobaric yields of fragments produced in a series of heavy-ion-induced multifragmentation reactions have been analyzed in the framework of a modified Fisher model, primarily to determine the ratio of the symmetry energy coefficient to the temperature, a{sub sym}/T, as a function of fragment mass A. The extracted values increase from 5 to approx16 as A increases from 9 to 37. These values have been compared to the results of calculations using the antisymmetrized molecular dynamics (AMD) model together with the statistical decay code gemini. The calculated ratios are in good agreement with those extracted from the experiment. In contrast, the values extracted from the ratios of the primary isobars from the AMD model calculation are approx4 to 5 and show little variation with A. This observation indicates that the value of the symmetry energy coefficient derived from final fragment observables may be significantly different than the actual value at the time of fragment formation. The experimentally observed pairing effect is also studied within the same simulations. The Coulomb coefficient is also discussed.

  18. Fission Reaction Event Yield Algorithm, FREYA - For event-by-event simulation of fission

    NASA Astrophysics Data System (ADS)

    Verbeke, J. M.; Randrup, J.; Vogt, R.

    2015-06-01

    From nuclear materials accountability to detection of special nuclear material, SNM, the need for better modeling of fission has grown over the past decades. Current radiation transport codes compute average quantities with great accuracy and performance, but performance and averaging come at the price of limited interaction-by-interaction modeling. For fission applications, these codes often lack the capability of modeling interactions exactly: energy is not conserved, energies of emitted particles are uncorrelated, prompt fission neutron and photon multiplicities are uncorrelated. Many modern applications require more exclusive quantities than averages, such as the fluctuations in certain observables (e.g. the neutron multiplicity) and correlations between neutrons and photons. The new computational model, FREYA (Fission Reaction Event Yield Algorithm), aims to meet this need by modeling complete fission events. Thus it automatically includes fluctuations as well as correlations resulting from conservation of energy and momentum. FREYA has been integrated into the LLNL Fission Library, and will soon be part of MCNPX2.7.0, MCNP6, TRIPOLI-4.9, and Geant4.10.

  19. Validation of GEANT4 simulations for 62,63Zn yield estimation in proton induced reactions of natural copper

    NASA Astrophysics Data System (ADS)

    Rostampour, Malihe; Sadeghi, Mahdi; Aboudzadeh, Mohammadreza; Hamidi, Saeid; Hosseini, Seyedeh Fatemeh

    2017-03-01

    A useful approach to optimize of radioisotope production is the use of Monte Carlo simulations prior to experimentation. In this paper, the GEANT4 code was employed to calculate the saturation yields of 62,63Zn from proton-induced reactions of natural copper, enriched 63Cu and 65Cu. In addition, the saturation yields of the investigated radio-nuclides were calculated using the stopping power from the SRIM-2013 and reported experimental data for cross sections. The simulated saturation yields were compared with experimental values. Good agreement between the experimental and corresponding simulated data demonstrated that GEANT4 provides a suitable tool for radionuclide simulation production using proton irradiation.

  20. The 44Ti(alpha,p) reaction and its implication on the 44Ti yield in supernovae

    PubMed

    Sonzogni; Rehm; Ahmad; Borasi; Bowers; Brumwell; Caggiano; Davids; Greene; Harss; Heinz; Henderson; Janssens; Jiang; McMichael; Nolen; Pardo; Paul; Schiffer; Segel; Seweryniak; Siemssen; Truran; Uusitalo; Wiedenhover; Zabransky

    2000-02-21

    Cross sections for the 44Ti(alpha,p)47V reaction which significantly affects the yield of 44Ti in supernovae were measured in the energy range 5.7 MeVreaction rates are larger than the results from theoretical calculations by about a factor of 2. The implications of this increase in the reaction rate for the search of supernovae using space-based gamma detectors are discussed.

  1. High-yield production of pure tagatose from fructose by a three-step enzymatic cascade reaction.

    PubMed

    Lee, Seon-Hwa; Hong, Seung-Hye; Kim, Kyoung-Rok; Oh, Deok-Kun

    2017-08-01

    To produce tagatose from fructose with a high conversion rate and to establish a high-yield purification method of tagatose from the reaction mixture. Fructose at 1 M (180 g l(-1)) was converted to 0.8 M (144 g l(-1)) tagatose by a three-step enzymatic cascade reaction, involving hexokinase, plus ATP, fructose-1,6-biphosphate aldolase, phytase, over 16 h with a productivity of 9 g l(-1) h(-1). No byproducts were detected. Tagatose was recrystallized from ethanol to a purity of 99.9% and a yield of 96.3%. Overall, tagatose at 99.9% purity was obtained from fructose with a yield of 77%. This is the first biotechnological production of tagatose from fructose and the first application of solvent recrystallization for the purification of rare sugars.

  2. Assessing future drought impacts on yields based on historical irrigation reaction to drought for four major crops in Kansas.

    PubMed

    Zhang, Tianyi; Lin, Xiaomao

    2016-04-15

    Evaluation of how historical irrigation reactions can adapt to future drought is indispensable to irrigation policy, however, such reactions are poorly quantified. In this paper, county-level irrigation data for maize, soybean, grain sorghum, and wheat crops in Kansas were compiled. Statistical models were developed to quantify changes of irrigation and yields in response to drought for each crop. These were then used to evaluate the ability of current irrigation to cope with future drought impacts on each crop based on an ensemble Palmer Drought Severity Index (PDSI) prediction under the Representative Concentration Pathways 4.5 scenario. Results indicate that irrigation in response to drought varies by crop; approximately 10 to 13% additional irrigation was applied when PDSI was reduced by one unit for maize, soybean, and grain sorghum. However, the irrigation reaction for wheat exhibits a large uncertainty, indicating a weaker irrigation reaction. Analysis of future climate conditions indicates that maize, soybean, and grain sorghum yields would decrease 2.2-12.4% at the state level despite additional irrigation application induced by drought (which was expected to increase 5.1-19.0%), suggesting that future drought will exceed the range that historical irrigation reactions can adapt to. In contrast, a lower reduction (-0.99 to -0.63%) was estimated for wheat yields because wetter climate was projected in the central section of the study area. Expanding wheat areas may be helpful in avoiding future drought risks for Kansas agriculture.

  3. Temperature dependent product yields for the spin forbidden singlet channel of the C(3P) + C2H2 reaction

    NASA Astrophysics Data System (ADS)

    Hickson, Kevin M.; Loison, Jean-Christophe; Wakelam, Valentine

    2016-08-01

    The atomic hydrogen formation channels of the C + C2H2 reaction have been investigated using a continuous supersonic flow reactor over the 52-296 K temperature range. H-atoms were detected directly at 121.567 nm by vacuum ultraviolet laser induced fluorescence. Absolute H-atom yields were determined by comparison with the H-atom signal generated by the C + C2H4 reaction. The product yields agree with earlier crossed beam experiments employing universal detection methods. Incorporating these branching ratios in a gas-grain model of dense interstellar clouds increases the c-C3H abundance. This reaction is a minor source of C3-containing molecules in the present simulations.

  4. Scaling phenomena of isobaric yields in projectile fragmentation, spallation, and fission reactions

    NASA Astrophysics Data System (ADS)

    Ma, Chun-Wang; Huang, Ling; Song, Yi-Dan

    2017-02-01

    Background: The isobaric ratio difference scaling phenomenon, which has been found for the fragments produced in projectile fragmentation reactions, is related to the nuclear density change in reaction systems. Purpose: To verify whether the isobaric ratio difference scaling exists in the fragments produced in the spallation and fission reactions. Methods: The isobaric ratio difference scaling, denoted by SΔ lnR21 , is in theory deduced within the framework of the canonical ensemble theory at the grand-canonical limitation. The fragments measured in a series of projectile fragmentation, spallation, and fission reactions have been analyzed. Results: A good SΔ lnR21 scaling phenomenon is shown for the fragments produced both in the projectile fragmentation reactions and in the spallation reactions, whereas the SΔ lnR21 scaling phenomenon for the fragments in the fission reaction is less obvious. Conclusions: The SΔ lnR21 scaling is used to probe the properties of the equilibrium system at the time of fragment formation. The good scaling of SΔ lnR21 suggests that the equilibrium state can be achieved in the projectile fragmentation and spallation reactions. Whereas in the fission reaction, the result of SΔ lnR21 indicates that the equilibrium of the system is hard to achieve.

  5. Reactions of ozone with. alpha. -pinene and. beta. -pinene in air: Yields of gaseous and particulate products

    SciTech Connect

    Hatakeyama, S.; Izumi, K.; Fukuyama, T.; Akimoto, H. )

    1989-09-20

    Reactions of ozone with {alpha}-prinene and {beta}-pinene were studied for the purpose of obtaining the quantitative yields of gaseous and particulate products. Major gaseous products from {alpha}-pinene were CO, CO{sub 2}, HCHO, and aldehydes mainly composed of pinonaldehyde and nor-pinonaldehyde, while those from {beta}-pinene were CO{sub 2}, HCHO, and 6,6-dimethylbicyclo(3.1.1)heptan-2-one. Average molar yields from {alpha}-pinene were CO; 9{plus minus}1%, CO{sub 2}; 30{plus minus}2%, HCHO; 22{plus minus}1%, and aldehydes; 51{plus minus}6%. Average molar yields from {beta}-pinene were CO{sub 2}; 27{plus minus}2%, HCHO; 76{plus minus}2%, and 6,6-dimethylbicyclo(3.1.1)heptan-2-one; 40{plus minus}2%. Particulate products were found to include pinonaldehyde, nor-pinonaldehyde, pinonic acid, and nor-pinonic acid from {alpha}-pinene. The yields of the particulate aldehydes decreased with the reaction time, whereas the yields of the acids increased. This observation suggests the sequential oxidation of aldehydes to carboxylic acids. From {beta}-pinene, only 6,6-dimethylbicyclo(3.1.1)heptan-2-one was identified as a particulate product. For {alpha}-pinene, most of the products are explainable in terms of the reaction mechanism similar to that for the cyclohexene/ozone reaction, whereas for {beta}-pinene the principal reaction path is that of the doubly substituted Criegee intermediate. The total yields of organic aerosols from both {alpha}- and {beta}-pinene were measured with their concentrations at a lower ppb level. The yields were found almost constant in a pinene concentration range from 10 up to 100 ppb, being 18.3{plus minus}1.1 and 13.8{plus minus}0.8% for {alpha}- and {beta}-pinene, respectively, which are much lower than the previously reported values. {copyright} American Geophysical Union 1989

  6. Pulsed Photonuclear Assessment (PPA) Technique: CY 04 Year-end Progress Report

    SciTech Connect

    J.L. Jones; W.Y. Yoon; K.J. Haskell; D.R. Norman; J.M. Zabriskie; J.W. Sterbentz; S.M. Watson; J.T. Johnson; B.D. Bennett; R.W. Watson; K. L. Folkman

    2005-05-01

    Idaho National Laboratory (INL), along with Los Alamos National Laboratory (LANL) and Idaho State University’s Idaho Accelerator Center (IAC), are developing an electron accelerator-based, photonuclear inspection technology for the detection of smuggled nuclear material within air-, rail-, and especially, maritime-cargo transportation containers. This CY04 report describes the latest developments and progress with the development of the Pulsed, Photonuclear Assessment (PPA) nuclear material inspection ystem, such as: (1) the identification of an optimal range of electron beam energies for interrogation applications, (2) the development of a new “cabinet safe” electron accelerator (i.e., Varitron II) to assess “cabinet safe-type” operations, (3) the numerical and experimental validation responses of nuclear materials placed within selected cargo configurations, 4) the fabrication and utilization of Calibration Pallets for inspection technology performance verification, 5) the initial technology integration of basic radiographic “imaging/mapping” with induced neutron and gamma-ray detection, 6) the characterization of electron beam-generated photon sources for optimal performance, 7) the development of experimentallydetermined Receiver-Operator-Characterization curves, and 8) several other system component assessments. This project is supported by the Department of Homeland Security and is a technology component of the Science & Technology Active Interrogation Portfolio entitled “Photofission-based Nuclear Material Detection and Characterization.”

  7. Shock tube study of the reaction H plus O2 plus Ar yields HO2 plus Ar

    NASA Technical Reports Server (NTRS)

    Jachimowski, C. J.; Houghton, W. M.

    1972-01-01

    Rate coefficient data for the recombination reaction H + 02 + Ar yields H02 + Ar have been determined from studies of lean hydrogen-oxygen mixtures behind incident shock waves over the temperature range of 948 to 1125 K. Hydroxyl radical concentration profiles were measured by ultraviolet absorption spectroscopy, and rate data were obtained through analysis of induction time and exponential growth parameter data. Analysis of the data yielded a rate coefficient which was generally lower than most of the more recent values obtained from shock tube studies. The effect of boundary layer formation on the conditions behind the shock was also examined and found to be negligible.

  8. Effect of a strong magnetic field on the energy yield of nuclear reactions in dense nuclear matter

    SciTech Connect

    Sekerzhitskii, V.S.

    1995-01-01

    According to modern concepts, the electron-neutron-nuclear (Aen) phase of dense highly degenerate matter can be realized in the shells of neutron stars. This phase has relatively stable and absolutely stable states of thermodynamic equilibrium. Strong magnetic fields can exist in neutron stars. For this reason, analysis of their effect on the characteristics of the Aen phase is of great interest. It is specially important to study the influence of strong magnetic fields on the energy yield of nuclear reactions in dense nuclear matter because the transition to the absolute equilibrium state proceeds through these reactions.

  9. Rate constant measurements for the reaction Cl + CH2O yields HCl + CHO Implications regarding the removal of stratospheric chlorine

    NASA Technical Reports Server (NTRS)

    Anderson, P. C.; Kurylo, M. J.

    1979-01-01

    The flash photolysis resonance fluorescence technique was employed to investigate the rate constant for the reaction Cl + CH2O yields HCl + CHO from 223 to 323 K. An Arrhenius fit of the data gives a rate constant equal to (1.09 + or - 0.40) x 10 to the -10th exp/-(131 + or - 98)/T/ in units of cu cm/molecule per sec. The results are compared to two very recent kinetic studies and are assessed in view of the reaction's role in disrupting the Cl-ClO stratospheric ozone depletion chain.

  10. Rate constant measurements for the reaction Cl + CH2O yields HCl + CHO Implications regarding the removal of stratospheric chlorine

    NASA Technical Reports Server (NTRS)

    Anderson, P. C.; Kurylo, M. J.

    1979-01-01

    The flash photolysis resonance fluorescence technique was employed to investigate the rate constant for the reaction Cl + CH2O yields HCl + CHO from 223 to 323 K. An Arrhenius fit of the data gives a rate constant equal to (1.09 + or - 0.40) x 10 to the -10th exp/-(131 + or - 98)/T/ in units of cu cm/molecule per sec. The results are compared to two very recent kinetic studies and are assessed in view of the reaction's role in disrupting the Cl-ClO stratospheric ozone depletion chain.

  11. Miniature high-throughput chemosensing of yield, ee, and absolute configuration from crude reaction mixtures.

    PubMed

    Bentley, Keith W; Zhang, Peng; Wolf, Christian

    2016-02-01

    High-throughput experimentation (HTE) has emerged as a widely used technology that accelerates discovery and optimization processes with parallel small-scale reaction setups. A high-throughput screening (HTS) method capable of comprehensive analysis of crude asymmetric reaction mixtures (eliminating product derivatization or isolation) would provide transformative impact by matching the pace of HTE. We report how spontaneous in situ construction of stereodynamic metal probes from readily available, inexpensive starting materials can be applied to chiroptical chemosensing of the total amount, enantiomeric excess (ee), and absolute configuration of a wide variety of amines, diamines, amino alcohols, amino acids, carboxylic acids, α-hydroxy acids, and diols. This advance and HTS potential are highlighted with the analysis of 1 mg of crude reaction mixtures of a catalytic asymmetric reaction. This operationally simple assay uses a robust mix-and-measure protocol, is amenable to microscale platforms and automation, and provides critical time efficiency and sustainability advantages over traditional serial methods.

  12. Miniature high-throughput chemosensing of yield, ee, and absolute configuration from crude reaction mixtures

    PubMed Central

    Bentley, Keith W.; Zhang, Peng; Wolf, Christian

    2016-01-01

    High-throughput experimentation (HTE) has emerged as a widely used technology that accelerates discovery and optimization processes with parallel small-scale reaction setups. A high-throughput screening (HTS) method capable of comprehensive analysis of crude asymmetric reaction mixtures (eliminating product derivatization or isolation) would provide transformative impact by matching the pace of HTE. We report how spontaneous in situ construction of stereodynamic metal probes from readily available, inexpensive starting materials can be applied to chiroptical chemosensing of the total amount, enantiomeric excess (ee), and absolute configuration of a wide variety of amines, diamines, amino alcohols, amino acids, carboxylic acids, α-hydroxy acids, and diols. This advance and HTS potential are highlighted with the analysis of 1 mg of crude reaction mixtures of a catalytic asymmetric reaction. This operationally simple assay uses a robust mix-and-measure protocol, is amenable to microscale platforms and automation, and provides critical time efficiency and sustainability advantages over traditional serial methods. PMID:26933684

  13. Fission fragment yield distribution in the heavy-mass region from the 239Pu (nth,f ) reaction

    NASA Astrophysics Data System (ADS)

    Gupta, Y. K.; Biswas, D. C.; Serot, O.; Bernard, D.; Litaize, O.; Julien-Laferrière, S.; Chebboubi, A.; Kessedjian, G.; Sage, C.; Blanc, A.; Faust, H.; Köster, U.; Ebran, A.; Mathieu, L.; Letourneau, A.; Materna, T.; Panebianco, S.

    2017-07-01

    The fission fragment yield distribution has been measured in the 239Pu(nth,f ) reaction in the mass region of A =126 to 150 using the Lohengrin recoil-mass spectrometer. Three independent experimental campaigns were performed, allowing a significant reduction of the uncertainties compared to evaluated nuclear data libraries. The long-standing discrepancy of around 10% for the relative yield of A =134 reported in JEF-2.2 and JEFF-3.1.1 data libraries is finally solved. Moreover, the measured mass distribution in thermal neutron-induced fission does not show any significant dip around the shell closure (A =136 ) as seen in heavy-ion fission data of 208Pb(18O, f ) and 238U(18O, f ) reactions. Lastly, comparisons between our experimental data and the predictions from Monte Carlo codes (gef and fifrelin) are presented and discussed.

  14. Etching yields and surface reactions of amorphous carbon by fluorocarbon ion irradiation

    NASA Astrophysics Data System (ADS)

    Karahashi, Kazuhiro; Li, Hu; Yamada, Kentaro; Ito, Tomoko; Numazawa, Satoshi; Machida, Ken; Ishikawa, Kiyoshi; Hamaguchi, Satoshi

    2017-06-01

    Etching yields of amorphous carbon (a-C) have been determined for Ar+, Ne+, F+, CF+, and CF3 + ion irradiation as functions of ion incident energy in the range from 300 to 2,000 eV. Amorphous carbon is often used as a hard mask material for reactive ion etching (RIE) of Si-based materials and its durability against chemically reactive etching is of primary importance. In this study, experiments on the ion-beam etching of a-C films were performed with a mass-selected ion beam system, which irradiated a sample surface with a single ion species at a specified incident energy under ultra high vacuum conditions. It is found that the etching yield of a-C can be strongly enhanced by the chemical effects of fluorine (F) contained in the incident ions over the corresponding physical sputtering yield. The yield data also show that the etching yield of a-C by fluorocarbon ions depends more sensitively on the amount of fluorine supplied to the surface than those of Si-based materials such as Si, SiO2, and Si3N4. Therefore, to minimize the erosion of a-C mask structures in an etching process for Si-based materials by fluorocarbon plasmas, one must optimize the fluorine content in the etching gas while maintaining sufficiently large etching rates for Si-based materials to be etched.

  15. Fission-fragment mass yields of highly excited nuclei with 119 ≤ A ≤ 218 produced in various reactions

    NASA Astrophysics Data System (ADS)

    Denisov, V. Yu.; Sedykh, I. Yu.

    2017-07-01

    The characteristics of fission fragments of various highly-excited nuclei with 119 ≤ A ≤ 218, which are formed by γ- and α-captures, and by fusion-fission reactions, are discussed in details. The yields of fission fragments of these nuclei are related to the number of states of the two-fragment systems at the two-body saddle points. The various experimental distributions of fission fragments are well described in the model.

  16. Yields of β-hydroxynitrates, dihydroxynitrates, and trihydroxynitrates formed from OH radical-initiated reactions of 2-methyl-1-alkenes

    PubMed Central

    Matsunaga, Aiko; Ziemann, Paul J.

    2010-01-01

    Yields of β-hydroxynitrates, dihydroxynitrates, and trihydroxynitrates, in particles formed from OH radical-initiated reactions of C9-C15 2-methyl-1-alkenes in the presence of NOx were measured by using a thermal desorption particle beam mass spectrometer coupled to a high-performance liquid chromatograph with a UV-visible (UV-vis) detector. Yields of β-hydroxynitrates and dihydroxynitrates increased with carbon number primarily due to enhanced gas-to-particle partitioning before reaching plateaus at ≈C14-C15, where the compounds were essentially entirely in the particle phase. Plateau yields of β-hydroxynitrates, dihydroxynitrates, and trihydroxynitrates were 0.183 ± 0.005, 0.045 ± 0.005, and 0.034 ± 0.005, and, after normalization for OH radical addition to the C = C double bond, were 0.225 ± 0.007, 0.055 ± 0.006, and 0.042 ± 0.006. The fractions of 1-hydroxy and 2-hydroxy β-hydroxynitrate isomers were 0.90/0.10. Yields measured here and in our previous study of reactions of linear internal alkenes and linear 1-alkenes indicate that, for these alkene classes, the relative branching ratios for forming tertiary, secondary, and primary β-hydroxyalkyl radicals by OH radical addition to the C = C double bond are 4.3/1.9/1.0, and the branching ratios for forming β-hydroxynitrates from reactions of tertiary, secondary, and primary β-hydroxyperoxy radicals with NO are 0.25, 0.15, and 0.12. The effects of H2O vapor and NH3 on yields were also explored. PMID:20080570

  17. Yields of beta-hydroxynitrates, dihydroxynitrates, and trihydroxynitrates formed from OH radical-initiated reactions of 2-methyl-1-alkenes.

    PubMed

    Matsunaga, Aiko; Ziemann, Paul J

    2010-04-13

    Yields of beta-hydroxynitrates, dihydroxynitrates, and trihydroxynitrates, in particles formed from OH radical-initiated reactions of C(9)-C(15) 2-methyl-1-alkenes in the presence of NO(x) were measured by using a thermal desorption particle beam mass spectrometer coupled to a high-performance liquid chromatograph with a UV-visible (UV-vis) detector. Yields of beta-hydroxynitrates and dihydroxynitrates increased with carbon number primarily due to enhanced gas-to-particle partitioning before reaching plateaus at approximately C(14)-C(15), where the compounds were essentially entirely in the particle phase. Plateau yields of beta-hydroxynitrates, dihydroxynitrates, and trihydroxynitrates were 0.183 +/- 0.005, 0.045 +/- 0.005, and 0.034 +/- 0.005, and, after normalization for OH radical addition to the C = C double bond, were 0.225 +/- 0.007, 0.055 +/- 0.006, and 0.042 +/- 0.006. The fractions of 1-hydroxy and 2-hydroxy beta-hydroxynitrate isomers were 0.90/0.10. Yields measured here and in our previous study of reactions of linear internal alkenes and linear 1-alkenes indicate that, for these alkene classes, the relative branching ratios for forming tertiary, secondary, and primary beta-hydroxyalkyl radicals by OH radical addition to the C=C double bond are 4.3/1.9/1.0, and the branching ratios for forming beta-hydroxynitrates from reactions of tertiary, secondary, and primary beta-hydroxyperoxy radicals with NO are 0.25, 0.15, and 0.12. The effects of H(2)O vapor and NH(3) on yields were also explored.

  18. Detailed mechanism of the CH2I + O2 reaction: Yield and self-reaction of the simplest Criegee intermediate CH2OO

    NASA Astrophysics Data System (ADS)

    Ting, Wei-Lun; Chang, Chun-Hung; Lee, Yu-Fang; Matsui, Hiroyuki; Lee, Yuan-Pern; Lin, Jim-Min, Jr.

    2014-09-01

    The application of a new reaction scheme using CH2I + O2 to generate the simplest Criegee intermediate, CH2OO, has stimulated lively research; the Criegee intermediates are extremely important in atmospheric chemistry. The detailed mechanism of CH2I + O2 is hence important in understanding kinetics involving CH2OO. We employed ultraviolet absorption to probe simultaneously CH2I2, CH2OO, CH2I, and IO in the reaction system of CH2I + O2 upon photolysis at 248 nm of a flowing mixture of CH2I2, O2, and N2 (or SF6) in the pressure range 7.6-779 Torr to investigate the reaction kinetics. With a detailed mechanism to model the observed temporal profiles of CH2I, CH2OO, and IO, we found that various channels of the reaction CH2I + O2 and CH2OO + I play important roles; an additional decomposition channel of CH2I + O2 to form products other than CH2OO or ICH2OO becomes important at pressure less than 60 Torr. The pressure dependence of the derived rate coefficients of various channels of reactions of CH2I + O2 and CH2OO + I has been determined. We derived a rate coefficient also for the self-reaction of CH2OO as k = (8 ± 4) × 10-11 cm3 molecule-1 s-1 at 295 K. The yield of CH2OO from CH2I + O2 was found to have a pressure dependence on N2 and O2 smaller than in previous reports; for air under 1 atm, the yield of ˜30% is about twice of previous estimates.

  19. Detailed mechanism of the CH₂I + O₂ reaction: yield and self-reaction of the simplest Criegee intermediate CH₂OO.

    PubMed

    Ting, Wei-Lun; Chang, Chun-Hung; Lee, Yu-Fang; Matsui, Hiroyuki; Lee, Yuan-Pern; Lin, Jim Jr-Min

    2014-09-14

    The application of a new reaction scheme using CH2I + O2 to generate the simplest Criegee intermediate, CH2OO, has stimulated lively research; the Criegee intermediates are extremely important in atmospheric chemistry. The detailed mechanism of CH2I + O2 is hence important in understanding kinetics involving CH2OO. We employed ultraviolet absorption to probe simultaneously CH2I2, CH2OO, CH2I, and IO in the reaction system of CH2I + O2 upon photolysis at 248 nm of a flowing mixture of CH2I2, O2, and N2 (or SF6) in the pressure range 7.6-779 Torr to investigate the reaction kinetics. With a detailed mechanism to model the observed temporal profiles of CH2I, CH2OO, and IO, we found that various channels of the reaction CH2I + O2 and CH2OO + I play important roles; an additional decomposition channel of CH2I + O2 to form products other than CH2OO or ICH2OO becomes important at pressure less than 60 Torr. The pressure dependence of the derived rate coefficients of various channels of reactions of CH2I + O2 and CH2OO + I has been determined. We derived a rate coefficient also for the self-reaction of CH2OO as k = (8 ± 4) × 10(-11) cm(3) molecule(-1) s(-1) at 295 K. The yield of CH2OO from CH2I + O2 was found to have a pressure dependence on N2 and O2 smaller than in previous reports; for air under 1 atm, the yield of ~30% is about twice of previous estimates.

  20. Gas-phase reaction products and yields of terpinolene with ozone and nitric oxide using a new derivatization agent

    NASA Astrophysics Data System (ADS)

    Ham, Jason E.; Jackson, Stephen R.; Harrison, Joel C.; Wells, J. R.

    2015-12-01

    The new derivatization agent, O-tert-butylhydroxylamine hydrochloride (TBOX) was used to investigate the carbonyl reaction products from terpinolene ozonolysis. With ozone (O3) as the limiting reagent, four carbonyl compounds were detected: methylglyoxal (MG), 4-methylcyclohex-3-en-1-one, (4MCH), 6-oxo-3-(propan-2-ylidene) heptanal (6OPH), and 3,6-dioxoheptanal (36DOH). The tricarbonyl 36DOH has not been previously observed. Using cyclohexane as a hydroxyl radical (OHrad) scavenger, the yields of 6OPH and 36DOH were reduced indicating the influence secondary OHrad radicals have on terpinolene ozonolysis products. However, the MG yield increased and the 4MCH yield was unchanged when OHrad radicals were scavenged suggesting they are only made by the terpinolene + O3 reaction. The detection of 36DOH using TBOX highlights the advantages of a smaller molecular weight derivatization agent for the detection of multi-carbonyl compounds. The product yields from terpinolene ozonolysis experiments conducted in the presence of 20 ppb nitric oxide (NO) remained unchanged except for MG which decreased. However, in experiments where O3 was kept constant at 50 ppb and NO was varied (20, 50, 100 ppb) MG, 6OPH, 36DOH decreased with increasing NO while 4MCH increased with increasing NO. The use of TBOX derivatization if combined with other derivatization agents may address a recurring need to simply and accurately detect multi-functional oxygenated species in air.

  1. Yield from Proton-Induced Reaction on Light Element Isotopes in the Hydrogen Plasma Focus

    NASA Astrophysics Data System (ADS)

    Udovičić, V.; Dragić, A.; Banjanac, R.; Joković, D.; Veselinović, N.; Aničin, I.; Savić, M.; Puzović, J.

    2011-12-01

    The high Q-value of some (p,α) fusion reactions is very important in the investigation that can lead to power production with controlled fusion using advanced fuels (hydrogen-lithium-7, hydrogen-boron-11). For this reason, it is crucial to know the rates of these fusion reactions. Unfortunately, in the fusion machines such as plasma focus device, the interaction energy is usually far below the Coulomb barrier. Because of that, direct measurements of the relevant reaction cross sections are practically impossible. A few different indirect approaches have been proposed. In this work the Trojan Horse Method (THM) will be described. On the basis of the results obtained from the THM method and data, which are well-known from our previous work (Banjanac et al. in Radiat Meas 40:483-485, 2005), the reaction rate for proton-induced reaction 7Li(p,α)α produced in the hydrogen plasma focus is calculated. This calculation will be compared with the measurements of α particles production rate using CR-39 detectors.

  2. Evaluation of mungbean genotypes based on yield stability and reaction to mungbean yellow mosaic virus disease.

    PubMed

    Alam, Akm Mahbubul; Somta, Prakit; Jompuk, Choosak; Chatwachirawong, Prasert; Srinives, Peerasak

    2014-09-01

    This work was conducted to identify mungbean genotypes showing yield stability and resistance to mungbean yellow mosaic virus (MYMV) disease. Sixteen genotypes were evaluated in a randomized complete block design with two replications for two years (2011 and 2012) at three locations (Gazipur, Ishurdi and Madaripur) of the Bangladesh Agricultural Research Institute. An analysis of variance exhibited significant effects of genotype (G), environment (E), and genotype × environment (G×E) on grain yield. Among eight agronomic characters, the principal component 1 (PC1) was always higher than the PC2. Considering G×E interaction, BM6 was the best genotype at all three locations in both years. Based on grain yield and stability performance, BM6 ranked first while the worst performing genotypes were BM1 and G10. Based on discrimination and representation, Gazipur was identified as an ideal environment for these mungbeans. Relationship between soil-plant analysis developments (SPAD) value was positive with yield but negative with MYMV severity. BM6, G1 and G2 were considered as promising sources of resistance for low disease score and stable response across the environments. The environment proved to have an influence on MYMV infection under natural infestation. A positive correlation was observed between disease score and the temperature under natural growing condition.

  3. Evaluation of Mungbean Genotypes Based on Yield Stability and Reaction to Mungbean Yellow Mosaic Virus Disease

    PubMed Central

    Alam, AKM Mahbubul; Somta, Prakit; Jompuk, Choosak; Chatwachirawong, Prasert; Srinives, Peerasak

    2014-01-01

    This work was conducted to identify mungbean genotypes showing yield stability and resistance to mungbean yellow mosaic virus (MYMV) disease. Sixteen genotypes were evaluated in a randomized complete block design with two replications for two years (2011 and 2012) at three locations (Gazipur, Ishurdi and Madaripur) of the Bangladesh Agricultural Research Institute. An analysis of variance exhibited significant effects of genotype (G), environment (E), and genotype × environment (G×E) on grain yield. Among eight agronomic characters, the principal component 1 (PC1) was always higher than the PC2. Considering G×E interaction, BM6 was the best genotype at all three locations in both years. Based on grain yield and stability performance, BM6 ranked first while the worst performing genotypes were BM1 and G10. Based on discrimination and representation, Gazipur was identified as an ideal environment for these mungbeans. Relationship between soil-plant analysis developments (SPAD) value was positive with yield but negative with MYMV severity. BM6, G1 and G2 were considered as promising sources of resistance for low disease score and stable response across the environments. The environment proved to have an influence on MYMV infection under natural infestation. A positive correlation was observed between disease score and the temperature under natural growing condition. PMID:25289012

  4. Water vapor effect on the HNO3 yield in the HO2 + NO reaction: experimental and theoretical evidence.

    PubMed

    Butkovskaya, Nadezhda; Rayez, Marie-Thérèse; Rayez, Jean-Claude; Kukui, Alexandre; Le Bras, Georges

    2009-10-22

    The influence of water vapor on the production of nitric acid in the gas-phase HO(2) + NO reaction was determined at 298 K and 200 Torr using a high-pressure turbulent flow reactor coupled with a chemical ionization mass spectrometer. The yield of HNO(3) was found to increase linearly with the increase of water concentration reaching an enhancement factor of about 8 at [H(2)O] = 4 x 10(17) molecules cm(-3) ( approximately 50% relative humidity). A rate constant value k(1bw) = 6 x 10(-13) cm(3) molecule(-1) s(-1) was derived for the reaction involving the HO(2)xH(2)O complex: HO(2)xH(2)O + NO --> HNO(3) (1bw), assuming that the water enhancement is due to this reaction. k(1bw) is approximately 40 times higher than the rate constant of the reaction HO(2) + NO --> HNO(3) (1b), at the same temperature and pressure. The experimental findings are corroborated by density functional theory (DFT) calculations performed on the H(2)O/HO(2)/NO system. The significance of this result for atmospheric chemistry and chemical amplifier instruments is briefly discussed. An appendix containing a detailed consideration of the possible contribution from the surface reactions in our previous studies of the title reaction and in the present one is included.

  5. Vibrational state-resolved differential cross sections for the D + H sub 2 yields DH + H reaction

    SciTech Connect

    Continetti, R.E.

    1989-11-01

    In this thesis, crossed-molecular-beams studies of the reaction D + H{sub 2} {yields} 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{sub 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{sub 3} potential energy surface, particularly the bending potential, is in order.

  6. Isotopic effects of fragment-yields in proton induced reactions on Sn isotopes

    NASA Astrophysics Data System (ADS)

    Balabekyan, A. R.; Danagulyan, A. S.; Drnoyan, J. R.; Demekhina, N. A.; Adam, J.; Kalinnikov, V. G.; Musulmanbekov, G.

    2004-04-01

    Analysis of isotopic characteristics of products related to the inclusive data measured using activation method in proton reactions at the energies 0.66, 1.0 and 8.1 GeV with separated tin isotopes is presented. Experimental results are systematized in form of cross section ratios for two targets of different isotope composition. Scaling behavior is observed for reactions with heavy residuals in the same manner as in light fragment production processes. These results are discussed in the light of relevant recent data. Finally, dependence of scaling parameters on the target neutron excess is observed.

  7. 1,3-Dipolar Cycloaddition Reactions of Azomethine Ylides with Carbonyl Dipolarophiles Yielding Oxazolidine Derivatives.

    PubMed

    Meyer, Adam G; Ryan, John H

    2016-07-23

    We provide a comprehensive account of the 1,3-dipolar cycloaddition reactions of azomethine ylides with carbonyl dipolarophiles. Many different azomethine ylides have been studied, including stabilized and non-stabilized ylides. Of the carbonyl dipolarophiles, aldehydes including formaldehyde are the most studied, although there are now examples of cycloadditions with ketones, ketenes and carboxyl systems, in particular isatoic anhydrides and phthalic anhydrides. Intramolecular cycloadditions with esters can also occur under certain circumstances. The oxazolidine cycloadducts undergo a range of reactions triggered by the ring-opening of the oxazolidine ring system.

  8. Process for chemical reaction of amino acids and amides yielding selective conversion products

    DOEpatents

    Holladay, Jonathan E.

    2006-05-23

    The invention relates to processes for converting amino acids and amides to desirable conversion products including pyrrolidines, pyrrolidinones, and other N-substituted products. L-glutamic acid and L-pyroglutamic acid provide general reaction pathways to numerous and valuable selective conversion products with varied potential industrial uses.

  9. Reduction of lunar basalt 70035: Oxygen yield and reaction product analysis

    NASA Technical Reports Server (NTRS)

    Gibson, Michael A.; Knudsen, Christian W.; Bruenemen, David J.; Allen, Carlton C.; Kanamori, Hiroshi; Mckay, David S.

    1994-01-01

    Oxygen production from a lunar rock has been experimentally demonstrated for the first time. A 10 g sample of high-Ti basalt 70035 was reduced with hydrogen in seven experiments at temperatures of 900-1050 C and pressures of 14.7-150 psia. In all experiments, water evolution began almost immediately and was essentially complete in tens of minutes. Oxygen yields ranged from 2.93 to 4.61% of the starting sample weight, and showed weak dependence on temperature and pressure. Analysis of the solid samples demonstrated total reduction of Fe(2+) in ilmenite and small degrees of reduction in olivine and pyroxene. Ti O2 was also partially reduced to one or more suboxides. Data from these experiments provide a basis for predicting the yield of oxygen from lunar basalt as well as new constraints on natural reduction in the lunar regolith.

  10. A Photonuclear Reaction Model Based on IQMD in Intermediate-Energy Region

    NASA Astrophysics Data System (ADS)

    Huang, Bo-Song; Ma, Yu-Gang

    2017-07-01

    Not Available Supported by the National Natural Science Foundation of China under Grant Nos 11421505 and 11220101005, the National Basic Research Program of China under Grant No 2014CB845401, and the Strategic Priority Research Program of the Chinese Academy of Sciences under Grant No XDB16.

  11. Laboratory measurement of secondary pollutant yields from ozone reaction with HVAC filters.

    SciTech Connect

    Destaillats, Hugo; Chen, Wenhao; Apte, Michael; Li, Nuan; Spears, Michael; Almosni, Jérémie; Zhang, Jianshun; Fisk, William J.

    2009-09-09

    We used Proton Transfer Reaction - Mass Spectrometry (PTR-MS) and conventional sampling methods to monitor and identify trace level organic pollutants formed in heterogeneous reactions between ozone and HVAC filters in real time. Experiments were carried out using a bench-scale flow tube reactor operating with dry air and humidified air (50% RH), at realistically high ozone concentrations (150 ppbv). We explored different filter media (i.e., fiberglass and cotton/polyester blends) and different particle loadings (i.e., clean filter and filters loaded with particles for 3 months at the Lawrence Berkeley National Laboratory and the Port of Oakland, CA). Detailed emission dynamics of very low levels of certain organic pollutants from filter media upon ozone exposure in the presence of moisture have been obtained and analyzed.

  12. The reaction of fullerene C(60) with phthalazine: the mechanochemical solid-state reaction yielding a new C(60) dimer versus the liquid-phase reaction affording an open-cage fullerene.

    PubMed

    Murata, Y; Kato, N; Komatsu, K

    2001-11-02

    The reaction of fullerene C(60) with phthalazine was studied both in solution and in the solid state using the high-speed vibration-milling technique. The reaction in solution gave open-cage fullerene derivative 1 in 44% yield by a one-pot reaction. In contrast, the solid-state reaction afforded dimeric derivative 2 as the sole product. Dimeric derivative 2 was found to undergo intramolecular [2 + 2] cycloaddtion between the two C(60) cages located in close proximity to give a new C(60) dimer 6 in quantitative yield. The structures of these new derivatives of C(60) were determined by spectroscopic methods, and the electrochemical behavior of 2 and 6 was also studied.

  13. Termolecular rate coefficients and the standard enthalpy of the reaction OH + CS sub 2 + M yields HOCS sub 2 + M

    SciTech Connect

    Diau, E.W.; Lee, Yuanpern )

    1991-01-10

    The reaction between OH and CS{sub 2} has been studied in He in the pressure range 9-270 Torr and the temperature range 249-298 K by means of the laser-photolysis/laser-induced-fluorescence technique. Analysis of the temporal profile of (OH) yielded the rate coefficients for the forward and reverse reactions for the equilibrium OH + CS{sub 2} + M {r equilibrium} HOCS{sub 2} + M and hence the equilibrium constant. Study of the temperature dependence of the equilibrium constant leads to the standard enthalpy of reaction {Delta}H{degree} = {minus}43.9 {plus minus} 5.3 kJ mol{sup {minus}1} and the standard entropy of reaction {Delta}S{degree} = {minus}102.9 {plus minus} 15.4 J K{sup {minus}1} mol{sup {minus}1}. The termolecular rate coefficients for the forward reaction at 298 K have also been determined to be k{sub He}{sup III} = (5.04 {plus minus} 1.01) {times} 10{sup {minus}32} cm{sup 6} molecule{sup {minus}2} s{sup {minus}1} and k{sub CS{sub 2}}{sup III} = (4.28 {plus minus} 1.07) {times} 10{sup {minus}31} cm{sup 6} molecule{sup {minus}2} s{sup {minus}1}.

  14. An investigation of oxidation products and SOA yields from OH + pesticide reactions

    NASA Astrophysics Data System (ADS)

    Murschell, T.; Friedman, B.; Link, M.; Farmer, D.

    2016-12-01

    Pesticides are used globally in agricultural and residential areas. After application and/or volatilization from a surface, these compounds can be transported over long distances in the atmosphere. However, their chemical fate, including oxidation and gas-particle partitioning in the atmosphere, is not well understood. We present gas and particle measurements of oxidation products from pesticide + OH reactions using a dynamic solution injection system coupled to an Oxidative Flow Reactor. Products were detected with a High Resolution Time of Flight Iodide Chemical Mass Spectrometer (HR-ToF-CIMS) and a Size Mobility Particle Scanner (SMPS). The OFR allows pesticides to react with variable OH radical exposures, ranging from the equivalent of one day to a full week of atmospheric oxidative aging. In this work, we explore pesticide oxidation products from reaction with OH and ozone, and compare those products to photolysis reactions. Pesticides of similar chemical structures were explored, including acetochlor / metolachlor and permethrin / cypermethrin, to explore mechanistic differences. We present chemical parameters including average product oxidation state, average oxygen to carbon ratio, and potential secondary organic aerosol formation for each of these compounds.

  15. Neutron Energy Spectra and Yields from the 7Li(p,n) Reaction for Nuclear Astrophysics

    NASA Astrophysics Data System (ADS)

    Tessler, M.; Friedman, M.; Schmidt, S.; Shor, A.; Berkovits, D.; Cohen, D.; Feinberg, G.; Fiebiger, S.; Krása, A.; Paul, M.; Plag, R.; Plompen, A.; Reifarth, R.

    2016-01-01

    Neutrons produced by the 7Li(p, n)7Be reaction close to threshold are widely used to measure the cross section of s-process nucleosynthesis reactions. While experiments have been performed so far with Van de Graaff accelerators, the use of RF accelerators with higher intensities is planned to enable investigations on radioactive isotopes. In parallel, high-power Li targets for the production of high-intensity neutrons at stellar energies are developed at Goethe University (Frankfurt, Germany) and SARAF (Soreq NRC, Israel). However, such setups pose severe challenges for the measurement of the proton beam intensity or the neutron fluence. In order to develop appropriate methods, we studied in detail the neutron energy distribution and intensity produced by the thick-target 7Li(p,n)7Be reaction and compared them to state-of- the-art simulation codes. Measurements were performed with the bunched and chopped proton beam at the Van de Graaff facility of the Institute for Reference Materials and Measurements (IRMM) using the time-of-flight (TOF) technique with thin (1/8") and thick (1") detectors. The importance of detailed simulations of the detector structure and geometry for the conversion of TOF to a neutron energy is stressed. The measured neutron spectra are consistent with those previously reported and agree well with Monte Carlo simulations that include experimentally determined 7Li(p,n) cross sections, two-body kinematics and proton energy loss in the Li-target.

  16. Determination of the Rate Coefficients of the SO2 plus O plus M yields SO3 plus M Reaction

    NASA Technical Reports Server (NTRS)

    Hwang, S. M.; Cooke, J. A.; De Witt, K. J.; Rabinowitz, M. J.

    2010-01-01

    Rate coefficients of the title reaction R(sub 31) (SO2 +O+M yields SO3 +M) and R(sub 56) (SO2 + HO2 yields SO3 +OH), important in the conversion of S(IV) to S(VI),were obtained at T =970-1150 K and rho (sub ave) = 16.2 micro mol/cubic cm behind reflected shock waves by a perturbation method. Shock-heated H2/ O2/Ar mixtures were perturbed by adding small amounts of SO2 (1%, 2%, and 3%) and the OH temporal profiles were then measured using laser absorption spectroscopy. Reaction rate coefficients were elucidated by matching the characteristic reaction times acquired from the individual experimental absorption profiles via simultaneous optimization of k(sub 31) and k(sub 56) values in the reaction modeling (for satisfactory matches to the observed characteristic times, it was necessary to take into account R(sub 56)). In the experimental conditions of this study, R(sub 31) is in the low-pressure limit. The rate coefficient expressions fitted using the combined data of this study and the previous experimental results are k(sub 31,0)/[Ar] = 2.9 10(exp 35) T(exp ?6.0) exp(?4780 K/T ) + 6.1 10(exp 24) T(exp ?3.0) exp(?1980 K/T ) cm(sup 6) mol(exp ?2)/ s at T = 300-2500 K; k(sub 56) = 1.36 10(exp 11) exp(?3420 K/T ) cm(exp 3)/mol/s at T = 970-1150 K. Computer simulations of typical aircraft engine environments, using the reaction mechanism with the above k(sub 31,0) and k(sub 56) expressions, gave the maximum S(IV) to S(VI) conversion yield of ca. 3.5% and 2.5% for the constant density and constant pressure flow condition, respectively. Moreover, maximum conversions occur at rather higher temperatures (?1200 K) than that where the maximum k(sub 31,0) value is located (approximately 800 K). This is because the conversion yield is dependent upon not only the k(sup 31,0) and k(sup 56) values (production flux) but also the availability of H, O, and HO2 in the system (consumption flux).

  17. Photonuclear interactions of ultrahigh energy cosmic rays and their astrophysical consequences

    NASA Technical Reports Server (NTRS)

    Puget, J. L.; Stecker, F. W.; Bredekamp, J. H.

    1976-01-01

    Results are presented for detailed Monte Carlo calculations of the interaction histories of ultrahigh-energy cosmic-ray nuclei with intergalactic radiation fields, using improved estimates of these fields and empirical determinations of photonuclear cross sections, including multinuclear disintegrations for nuclei up to Fe-56. Intergalactic and galactic energy-loss rates and nucleon-loss rates for nuclei up to Fe-56 are also given. Astrophysical implications are discussed in terms of expected features in the cosmic-ray spectrum between 10 to the 18th and 10 to the 21st power eV for the universal and supercluster origin hypotheses. The results of these calculations indicate that ultrahigh-energy cosmic rays cannot be universal in origin regardless of whether they are protons or nuclei. Both the supercluster and galactic origin hypotheses, however, are possible regardless of nuclear composition.

  18. Photonuclear interactions of ultrahigh energy cosmic rays and their astrophysical consequences

    NASA Technical Reports Server (NTRS)

    Puget, J. L.; Stecker, F. W.; Bredekamp, J. H.

    1975-01-01

    Results of detailed Monte Carlo calculations of the interaction histories of ultrahigh energy cosmic-ray nuclei with intergalactic radiation fields are presented. Estimates of these fields and empirical determinations of photonuclear cross sections are used, including multinuclear disintegrations for nuclei up to 56Fe. Intergalactic and galactic energy loss rates and nucleon loss rates for nuclei up to 56Fe are also given. Astrophysical implications are discussed in terms of expected features in the cosmic-ray spectrum between quintillion and sextillion eV for the universal and supercluster origin hypotheses. The results of these calculations indicate that ultrahigh energy cosmic rays cannot be universal in origin regardless of whether they are protons or nuclei. Both the supercluster and galactic origin hypotheses, however, are possible regardless of nuclear composition.

  19. Neutron, proton, and photonuclear cross-sections for radiation therapy and radiation protection.

    PubMed

    Chadwick, M B

    1998-12-01

    I review recent work at Los Alamos undertaken to evaluate neutron, proton, and photonuclear cross-sections up to 150 MeV (to 250 MeV for protons), based on experimental data and nuclear model calculations. These data are represented in the ENDF format and can be used in computer codes to simulate radiation transport. They permit calculations of absorbed dose in the body from therapy beams, and through use of kerma coefficients allow absorbed dose to be estimated for a given neutron energy distribution. In radiation protection, these data can be used to determine shielding requirements in accelerator environments and to calculate neutron, proton, gamma-ray, and radionuclide production. Illustrative comparisons of the evaluated cross-section and kerma coefficient data with measurements are given.

  20. Observable in the reversible reaction gamma + d yields n + p. [photodisintegration of deuteron

    NASA Technical Reports Server (NTRS)

    Rustgi, M. L.; Vyas, R.; Nunemaker, R. D.

    1984-01-01

    Calculations are presented on the effect of the two-body charge and current density effects on the observables in the photodisintegration of a deuteron. The computations are performed in a cartesian coordinate system, initially for gamma rays plane-polarized in the x-direction. Unpolarized photons are treated with an incoherent superposition of transition amplitudes for gamma rays polarized in the x- and y- directions. Account is taken of recoil and interaction energies after an initial state is defined. Consideration is focused on the cross section, polarization, and asymmetry of the reaction at low and medium energy incident gamma rays.

  1. An enolate-mediated organocatalytic azide-ketone [3+2]-cycloaddition reaction: regioselective high-yielding synthesis of fully decorated 1,2,3-triazoles.

    PubMed

    Shashank, Adluri B; Karthik, S; Madhavachary, R; Ramachary, Dhevalapally B

    2014-12-15

    An enolate-mediated organocatalytic azide-ketone [3+2]-cycloaddition (OrgAKC) reaction of a variety of enolizable arylacetones and deoxybenzoins with aryl azides was developed for the synthesis of fully decorated 1,4-diaryl-5-methyl(alkyl)-1,2,3-triazoles in excellent yields with high regioselectivity at 25 °C for 0.5-6 h. This reaction has an excellent outcome with reference to reaction rate, yield, regioselectivity, operation simplicity, and availability of substrates and catalyst. This reaction has advantages over the previously known metal-mediated reactions.

  2. Yield ratios and directed flows of light fragments from reactions induced by neutron-rich nuclei at intermediate energy

    NASA Astrophysics Data System (ADS)

    Yan, Ting-Zhi; Li, Long-Long; Wang, Rui-Feng; Yan, Ting-Feng

    2017-04-01

    The yield ratios of neutron/proton and 3H/3He and the directed flow per nucleon for these projectile-like fragments at large impact parameters are studied for 50Ca + 40Ca and 50Cr + 40Ca for comparison at 50 MeV/u using the isospin-dependent quantum molecular dynamics (IQMD) model. It is found that the yield ratios and the directed flows per nucleon are different for reactions induced by the neutron-rich nucleus 50Ca and the stable isobaric nucleus 50Cr, and depend on the hardness of the EOS. The ratios of neutron/proton and 3H/3He and the difference of directed flow per nucleon of neutron-proton are suggested to be possible observables to investigate the isospin effects. Supported by National Natural Science Foundation of China (11405025)

  3. A proton activation diagnostic to measure D-3He reaction yields

    NASA Astrophysics Data System (ADS)

    Lierzer, J. R.; Wenzel, K. W.; Petrasso, R. D.; Lo, D. H.; Coleman, J. W.; Li, C. K.; Hsieh, E.; Bernat, T.

    1992-10-01

    We are developing activation diagnostics for monitoring energetic charged-particle fluxes in space and laboratory plasmas. More immediately, we plan to use activation to measure the time-integrated proton flux from D-3He fusion reactions in Alcator C-MOD, providing a measure of the time-averaged D-3He fusion rate. We demonstrated the technique's feasibility by inducing significant gamma activity in a titanium sample exposed to D-3He protons created in our Cockcroft-Walton generator. The titanium target received a fluence of 5.5×109 protons at 14.7 MeV (of order what a 3-cm2 target should receive from one shot in Alcator C-MOD) and became activated by the48Ti(p,n)48V reaction. The activity's spectrum from a high-purity germanium (HPGe) detector showed the characteristic 0.984- and 1.312-MeV lines of 48V. The measured activity agreed reasonably well with theory. An absence of activity at those energies before D-3He activation eliminated background or D-D product-induced activity as the gamma source. We intend to repeat the experiment with a chromium target to evaluate that material's diagnostic potential.

  4. Coulomb dissociation and momentum distributions for [sup 11]Li [yields] [sup 9]Li + n + n breakup reactions

    SciTech Connect

    Esbensen, H.

    1993-01-01

    Momentum distributions for the [sup 11]Li [yields] [sup 9]Li+n+n breakup reaction, generated by Coulomb dipole excitations, axe calculated in a 3-body model for [sup 11]Li. The relative momentum distribution of the two neutrons is in good agreement with recent 3-body coincidence measurements but the momentum distribution for the [sup 9]Li recoil and the decay energy spectrum are much narrower than observed. These discrepancies may be due to higher order dynamical effects which have been ignored.

  5. Coulomb dissociation and momentum distributions for {sup 11}Li {yields} {sup 9}Li + n + n breakup reactions

    SciTech Connect

    Esbensen, H.

    1993-03-01

    Momentum distributions for the {sup 11}Li {yields} {sup 9}Li+n+n breakup reaction, generated by Coulomb dipole excitations, axe calculated in a 3-body model for {sup 11}Li. The relative momentum distribution of the two neutrons is in good agreement with recent 3-body coincidence measurements but the momentum distribution for the {sup 9}Li recoil and the decay energy spectrum are much narrower than observed. These discrepancies may be due to higher order dynamical effects which have been ignored.

  6. Kinetics and product yields of the acetyl peroxy + HO2 radical reaction studied by photoionization mass spectrometry

    NASA Astrophysics Data System (ADS)

    Dodson, L. G.; Shen, L.; Savee, J. D.; Eddingsaas, N. C.; Welz, O.; Taatjes, C. A.; Osborn, D. L.; Sander, S. P.; Okumura, M.

    2013-12-01

    The acetyl peroxy radical (CH3C(O)O2) is a key intermediate in the oxidation of carbonyl-containing hydrocarbons in the troposphere. Reaction of acetyl peroxy radicals with HO2 has been suggested as a source of OH radicals in low-NOx environments. Previous work on this reaction observed only two product channels forming (1) peracetic acid and (2) acetic acid. Recent experiments have shown that there is a third channel that generates the radicals OH and acetoxy: CH3C(O)O2 + HO2 → (1) CH3C(O)OOH + O2 (2) CH3C(O)OH + O3 (3) CH3C(O)O + O2 + OH This last pathway to OH formation would then contribute to the apparent isoprene OH recycling suggested by discrepancies between atmospheric models and field observations of OH. There have, however, been significant disagreements among experiments on the yield of OH from reaction of acetyl peroxy radicals with HO2. We report our preliminary studies of acetyl peroxy self-reaction and its reaction with HO2 at 298 K and 8 Torr. Experiments were conducted at the Advanced Light Source synchrotron at the Lawerence Berkeley National Laboratory using tunable VUV ionizing radiation coupled to the Sandia National Laboratory pulsed-laser-photolysis multiplexed photoionization mass spectrometer to detect the time- and isomer-resolved formation of radical intermediates and products. From these results, we report new branching fractions of the three product channels in the acetyl peroxy + HO2 radical reaction.

  7. Multiple exciton generation for photoelectrochemical hydrogen evolution reactions with quantum yields exceeding 100%

    NASA Astrophysics Data System (ADS)

    Yan, Yong; Crisp, Ryan W.; Gu, Jing; Chernomordik, Boris D.; Pach, Gregory F.; Marshall, Ashley R.; Turner, John A.; Beard, Matthew C.

    2017-04-01

    Multiple exciton generation (MEG) in quantum dots (QDs) has the potential to greatly increase the power conversion efficiency in solar cells and in solar-fuel production. During the MEG process, two electron-hole pairs (excitons) are created from the absorption of one high-energy photon, bypassing hot-carrier cooling via phonon emission. Here we demonstrate that extra carriers produced via MEG can be used to drive a chemical reaction with quantum efficiency above 100%. We developed a lead sulfide (PbS) QD photoelectrochemical cell that is able to drive hydrogen evolution from aqueous Na2S solution with a peak external quantum efficiency exceeding 100%. QD photoelectrodes that were measured all demonstrated MEG when the incident photon energy was larger than 2.7 times the bandgap energy. Our results demonstrate a new direction in exploring high-efficiency approaches to solar fuels.

  8. Multiple exciton generation for photoelectrochemical hydrogen evolution reactions with quantum yields exceeding 100%

    DOE PAGES

    Yan, Yong; Crisp, Ryan W.; Gu, Jing; ...

    2017-04-03

    Multiple exciton generation (MEG) in quantum dots (QDs) has the potential to greatly increase the power conversion efficiency in solar cells and in solar-fuel production. During the MEG process, two electron-hole pairs (excitons) are created from the absorption of one high-energy photon, bypassing hot-carrier cooling via phonon emission. Here we demonstrate that extra carriers produced via MEG can be used to drive a chemical reaction with quantum efficiency above 100%. We developed a lead sulfide (PbS) QD photoelectrochemical cell that is able to drive hydrogen evolution from aqueous Na2S solution with a peak external quantum efficiency exceeding 100%. QD photoelectrodesmore » that were measured all demonstrated MEG when the incident photon energy was larger than 2.7 times the bandgap energy. Finally, our results demonstrate a new direction in exploring high-efficiency approaches to solar fuels.« less

  9. Comparative judgments of symbolic and non-symbolic stimuli yield different patterns of reaction times.

    PubMed

    Leibovich, Tali; Ashkenazi, Sarit; Rubinsten, Orly; Henik, Avishai

    2013-10-01

    Are different magnitudes, such as Arabic numerals, length and area, processed by the same system? Answering this question can shed light on the building blocks of our mathematical abilities. A shared representation theory suggested that discriminability of all magnitudes complies with Weber's law. The current work examined this suggestion. We employed comparative judgment tasks to investigate different types of comparisons - conceptual comparison of numbers, physical comparison of numbers and physical comparison of different shapes. We used 8 different size ratios and plotted reaction time as a function of these ratios. Our findings suggest that the relationship between discriminability and size ratio is not always linear, as previously suggested; rather, it is modulated by the type of comparison and the type of stimuli. Hence, we suggest that the representation of magnitude is not as rigid as previously suggested; it changes as a function of task demands and familiarity with the compared stimuli. © 2013.

  10. Kinetics of the reaction OH + HO2 yields H2O + O2 at 296 K

    NASA Technical Reports Server (NTRS)

    Sridharan, U. C.; Kaufman, F.; Qiu, L. X.

    1981-01-01

    The rate constant of the title reaction was measured in a discharge-flow reactor by addition of excess HO2 from a movable double injector to a gas stream containing small concentrations of OH. The concentration of OH was measured by laser-induced fluorescence, HO2 by conversion to OH, and H and O by vacuum-UV resonance fluorescence. Five sets of experiments, each with different excess concentration of HO2, gave an average rate constant of (7.5 + or - 1.2) x 10 to the -11th cu cm/s where the error limits (single sigma) include uncertainties of all experimental parameters. This result is compared with other findings and is discussed in terms of its importance in stratospheric chemistry and in rate theory.

  11. Fission Cross Sections and Fission-Fragment Mass Yields via the Surrogate Reaction Method

    SciTech Connect

    Jurado, B.; Kessedjian, G.; Aiche, M.; Barreau, G.; Bidaud, A.; Czajkowski, S.; Dassie, D.; Haas, B.; Mathieu, L.; Osmanov, B.; Ahmad, I.

    2008-04-17

    The surrogate reaction method is a powerful tool to infer neutron-induced data of short-lived nuclei. After a short overview of the experimental techniques employed in the present surrogate experiments, we will concentrate on a recent measurement to determine neutron-induced fission cross sections for the actinides {sup 242,243}Cm and {sup 241}Am. The latest direct neutron-induced measurement for the {sup 243}Cm fission cross section is questioned by our results, since there are differences of more than 60% in the 0.7 to 7 MeV neutron energy range. Our experimental set-up has also enabled us to measure for the first time the fission fragment ''pseudo-mass'' distributions of {sup 243,244,245}Cm and {sup 242}Am compound nuclei in the excitation energy range from a few MeV to about 25 MeV.

  12. An investigation of the role of water on retrograde/condensation reactions and enhanced liquefaction yields

    SciTech Connect

    Miknis, F.P.

    1992-07-01

    The overall objectives of this work are to conduct research that will provide the basis for an improved liquefaction process, and to facilitate our understanding of those processes that occur when coals are initially dissolved. Changes in coal structure that occur during coal drying and steam pretreatments will be measured in order to determine what effect water has on retrograde/condensation reactions, and to determine the mechanism by which water enhances coal reactivity toward liquefaction. Different methods for coal drying will be investigated to determine if drying can be accomplished without destroying coal reactivity toward liquefaction, thereby making coal drying a relatively economical and efficient method for coal pretreatment. Coal drying methods will include conventional thermal drying, microwave drying, and chemical drying at low temperature. State-of-the-art solid-state nuclear magnetic resonance (NMR) techniques using combined rotation and multiple pulse spectroscopy (CRAMPS) and cross polarization with magic-angle spinning (CP/MAS) will be employed: (1) to measures changes in coal structure brought about by the different methods of drying and by low temperature oxidation, and (2) to obtain direct measurements of changes in the aromatic hydrogen-to-carbon ratio of the solid/semi-solid material formed or remaining during pretreatment and the initial stages of liquefaction. The aromatic hydrogen-to-carbon ratios are difficult, if not impossible, to measure without the use of solid-state NMR, and as a result this ratio will be used to monitor the retrograde/condensation reactions that take place during coal liquefaction in the presence and absence of steam and various inert gases.

  13. Effect of Coatings on the Uptake Rate and HONO Yield in Heterogeneous Reaction of Soot with NO2

    NASA Astrophysics Data System (ADS)

    Cruz-Quiñones, M.; Khalizov, A. F.; Zhang, R.

    2009-12-01

    Heterogeneous reaction of nitrogen dioxide on carbon soot aerosols has been suggested as a possible source of nighttime nitrous acid (HONO) in atmosphere boundary layer. Available laboratory data show significant variability in the measured reaction probabilities and HONO yields, making it difficult to asses the atmospheric significance of this process. Moreover, little is known of how aging of soot aerosol through internal mixing with other atmospheric trace constituents will affect the heterogeneous reactivity and HONO production. In this work, the heterogeneous reaction of NO2 on fresh and aged soot films leading to HONO formation was studied through a series of kinetic uptake experiments and HONO yield measurements. Soot samples were prepared by incomplete combustion of propane and kerosene fuels under lean and rich flame conditions. Experiments were performed in a low-pressure, fast-flow reactor coupled to a chemical ionization mass spectrometer (CIMS), using atmospheric-level NO2 concentrations. Heterogeneous uptake coefficients, γ(geom) and γ(BET), were calculated using geometric and internal BET soot surface areas, respectively. The uptake coefficient and the HONO yield depend on the type of fuel and combustion regime and are the highest for soot samples prepared using rich kerosene flame. Although, the internal surface area of soot measured by BET method is a factor of 50 to 500 larger than the geometric surface area, only the top soot layers are involved in heterogeneous reaction with NO2 as follows from the observed weak dependence of γ(geom) and decrease in γ(BET) with increasing sample mass. Heating the soot samples before exposure to NO2 increases the BET surface area, the HONO yield, and the NO2 uptake coefficient due to the removal of the organic fraction from the soot backbone that unblocks active sites and makes them accessible for physical adsorption and chemical reactions. Our results support the oxidation-reduction mechanism involving

  14. Future prospects of nuclear reactions induced by gamma-ray beams at ELI-NP

    NASA Astrophysics Data System (ADS)

    Filipescu, D.; Balabanski, D. L.; Camera, F.; Gheorghe, I.; Ghita, D.; Glodariu, T.; Kaur, J.; Ur, C. A.; Utsunomiya, H.; Varlamov, V. V.

    2017-01-01

    The future prospects of photonuclear reactions studies at the new Extreme Light Infrastructure—Nuclear Physics (ELI-NP) facility are discussed in view of the pursuit of investigating the electromagnetic response of nuclei using γ-ray beams of unprecedented energy resolution and intensity characteristics. We present here the features of the γ-ray beam source, the emerging ELI-NP experimental program involving photonuclear reactions cross section measurements and spectroscopy and angular measurements of γ-rays and neutrons along with the detection arrays currently under implementation.

  15. Anomalies in the Charge Yields of Fission Fragments from the ^{238}U(n,f) Reaction.

    PubMed

    Wilson, J N; Lebois, M; Qi, L; Amador-Celdran, P; Bleuel, D; Briz, J A; Carroll, R; Catford, W; De Witte, H; Doherty, D T; Eloirdi, R; Georgiev, G; Gottardo, A; Goasduff, A; Hadyńska-Klęk, K; Hauschild, K; Hess, H; Ingeberg, V; Konstantinopoulos, T; Ljungvall, J; Lopez-Martens, A; Lorusso, G; Lozeva, R; Lutter, R; Marini, P; Matea, I; Materna, T; Mathieu, L; Oberstedt, A; Oberstedt, S; Panebianco, S; Podolyák, Zs; Porta, A; Regan, P H; Reiter, P; Rezynkina, K; Rose, S J; Sahin, E; Seidlitz, M; Serot, O; Shearman, R; Siebeck, B; Siem, S; Smith, A G; Tveten, G M; Verney, D; Warr, N; Zeiser, F; Zielinska, M

    2017-06-02

    Fast-neutron-induced fission of ^{238}U at an energy just above the fission threshold is studied with a novel technique which involves the coupling of a high-efficiency γ-ray spectrometer (MINIBALL) to an inverse-kinematics neutron source (LICORNE) to extract charge yields of fission fragments via γ-γ coincidence spectroscopy. Experimental data and fission models are compared and found to be in reasonable agreement for many nuclei; however, significant discrepancies of up to 600% are observed, particularly for isotopes of Sn and Mo. This indicates that these models significantly overestimate the standard 1 fission mode and suggests that spherical shell effects in the nascent fission fragments are less important for low-energy fast-neutron-induced fission than for thermal neutron-induced fission. This has consequences for understanding and modeling the fission process, for experimental nuclear structure studies of the most neutron-rich nuclei, for future energy applications (e.g., Generation IV reactors which use fast-neutron spectra), and for the reactor antineutrino anomaly.

  16. Anomalies in the Charge Yields of Fission Fragments from the 238U (n ,f ) Reaction

    NASA Astrophysics Data System (ADS)

    Wilson, J. N.; Lebois, M.; Qi, L.; Amador-Celdran, P.; Bleuel, D.; Briz, J. A.; Carroll, R.; Catford, W.; De Witte, H.; Doherty, D. T.; Eloirdi, R.; Georgiev, G.; Gottardo, A.; Goasduff, A.; Hadyńska-Klek, K.; Hauschild, K.; Hess, H.; Ingeberg, V.; Konstantinopoulos, T.; Ljungvall, J.; Lopez-Martens, A.; Lorusso, G.; Lozeva, R.; Lutter, R.; Marini, P.; Matea, I.; Materna, T.; Mathieu, L.; Oberstedt, A.; Oberstedt, S.; Panebianco, S.; Podolyák, Zs.; Porta, A.; Regan, P. H.; Reiter, P.; Rezynkina, K.; Rose, S. J.; Sahin, E.; Seidlitz, M.; Serot, O.; Shearman, R.; Siebeck, B.; Siem, S.; Smith, A. G.; Tveten, G. M.; Verney, D.; Warr, N.; Zeiser, F.; Zielinska, M.

    2017-06-01

    Fast-neutron-induced fission of 238U at an energy just above the fission threshold is studied with a novel technique which involves the coupling of a high-efficiency γ -ray spectrometer (MINIBALL) to an inverse-kinematics neutron source (LICORNE) to extract charge yields of fission fragments via γ -γ coincidence spectroscopy. Experimental data and fission models are compared and found to be in reasonable agreement for many nuclei; however, significant discrepancies of up to 600% are observed, particularly for isotopes of Sn and Mo. This indicates that these models significantly overestimate the standard 1 fission mode and suggests that spherical shell effects in the nascent fission fragments are less important for low-energy fast-neutron-induced fission than for thermal neutron-induced fission. This has consequences for understanding and modeling the fission process, for experimental nuclear structure studies of the most neutron-rich nuclei, for future energy applications (e.g., Generation IV reactors which use fast-neutron spectra), and for the reactor antineutrino anomaly.

  17. Anomalies in the Charge Yields of Fission Fragments from the U(n,f)238 Reaction

    DOE PAGES

    Wilson, J. N.; Lebois, M.; Qi, L.; ...

    2017-06-01

    Fast-neutron-induced fission of 238U at an energy just above the fission threshold is studied with a novel technique which involves the coupling of a high-efficiency γ-ray spectrometer (MINIBALL) to an inverse-kinematics neutron source (LICORNE) to extract charge yields of fission fragments via γ-γ coincidence spectroscopy. Experimental data and fission models are compared and found to be in reasonable agreement for many nuclei; however, significant discrepancies of up to 600% are observed, particularly for isotopes of Sn and Mo. This indicates that these models significantly overestimate the standard 1 fission mode and suggests that spherical shell effects in the nascent fissionmore » fragments are less important for low-energy fast-neutron-induced fission than for thermal neutron-induced fission. Finally, this has consequences for understanding and modeling the fission process, for experimental nuclear structure studies of the most neutron-rich nuclei, for future energy applications (e.g., Generation IV reactors which use fast-neutron spectra), and for the reactor antineutrino anomaly.« less

  18. Search for {theta}{sup ++} Pentaquarks in the Exclusive Reaction {gamma}p{yields}K{sup +}K{sup -}p

    SciTech Connect

    Kubarovsky, V.; Battaglieri, M.; Vita, R. De; Anghinolfi, M.; Ricco, G.; Ripani, M.; Taiuti, M.; Goett, J.; Stoler, P.; Cummings, J. P.; Li, Ji; Guo, L.; Weygand, D. P.; Avakian, H.; Boiarinov, S.; Brooks, W. K.; Burkert, V. D.; Degtyarenko, P. V.; Deur, A.; Egiyan, H.

    2006-09-08

    The reaction {gamma}p{yields}pK{sup +}K{sup -} was studied at Jefferson Lab with photon energies from 1.8 to 3.8 GeV using a tagged photon beam. The goal was to search for a {theta}{sup ++} pentaquark, a narrow, doubly charged baryon state having strangeness S=+1 and isospin I=1, in the pK{sup +} invariant mass spectrum. No statistically significant evidence of a {theta}{sup ++} was found. Upper limits on the total and differential cross section for the reaction {gamma}p{yields}K{sup -}{theta}{sup ++} were obtained in the mass range from 1.5 to 2.0 GeV/c{sup 2}, with an upper limit for a narrow resonance with a mass M{sub {theta}{sup ++}}=1.54 GeV/c{sup 2} of about 0.15 nb, 95% C.L.. This result places a stringent upper limit on the {theta}{sup ++} width {gamma}{sub {theta}{sup ++}}<0.1 MeV/c{sup 2}.

  19. Faster Synthesis of Beta-Diketonate Ternary Europium Complexes: Elapsed Times & Reaction Yields

    PubMed Central

    Lima, Nathalia B. D.; Silva, Anderson I. S.; Gerson, P. C.; Gonçalves, Simone M. C.; Simas, Alfredo M.

    2015-01-01

    β-diketonates are customary bidentate ligands in highly luminescent ternary europium complexes, such as Eu(β-diketonate)3(L)2, where L stands for a nonionic ligand. Usually, the syntheses of these complexes start by adding, to an europium salt such as EuCl3(H2O)6, three equivalents of β-diketonate ligands to form the complexes Eu(β-diketonate)3(H2O)2. The nonionic ligands are subsequently added to form the target complexes Eu(β-diketonate)3(L)2. However, the Eu(β-diketonate)3(H2O)2 intermediates are frequently both difficult and slow to purify by recrystallization, a step which usually takes a long time, varying from days to several weeks, depending on the chosen β-diketonate. In this article, we advance a novel synthetic technique which does not use Eu(β-diketonate)3(H2O)2 as an intermediate. Instead, we start by adding 4 equivalents of a monodentate nonionic ligand L straight to EuCl3(H2O)6 to form a new intermediate: EuCl3(L)4(H2O)n, with n being either 3 or 4. The advantage is that these intermediates can now be easily, quickly, and efficiently purified. The β-diketonates are then carefully added to this intermediate to form the target complexes Eu(β-diketonate)3(L)2. For the cases studied, the 20-day average elapsed time reduced to 10 days for the faster synthesis, together with an improvement in the overall yield from 42% to 69%. PMID:26710103

  20. Faster Synthesis of Beta-Diketonate Ternary Europium Complexes: Elapsed Times & Reaction Yields.

    PubMed

    Lima, Nathalia B D; Silva, Anderson I S; Gerson, P C; Gonçalves, Simone M C; Simas, Alfredo M

    2015-01-01

    β-diketonates are customary bidentate ligands in highly luminescent ternary europium complexes, such as Eu(β-diketonate)3(L)2, where L stands for a nonionic ligand. Usually, the syntheses of these complexes start by adding, to an europium salt such as EuCl3(H2O)6, three equivalents of β-diketonate ligands to form the complexes Eu(β-diketonate)3(H2O)2. The nonionic ligands are subsequently added to form the target complexes Eu(β-diketonate)3(L)2. However, the Eu(β-diketonate)3(H2O)2 intermediates are frequently both difficult and slow to purify by recrystallization, a step which usually takes a long time, varying from days to several weeks, depending on the chosen β-diketonate. In this article, we advance a novel synthetic technique which does not use Eu(β-diketonate)3(H2O)2 as an intermediate. Instead, we start by adding 4 equivalents of a monodentate nonionic ligand L straight to EuCl3(H2O)6 to form a new intermediate: EuCl3(L)4(H2O)n, with n being either 3 or 4. The advantage is that these intermediates can now be easily, quickly, and efficiently purified. The β-diketonates are then carefully added to this intermediate to form the target complexes Eu(β-diketonate)3(L)2. For the cases studied, the 20-day average elapsed time reduced to 10 days for the faster synthesis, together with an improvement in the overall yield from 42% to 69%.

  1. Pressure and temperature dependence of the reaction NO2 + NO3 + M yields N2O5 + M

    NASA Technical Reports Server (NTRS)

    Kircher, C. C.; Margitan, J. J.; Sander, S. P.

    1984-01-01

    The pressure and temperature dependences of the reaction NO2 + NO3 + M which yields N2O5 + M are investigated by using the flash photolysis/visible absorption technique in which the pseudo-first-order decay of NO3 is monitored as a function of total pressure (20-700 torr), diluent gas (M = He and N2), and temperature (236-358 K). The reaction is found to be in the falloff region in the 20-700 torr pressure range with collision efficiencies increasing in the order He less than N2. Falloff parameters are obtained by fitting the experimental data to the falloff equation of Troe and co-workers. The expression for k1(N2 concentration, T) is obtained and compared with the evaluations presented in the NASA (DeMore, 1983) and CODATA (Baulch et al., 1982) reviews of kinetic data for atmospheric chemistry. Both evaluations are based on N2O5 thermal decomposition data coupled with estimates of the equilibrium constant. The significance of the reactions for atmospheric chemistry rests not only on their rates but on the extent to which they result in a permanent sink for NOX.

  2. Assessment and estimation of (67)Cu production yield via deuteron induced reactions on (nat)Zn and (70)Zn.

    PubMed

    Hosseini, Seyedeh Fatemeh; Aboudzadeh, Mohammadreza; Sadeghi, Mahdi; Ahmadi Teymourlouy, Ahmad; Rostampour, Malihe

    2017-09-01

    (67)Cu radioisotope is a beta particle-emitting nuclide used in radioimmunotherapy (RIT) as well as for imaging, tracer kinetic studies and dosimetry. (67)Cu can be produced by bombarding (nat)Zn with deuterons. In this study, the physical yields of (67)Cu via (nat)Zn(d,x)(67)Cu reaction channel as well as via subreactions of (68)Zn(d,2pn)(67)Cu, (67)Zn(d,2p)(67)Cu, (70)Zn(d,2p3n)(67)Cu, (68)Zn(d,x)(67)Ni(T1/2=21s)→(67)Cu and (70)Zn(d,x)(67)Ni(T1/2=21s)→(67)Cu in the (nat)Zn target have been calculated by using the MCNPX-2.6, TALYS-1.8 and SRIM codes. Also, the total cross sections for production of (67)Cu from (nat)Zn(d,x)(67)Cu reaction channel in the energy range of 15-45MeV have been estimated by TALYS code. The best reaction to produce (67)Cu radionuclide in a carrier free form was chosen with deuteron energy around 30MeV on (70)Zn thick target. Good agreement between the calculated results and the experimental values shows that the employed methods can be used for prediction and production estimation in cyclotron. Copyright © 2017 Elsevier Ltd. All rights reserved.

  3. Direct measurements of OH and other product yields from the HO2 + CH3C(O)O2 reaction

    NASA Astrophysics Data System (ADS)

    Winiberg, F. A. F.; Dillon, T. J.; Orr, S. C.; Groß, C. B. M.; Bejan, I.; Brumby, C. A.; Evans, M. J.; Smith, S. C.; Heard, D. E.; Seakins, P. W.

    2015-10-01

    The reaction CH3C(O)O2 + HO2 → CH3C(O)OOH + O2 (Reaction R5a), CH3C(O)OH + O3 (Reaction R5b), CH3 + CO2 + OH + O2 (Reaction R5c) was studied in a series of experiments conducted at 1000 mbar and (293 ± 2) K in the HIRAC simulation chamber. For the first time, products, (CH3C(O)OOH, CH3C(O)OH, O3 and OH) from all three branching pathways of the reaction have been detected directly and simultaneously. Measurements of radical precursors (CH3OH, CH3CHO), HO2 and some secondary products HCHO and HCOOH further constrained the system. Fitting a comprehensive model to the experimental data, obtained over a range of conditions, determined the branching ratios α(R5a) = 0.37 ± 0.10, α(R5b) = 0.12 ± 0.04 and α(R5c) = 0.51 ± 0.12 (errors at 2σ level). Improved measurement/model agreement was achieved using k(R5) = (2.4 ± 0.4) × 10-11 cm3 molecule-1 s-1, which is within the large uncertainty of the current IUPAC and JPL recommended rate coefficients for the title reaction. The rate coefficient and branching ratios are in good agreement with a recent study performed by Groß et al. (2014b); taken together, these two studies show that the rate of OH regeneration through Reaction (R5) is more rapid than previously thought. GEOS-Chem has been used to assess the implications of the revised rate coefficients and branching ratios; the modelling shows an enhancement of up to 5 % in OH concentrations in tropical rainforest areas and increases of up to 10 % at altitudes of 6-8 km above the equator, compared to calculations based on the IUPAC recommended rate coefficient and yield. The enhanced rate of acetylperoxy consumption significantly reduces PAN in remote regions (up to 30 %) with commensurate reductions in background NOx.

  4. Direct measurements of OH and other product yields from the HO2 + CH3C(O)O2 reaction

    NASA Astrophysics Data System (ADS)

    Winiberg, Frank A. F.; Dillon, Terry J.; Orr, Stephanie C.; Groß, Christoph B. M.; Bejan, Iustinian; Brumby, Charlotte A.; Evans, Matthew J.; Smith, Shona C.; Heard, Dwayne E.; Seakins, Paul W.

    2016-03-01

    The reaction CH3C(O)O2 + HO2 → CH3C(O)OOH + O2 (Reaction R5a), CH3C(O)OH + O3 (Reaction R5b), CH3 + CO2 + OH + O2 (Reaction R5c) was studied in a series of experiments conducted at 1000 mbar and (293 ± 2) K in the HIRAC simulation chamber. For the first time, products, (CH3C(O)OOH, CH3C(O)OH, O3 and OH) from all three branching pathways of the reaction have been detected directly and simultaneously. Measurements of radical precursors (CH3OH, CH3CHO), HO2 and some secondary products HCHO and HCOOH further constrained the system. Fitting a comprehensive model to the experimental data, obtained over a range of conditions, determined the branching ratios α(R5a) = 0.37 ± 0.10, α(R5b) = 0.12 ± 0.04 and α(R5c) = 0.51 ± 0.12 (errors at 2σ level). Improved measurement/model agreement was achieved using k(R5) = (2.4 ± 0.4) × 10-11 cm3 molecule-1 s-1, which is within the large uncertainty of the current IUPAC and JPL recommended rate coefficients for the title reaction. The rate coefficient and branching ratios are in good agreement with a recent study performed by Groß et al. (2014b); taken together, these two studies show that the rate of OH regeneration through Reaction (R5) is more rapid than previously thought. GEOS-Chem has been used to assess the implications of the revised rate coefficients and branching ratios; the modelling shows an enhancement of up to 5 % in OH concentrations in tropical rainforest areas and increases of up to 10 % at altitudes of 6-8 km above the equator, compared to calculations based on the IUPAC recommended rate coefficient and yield. The enhanced rate of acetylperoxy consumption significantly reduces PAN in remote regions (up to 30 %) with commensurate reductions in background NOx.

  5. Kinetics of the reactions of HBr with O3 and HO2: The yield of HBr from HO2 + BrO

    NASA Technical Reports Server (NTRS)

    Mellouki, Abdelwahid; Talukdar, Ranajit K.; Howard, Carleton J.

    1994-01-01

    An upper limit on the yield of HBr from reaction (R1) (HO2 + BrO yields products) has been determined by measuring an upper limit for the rate coefficient of the reverse reaction (R1') (HBr + O3 yields HO2 + BrO). The limits measured at 300 and 441 K were extrapolated to low temperatures to determine that the yield of HBr from reaction (R1) is negligible throughout the stratosphere (less than 0.01% of k(sub 1)). An upper limit for the rate coefficient of the reaction of HO2 with HBr was also determined to be very low less than or equal to 3 x 10(exp -17) cu cm/molecule/sec at 300 K and less than or equal to 3 x 10(exp -16) cu cm/molecule/sec at 400 K. The implications of these results to stratospheric chemistry are discussed.

  6. Kinetics of the reactions of HBr with O3 and HO2: The yield of HBr from HO2 + BrO

    NASA Technical Reports Server (NTRS)

    Mellouki, Abdelwahid; Talukdar, Ranajit K.; Howard, Carleton J.

    1994-01-01

    An upper limit on the yield of HBr from reaction (R1) (HO2 + BrO yields products) has been determined by measuring an upper limit for the rate coefficient of the reverse reaction (R1') (HBr + O3 yields HO2 + BrO). The limits measured at 300 and 441 K were extrapolated to low temperatures to determine that the yield of HBr from reaction (R1) is negligible throughout the stratosphere (less than 0.01% of k(sub 1)). An upper limit for the rate coefficient of the reaction of HO2 with HBr was also determined to be very low less than or equal to 3 x 10(exp -17) cu cm/molecule/sec at 300 K and less than or equal to 3 x 10(exp -16) cu cm/molecule/sec at 400 K. The implications of these results to stratospheric chemistry are discussed.

  7. Analysis of polarization observables and radiative effects for the reaction p-bar+p{yields}e{sup +}+e{sup -}

    SciTech Connect

    Gakh, G. I.; Merenkov, N. P.; Tomasi-Gustafsson, E.

    2011-04-15

    The expressions for the differential cross section and polarization observables for the reaction p-bar+p{yields}e{sup +}+e{sup -} are given in terms of the nucleon electromagnetic form factors in the laboratory system, assuming the one-photon exchange. Radiative corrections due to the emission of virtual and real soft photons from the leptons are also calculated. Unlike in the center-of-mass system, they depend on the scattering angle. Polarization effects are derived in the case when the antiproton beam, the target, and the electron in the final state are polarized. Numerical estimations have been done for all observables, using models for the nucleon electromagnetic form factors in the time-like region. The radiative corrections to the differential cross section are calculated as functions of the beam energy and electron angle.

  8. Isomeric Yields Ratios in 120Te(γ,n)119m,gTe Reaction in the E1-GIANT Resonance Region

    NASA Astrophysics Data System (ADS)

    Mazur, V. M.; Symochko, D. M.; Bigan, Z. M.; Poltorzhytska, T. V.

    Isomeric state excitation in the 120Te(γ,n)119m,gTe reaction within the 10-20 MeV energy range has been studied with bremsstrahlung beams. Energy dependences of experimental isomeric yields ratios and reaction cross-sections have been obtained. Experimental results are compared with TALYS-1.2 calculations.

  9. Partial wave analysis of the reaction {gamma}p{yields}p{omega} and the search for nucleon resonances

    SciTech Connect

    Williams, M.; Applegate, D.; Bellis, M.; Meyer, C. A.; Dey, B; Dickson, R.; Krahn, Z.; McCracken, M. E.; Moriya, K.; Schumacher, R. A.; Adhikari, K. P.; Careccia, S. L.; Dodge, G. E.; Guler, N.; Klein, A.; Mayer, M.; Nepali, C. S.; Niroula, M. R.; Seraydaryan, H.; Tkachenko, S.

    2009-12-15

    An event-based partial wave analysis (PWA) of the reaction {gamma}p{yields}p{omega} has been performed on a high-statistics dataset obtained using the CLAS at Jefferson Lab for center-of-mass energies from threshold up to 2.4 GeV. This analysis benefits from access to the world's first high-precision spin-density matrix element measurements, available to the event-based PWA through the decay distribution of {omega}{yields}{pi}{sup +}{pi}{sup -}{pi}{sup 0}. The data confirm the dominance of the t-channel {pi}{sup 0} exchange amplitude in the forward direction. The dominant resonance contributions are consistent with the previously identified states F{sub 15}(1680) and D{sub 13}(1700) near threshold, as well as the G{sub 17}(2190) at higher energies. Suggestive evidence for the presence of a J{sup P}=5/2{sup +} state around 2 GeV, a ''missing'' state, has also been found. Evidence for other states is inconclusive.

  10. High yield of B-branch electron transfer in a quadruple reaction center mutant of the photosynthetic bacterium Rhodobacter sphaeroides.

    PubMed

    de Boer, Arjo L; Neerken, Sieglinde; de Wijn, Rik; Permentier, Hjalmar P; Gast, Peter; Vijgenboom, Erik; Hoff, Arnold J

    2002-03-05

    A new reaction center (RC) quadruple mutant, called LDHW, of Rhodobacter sphaeroides is described. This mutant was constructed to obtain a high yield of B-branch electron transfer and to study P(+)Q(B)(-) formation via the B-branch. The A-branch of the mutant RC contains two monomer bacteriochlorophylls, B(A) and beta, as a result of the H mutation L(M214)H. The latter bacteriochlorophyll replaces bacteriopheophytin H(A) of wild-type RCs. As a result of the W mutation A(M260)W, the A-branch does not contain the ubiquinone Q(A); this facilitates the study of P(+)Q(B)(-) formation. Furthermore, the D mutation G(M203)D introduces an aspartic acid residue near B(A). Together these mutations impede electron transfer through the A-branch. The B-branch contains two bacteriopheophytins, Phi(B) and H(B), and a ubiquinone, Q(B.) Phi(B) replaces the monomer bacteriochlorophyll B(B) as a result of the L mutation H(M182)L. In the LDHW mutant we find 35-45% B-branch electron transfer, the highest yield reported so far. Transient absorption spectroscopy at 10 K, where the absorption bands due to the Q(X) transitions of Phi(B) and H(B) are well resolved, shows simultaneous bleachings of both absorption bands. Although photoreduction of the bacteriopheophytins occurs with a high yield, no significant (approximately 1%) P(+)Q(B)(-) formation was found.

  11. Nickel Particles Selectively Confined in the Mesoporous Channels of SBA-15 Yielding a Very Stable Catalyst for DRM Reaction.

    PubMed

    Rodriguez-Gomez, Alberto; Pereñiguez, Rosa; Caballero, Alfonso

    2017-08-11

    A series of four Ni catalysts supported on SBA-15 and on a high SiO2 surface area have been prepared by modified impregnation (ImU) and deposition-precipitation (DP) methods. The catalysts have been extensively characterized, including in situ XAS (bulk sensitive) and XPS (surface sensitive) techniques, and their catalytic activities evaluated in the dry reforming reaction of methane (DRM). The combined use of XPS and XAS has allowed us to determine the location of nickel particles on each catalyst after reduction at high temperature (750 °C). Both Ni/SiO2-DP and Ni/SBA-15-DP catalysts yield well-dispersed and homogeneous metallic phases mainly located in the mesoporosity of both supports. On the contrary, the Ni/SiO2-ImU and Ni/SBA-15-ImU catalysts present a bimodal distribution of the reduced nickel phase, with nickel metallic particles located out and into the mesoporous structure of SiO2 or the SBA-15 channels. The Ni/SBA-15-DP catalyst was found the most stable and performing system, with a very low level of carbon deposition, about an order of magnitude lower than the equivalent ImU catalyst. This outstanding performance comes from the confinement of small and homogeneous nickel particles in the mesoporous channels of SBA-15, which, in strong interaction with the support, are resistant to sintering and coke deposition during the demanding reaction conditions of DRM.

  12. The reaction Cl + H2CO yields HCl + HCO: Decreased sensitivity of stratospheric ozone to chlorine perturbations

    NASA Technical Reports Server (NTRS)

    Stief, L. J.; Michael, J. V.; Payne, W. A.; Nava, D. F.; Butler, D. M.; Stolarski, R. S.

    1978-01-01

    The absolute rate constant for the reaction Cl + H2CO yields HCl + HCO has been determined by the flash-photolysis-resonance fluorescence method to be + or - 0.9 (2 sigma) x 10 to the -11th power cu cm/molecule per sec at 298 K and to have a negligible temperature dependence. This rate, which at stratospheric temperatures is more than 2000 times faster than the rate of Cl + CH4 and more than a factor of 2 faster than Cl + HO2, indicates that formaldehyde (H2CO) will compete significantly with methane (CH4) and HO2 for the conversion of active chlorine in the stratosphere to the inactive reservoir HCl. Chlorine will thus be a less efficient destroyer of stratospheric ozone than previously believed. One-dimensional eddy-diffusion photochemical model calculations indicate that the eventual ozone depletion for a steady-state chlorfluoromethane release at 1975 rates (750,000 tons/year) will be lowered from 20% to 18.5% by the inclusion of this reaction.

  13. Thick target yield measurement of 211At through the nuclear reaction 209Bi(α, 2n)

    NASA Astrophysics Data System (ADS)

    Alfarano, A.; Abbas, K.; Holzwarth, U.; Bonardi, M.; Groppi, F.; Alfassi, Z.; Menapace, E.; Gibson, P. N.

    2006-05-01

    Radionuclide Therapy (RNT) and Radioimmunotherapy (RIT) are potentially of great interest for cancer therapy. In many therapeutic applications alpha emitters should be much more effective than already-approved beta emitters due to the short range and high linear energy transfer of alpha particles. 213Bi is an important alpha emitter already used in clinical trials but the half-life of this radioisotope is short (46 minutes) and so its use is limited for certain therapies. 211At is potentially very interesting for medical purposes because of its longer half-life of 7.2 hours, and suitable decay scheme. We have studied the cyclotron-based production of 211At via the reaction 209Bi(α, 2n), this production route probably being the most promising in the long term. The energy dependence of thick target yields and the reaction cross sections for the production of 211At and 210At were determined and found to be in good agreement with literature. The best energy to produce 211At is 28-29 MeV. The possible production of the undesired, highly radiotoxic, and long-lived alpha-emitting 210Po (138.38 days), which is produced from decay of 210At, is also discussed.

  14. Pulsed, Photonuclear-induced, Neutron Measurements of Nuclear Materials with Composite Shielding

    SciTech Connect

    James Jones; Kevin Haskell; Rich Waston; William Geist; Jonathan Thron; Corey Freeman; Martyn Swinhoe; Seth McConchie; Eric Sword; Lee Montierth; John Zabriskie

    2011-07-01

    Active measurements were performed using a 10-MeV electron accelerator with inspection objects containing various nuclear and nonnuclear materials available at the Idaho National Laboratory’s Zero Power Physics Reactor (ZPPR) facility. The inspection objects were assembled from ZPPR reactor plate materials to evaluate the measurement technologies for the characterization of plutonium, depleted uranium or highly enriched uranium shielded by both nuclear and non-nuclear materials. A series of pulsed photonuclear, time-correlated measurements were performed with unshielded calibration materials and then compared with the more complex composite shield configurations. The measurements used multiple 3He detectors that are designed to detect fission neutrons between pulses of an electron linear accelerator. The accelerator produced 10-MeV bremsstrahlung X-rays at a repetition rate of 125 Hz (8 ms between pulses) with a 4-us pulse width. All inspected objects were positioned on beam centerline and 100 cm from the X-ray source. The time-correlated data was collected in parallel using both a Los Alamos National Laboratory-designed list-mode acquisition system and a commercial multichannel scaler analyzer. A combination of different measurement configurations and data analysis methods enabled the identification of each object. This paper describes the experimental configuration, the ZPPR inspection objects used, and the various measurement and analysis results for each inspected object.

  15. Calculation of total free energy yield as an alternative approach for predicting the importance of potential chemolithotrophic reactions in geothermal springs.

    PubMed

    Dodsworth, Jeremy A; McDonald, Austin I; Hedlund, Brian P

    2012-08-01

    To inform hypotheses regarding the relative importance of chemolithotrophic metabolisms in geothermal environments, we calculated free energy yields of 26 chemical reactions potentially supporting chemolithotrophy in two US Great Basin hot springs, taking into account the effects of changing reactant and product activities on the Gibbs free energy as each reaction progressed. Results ranged from 1.2 × 10(-5) to 3.6 J kg(-1) spring water, or 3.7 × 10(-5) to 11.5 J s(-1) based on measured flow rates, with aerobic oxidation of CH(4) or NH4 + giving the highest average yields. Energy yields calculated without constraining pH were similar to those at constant pH except for reactions where H(+) was consumed, which often had significantly lower yields when pH was unconstrained. In contrast to the commonly used normalization of reaction chemical affinities per mole of electrons transferred, reaction energy yields for a given oxidant varied by several orders of magnitude and were more sensitive to differences in the activities of products and reactants. The high energy yield of aerobic ammonia oxidation is consistent with previous observations of significant ammonia oxidation rates and abundant ammonia-oxidizing archaea in sediments of these springs. This approach offers an additional lens through which to view the thermodynamic landscape of geothermal springs. © 2012 Federation of European Microbiological Societies. Published by Blackwell Publishing Ltd. All rights reserved.

  16. Singlet-oxygen generation at gas-liquid interfaces: A significant artifact in the measurement of singlet-oxygen yields from ozone-biomolecule reactions

    SciTech Connect

    Kanofsky, J.R.; Sima, P.D. )

    1993-09-01

    Several ozone-biomolecule reactions have previously been shown to generate singlet oxygen in high yields. For some of these ozone-biomolecule reactions, we now show that the apparent singlet-oxygen yields determined from measurements of 1270 nm chemiluminescence were artifactually elevated by production of gas-phase singlet oxygen. The gas-phase singlet oxygen results from the reaction of gas-phase ozone with biomolecules near the surface of the solution. Through the use of a flow system that excludes air from the reaction chamber, accurate singlet-oxygen yields can be obtained. The revised singlet-oxygen yields (mol 1O2 per mol O3) for the reactions of ozone with cysteine, reduced glutathione, NADH, NADPH, human albumin, methionine, uric acid and oxidized glutathione are 0.23 +/- 0.02, 0.26 +/- 0.2, 0.48 +/- 0.04, 0.41 +/- 0.01, 0.53 +/- 0.06, 1.11 +/- 0.04, 0.73 +/- 0.05 and 0.75 +/- 0.01, respectively. These revised singlet-oxygen yields are still substantial.

  17. The reaction Cl + H2CO yields HCl + HCO: Decreased sensitivity of stratospheric ozone to chlorine perturbations

    NASA Technical Reports Server (NTRS)

    Stief, L. J.; Michael, J. V.; Payne, W. A.; Nava, D. F.; Butler, D. M.; Stolarski, R. S.

    1978-01-01

    The absolute rate constant for the reaction Cl + H2CO yields HCl + HCO was determined by the flash-photolysis resonance fluorescence method to be 7.5 plus or minus 0.9 (2 sigma) times 10 to the minus 11th power cu cm/molecule sec at 298 K and to have a negligible temperature dependence. This rate which is more than 2000 times faster than the rate of Cl + CH4 indicates that formaldehyde (H2CO) will compete significantly with methane (CH4) for the conversion of active chlorine in the stratosphere to the inactive reservoir HCl. Chlorine will thus be a less efficient destroyer of stratosphere ozone than previously believed. Ambient stratospheric ozone will depend less on the ambient chlorine amount and the predicted response to chlorine perturbations will be lessened. One-dimensional eddy-diffusion photochemical model calculations indicate a factor of 1.1 less sensitivity to chlorine than recently reported. For a steady-state CFM release at 1975 rates (750,000 tons/year) the eventual ozone depletion is now calculated to be 14%.

  18. The rate coefficient for the reaction NO2 + NO3 yielding NO + NO2 + O2 from 273 to 313 K

    NASA Technical Reports Server (NTRS)

    Cantrell, Chris A.; Shetter, Richard E.; Mcdaniel, Anthony H.; Calvert, Jack G.

    1990-01-01

    The ratio of rate constants for the reaction NO3 + NO yielding 2 NO2 (k3) and the reaction NO2 + NO3 yielding NO + NO2 + O2 (k4) were determined by measuring of NO and NO2 concentrations of NO and NO2 in an N2O5/NO2/N2 mixture over the temperature range 273-313 K. The measured ratio was found to be expressed by the equation k3/k4 = 387 exp(-1375/T). The results are consistent with those of Hammer et al. (1986).

  19. Laser-assisted chemistry in the reaction of Mg( sup 1 S) with CO sub 2 to yield MgO(B sup 1. Sigma. sup + )

    SciTech Connect

    BelBruno, J.J.; Raiche, G.A. )

    1988-10-01

    A photon of energy approximately equal to that of the endoergicity is shown to promote the title reaction. The photon is not resonant with any state of the reactants or products, but is absorbed by the quasimolecule formed during the collision. The process is carried out in an optical heat pipe and the reaction is observed by means of emission spectroscopy. A kinetic model yielding a bimolecular-type rate expression is shown to qualitatively predict the experiment results.

  20. Measurement of the slope parameter for the {eta}{yields}3{pi}{sup 0} decay in the pp{yields}pp{eta} reaction

    SciTech Connect

    Bashkanov, M.; Clement, H.; Meier, R.; Skorodko, T.; Wagner, G. J.; Bogoslawsky, D.; Ivanov, G.; Jiganov, E.; Kuznetsov, A.; Morosov, B.; Petukhov, Y.; Povtorejko, A.; Tikhomirov, V.; Calen, H.; Ekstroem, C.; Fransson, K.; Kupsc, A.; Marciniewski, P.; Ruber, R. J. M. Y.; Capellaro, F.

    2007-10-15

    The CELSIUS-WASA setup is used to measure the 3{pi}{sup 0} decay of {eta} mesons produced in pp interactions with beam kinetic energies of 1.36 and 1.45 GeV. The efficiency-corrected Dalitz plot and density distributions for this decay are shown, together with a fit of the quadratic slope parameter {alpha} yielding {alpha}=-0.026{+-}0.010(stat){+-}0.010(syst). This value is compared to recent experimental results and theoretical predictions.

  1. New data on ({gamma}, n), ({gamma}, 2n), and ({gamma}, 3n) partial photoneutron reactions

    SciTech Connect

    Varlamov, V. V. Ishkhanov, B. S.; Orlin, V. N.; Peskov, N. N.; Stepanov, M. E.

    2013-11-15

    Systematic discrepancies between the results of various experiments devoted to determining cross sections for total and partial photoneutron reactions are analyzed by using objective criteria of reliability of data in terms of the transitional photoneutron-multiplicity function F{sub i} = {sigma}({gamma}, in)/{sigma}({gamma}, xn), whose values for i = 1, 2, 3, ... cannot exceed by definition 1.00, 0.50, 0.33, ..., respectively. It was found that the majority of experimental data on the cross sections obtained for ({gamma}, n), ({gamma}, 2n), and ({gamma}, 3n) reactions with the aid of methods of photoneutron multiplicity sorting do not meet objective criteria (in particular, F{sub 2} > 0.50 for a vast body of data). New data on the cross sections for partial reactions on {sup 181}Ta and {sup 208}Pb nuclei were obtained within a new experimental-theoretical method that was proposed for the evaluation of cross sections for partial reactions and in which the experimental neutron yield cross section {sigma}{sup expt}({gamma}, xn) = {sigma}({gamma}, n) + 2{sigma}({gamma}, 2n) + 3{sigma}({gamma}, 3n) + ..., which is free from problems associated with determining neutron multiplicities, is used simultaneously with the functions F{sub i}{sup theor} calculated within a combined model of photonuclear reactions.

  2. Kinetics of the reactions of HBr with O{sub 3} and HO{sub 2}: The yield of HBr from HO{sub 2} + BrO

    SciTech Connect

    Mellouki, A.; Talukdar, R.K.; Howard, C.J.

    1994-11-20

    An upper limit on the yield of HBr from reaction (R1) (HO{sub 2} + BrO {yields} products) has been determined by measuring an upper limit for the rate coefficient of the reverse reaction (R1{prime}) (HBr + O{sub 3} {yields} HO{sub 2} + BrO). The limits measured at 300 and 441 K were extrapolated to low temperatures to determine that the yield of HBr from reaction (R1) is negligible throughout the stratosphere (<0.01% of k{sub 1}). An upper limit for the rate coefficient of the reaction of HO{sub 2} with HBr was also determined to be very low {le} 3 x 10{sup {minus}17}cm{sup 3}molecule{sup {minus}1}s{sup {minus}1} at 300 K and {le} 3 x 10{sup {minus}16}cm{sup 3}molecule{sup {minus}1}s{sup {minus}1} at 400 K. The implications of these results to stratospheric chemistry are discussed. 18 refs., 1 fig., 6 tabs.

  3. Pressure and temperature dependence kinetics study of the NO + BrO yielding NO2 + Br reaction - Implications for stratospheric bromine photochemistry

    NASA Technical Reports Server (NTRS)

    Watson, R. T.; Sander, S. P.; Yung, Y. L.

    1979-01-01

    The reactivity of NO with BrO radicals over a wide range of pressure (100-700 torr) and temperature (224-398 K) is investigated using the flash photolysis-ultraviolet absorption technique. The flash photolysis system consists of a high-pressure xenon arc light source, a reaction cell/gas filter/flash lamp combination, and a 216.5 half-meter monochromator/polychromator/spectrography for wavelength selectivity. The details of the reaction and its corresponding Arrhenius expression are identified. The results are compared with previous measurements, and atmospheric implications of the reaction are discussed. The NO + BrO yielding NO2 + Br reaction is shown to be important in controlling the concentration ratios of BrO/Br and BrO/HBr in the stratosphere, but this reaction does not affect the catalytic efficiency of BrOx in ozone destruction.

  4. Pressure and temperature dependence kinetics study of the NO + BrO yielding NO2 + Br reaction - Implications for stratospheric bromine photochemistry

    NASA Technical Reports Server (NTRS)

    Watson, R. T.; Sander, S. P.; Yung, Y. L.

    1979-01-01

    The reactivity of NO with BrO radicals over a wide range of pressure (100-700 torr) and temperature (224-398 K) is investigated using the flash photolysis-ultraviolet absorption technique. The flash photolysis system consists of a high-pressure xenon arc light source, a reaction cell/gas filter/flash lamp combination, and a 216.5 half-meter monochromator/polychromator/spectrography for wavelength selectivity. The details of the reaction and its corresponding Arrhenius expression are identified. The results are compared with previous measurements, and atmospheric implications of the reaction are discussed. The NO + BrO yielding NO2 + Br reaction is shown to be important in controlling the concentration ratios of BrO/Br and BrO/HBr in the stratosphere, but this reaction does not affect the catalytic efficiency of BrOx in ozone destruction.

  5. SU-E-T-612: Photonuclear Activation of Prosthetic Hips in Radiotherapy

    SciTech Connect

    Keehan, S; Taylor, M; Franich, R; Smith, R; Millar, J; Esser, M; Kron, T

    2015-06-15

    Purpose: To measure the neutron induced activation of a prosthetic hip when exposed to an 18 MV radiotherapy linac beam to assess the potential dose to patients. Methods: A prosthetic hip (Thackray, UK) was placed in a water phantom and irradiated (both in-field and out-of-field) with an 18 MV linac beam. Gamma spectroscopy was used to identify the radioisotopes produced. Following the in-field irradiation where the induced activity is higher, high sensitivity lithium fluoride Thermoluminescence Dosimeters (TLD-100H) (Harshaw, USA) were placed on the surface to measure the dose which would be deposited to nearby tissue resulting from the induced radioactivity. Results: The radioisotopes produced in the hip prosthesis have been identified as {sup 5{sup 2}}V, {sup 5{sup 3}}Fe, and {sup 56}Mn which have half-lives of 3.74, 8.51 and minutes respectively. The 378 and 511 keV characteristic peaks of {sup 5{sup 3}}Fe do not appear in the spectra collected from hips irradiated in the out-of-field region. This isotope is produced by photonuclear interactions within the hip itself. {sup 52}V and {sup 56}Mn appear in spectra collected from hips irradiated either within the photon beam or in the nearby out-of-field region, implying that they are produced by incident neutron radiation produced in components of the linear accelerator.The integrated dose which would be deposited in the tissue immediately surrounding the hip after four hours (1.5 half-lives of the longest lived product) was measured as approximately 100 µGy, following a 10,000 MU irradiation of the prosthesis. A highly accurate measurement of the dose is challenging because of the irregular shape of the prosthesis. Conclusion: The cumulative dose measured at the surface of the hip is 0.0001% of the in-field dose, and is therefore negligible compared with the doses the patient receives as a consequence of their treatment.

  6. Study of photo-proton reactions driven by bremsstrahlung radiation of high-intensity laser generated electrons

    NASA Astrophysics Data System (ADS)

    Spohr, K. M.; Shaw, M.; Galster, W.; Ledingham, K. W. D.; Robson, L.; Yang, J. M.; McKenna, P.; McCanny, T.; Melone, J. J.; Amthor, K.-U.; Ewald, F.; Liesfeld, B.; Schwoerer, H.; Sauerbrey, R.

    2008-04-01

    Photo-nuclear reactions were investigated using a high power table-top laser. The laser system at the University of Jena (I ~ 3-5×1019 W cm-2) produced hard bremsstrahlung photons (kT~2.9 MeV) via a laser-gas interaction which served to induce (γ, p) and (γ, n) reactions in Mg, Ti, Zn and Mo isotopes. Several (γ, p) decay channels were identified using nuclear activation analysis to determine their integral reaction yields. As the laser-generated bremsstrahlung spectra stretches over the energy regime dominated by the giant dipole resonance (GDR), these yield measurements were used in conjunction with theoretical estimates of the resonance energies Eres and their widths Γres to derive the integral reaction cross-section σint(γ,p) for 25Mn, 48, 49Ti, 68Zn and 97, 98Mo isotopes for the first time. This study enabled the determination of the previously unknown \\frac{{\\sigma}^int(\\gamma,n)}{{\\sigma}^int(\\gamma,p)} cross-section ratios for these isotopes. The experiments were supported by extensive model calculations (Empire) and the results were compared to the Thomas-Reiche-Kuhn (TRK) dipole sum rule as well as to the experimental data in neighboring isotopes and good agreement was observed. The Coulomb barrier and the neutron excess strongly influence the \\frac{{\\sigma}^int(\\gamma,n)}{{\\sigma}^int(\\gamma,p)} ratios for increasing target proton and neutron numbers.

  7. Reaction rate sensitivity of 44Ti production in massive stars and implications of a thick target yield measurement of 40Ca(alpha,gamma)44Ti

    SciTech Connect

    Hoffman, R D; Sheets, S A; Burke, J T; Scielzo, N D; Rauscher, T; Norman, E B; Tumey, S; Brown, T A; Grant, P G; Hurst, A M; Phair, L; Stoyer, M A; Wooddy, T; Fisker, J L; Bleuel, D

    2010-02-16

    We evaluate two dominant nuclear reaction rates and their uncertainties that affect {sup 44}Ti production in explosive nucleosynthesis. Experimentally we develop thick-target yields for the {sup 40}Ca({alpha},{gamma}){sup 44}Ti reaction at E{sub {alpha}} = 4.13, 4.54, and 5.36 MeV using {gamma}-ray spectroscopy. At the highest beam energy, we also performed an activation measurement which agrees with the thick target result. From the measured yields a stellar reaction rate was developed that is smaller than current statistical-model calculations and recent experimental results, which would suggest lower {sup 44}Ti production in scenarios for the {alpha}-rich freeze out. Special attention has been paid to assessing realistic uncertainties of stellar reaction rates produced from a combination of experimental and theoretical cross sections. With such methods, we also develop a re-evaluation of the {sup 44}Ti({alpha},p){sup 47}V reaction rate. Using these two rates we carry out a sensitivity survey of {sup 44}Ti synthesis in eight expansions representing peak temperature and density conditions drawn from a suite of recent supernova explosion models. Our results suggest that the current uncertainty in these two reaction rates could lead to as large an uncertainty in {sup 44}Ti synthesis as that produced by different treatments of stellar physics.

  8. Study of the yield of D-D, D-3He fusion reactions produced by the interaction of intense ultrafast laser pulses with molecular clusters

    NASA Astrophysics Data System (ADS)

    Barbui, Marina; Bang, Woosuk; Bonasera, Aldo; Hagel, Kris; Schmidt, Katarzyna; Natowitz, Joseph; Giuliani, Gianluca; Barbarino, Matteo; Dyer, Gilliss; Quevedo, Hernan; Gaul, Erhard; Borger, Ted; Bernstein, Aaron; Martinez, Mikael; Donovan, Michael; Ditmire, Todd; Kimura, Sachie; Mazzocco, Marco; Consoli, Fabrizio; De Angelis, Riccardo; Andreoli, Pierluigi

    2013-03-01

    The interaction of intense ultrafast laser pulses with molecular clusters produces a Coulomb explosion of the clusters. In this process, the positive ions from the clusters might gain enough kinetic energy to drive nuclear reactions. An experiment to measure the yield of D-D and D-3He fusion reactions was performed at University of Texas Center for High Intensity Laser Science. Laser pulses of energy ranging from 100 to 180 J and duration 150fs were delivered by the Petawatt laser. The temperature of the energetic deuterium ions was measured using a Faraday cup, whereas the yields of the D-D reactions were measured by detecting the characteristic 2.45 MeV neutrons and 3.02 MeV protons. In order to allow the simultaneous measurement of 3He(D,p)4He and D-D reactions, different concentrations of D2 and 3He or CD4 and 3He were mixed in the gas jet target. The 2.45 MeV neutrons from the D(D,n)3He reaction were detecteded as well as the 14.7 MeV protons from the 3He(D,p)4He reaction. The preliminary results will be shown.

  9. Composition and yields of secondary organic aerosol formed from OH radical-initiated reactions of linear alkenes in the presence of NO x: Modeling and measurements

    NASA Astrophysics Data System (ADS)

    Matsunaga, Aiko; Docherty, Kenneth S.; Lim, Yong B.; Ziemann, Paul J.

    The products and mechanism of secondary organic aerosol (SOA) formation from the OH radical-initiated reactions of linear alkenes in the presence of NO x were investigated in an environmental chamber. The SOA consisted primarily of products formed through reactions initiated by OH radical addition to the C dbnd C double bond, including β-hydroxynitrates and dihydroxynitrates, as well as cyclic hemiacetals, dihydrofurans, and dimers formed from particle-phase reactions of dihydroxycarbonyls. 1,4-Hydroxynitrates formed through reactions initiated by H-atom abstraction also appeared to contribute. Product yields and OH radical and alkoxy radical rate constants taken from the literature or calculated using structure-reactivity methods were used to develop a quantitative chemical mechanism for these reactions. SOA yields were then calculated using this mechanism with gas-particle partitioning theory and estimated product vapor pressures for comparison with measured values. Calculated and measured SOA yields agreed very well at high carbon numbers when semi-volatile products were primarily in the particle phase, but diverged with decreasing carbon number to a degree that depended on the model treatment of dihydroxycarbonyls, which appeared to undergo reversible reactions in the particle phase. The results indicate that the chemical mechanism developed here provides an accurate representation of the gas-phase chemistry, but the utility of the SOA model depends on the partitioning regime. The results also demonstrate some of the advantages of studying simple aerosol-forming reactions in which the majority of products can be identified and quantified, in this case leading to insights into both gas- and particle-phase chemistry.

  10. Reaction rates of the 113In(γ,n)112mIn and 115In(γ,n)114mIn

    NASA Astrophysics Data System (ADS)

    Skakun, Ye; Semisalov, I.; Kasilov, V.; Popov, V.; Kochetov, S.; Maslyuk, V.; Mazur, V.; Parlag, O.; Gajnish, I.

    2016-01-01

    The integral yields of the 113In(γ,n)112mIn (Jπ=9/2+→Jπ=4+) and 115In(γ,n)114mIn (Jπ=9/2+→Jπ=5+) photonuclear reactions were measured in the bremsstrahlung end-point energy range from the respective thresholds up to 14 MeV by a conventional activation/decay technique using the 197Au(γ,n)196Au reaction cross sections as the standard for the absolute photon intensity determination. The metallic indium samples of the natural and enriched compositions were irradiated by the bremsstrahlung beams from thin tantalum converters of the electron linear accelerator of NSC KIPT (Kharkiv) and the microtron of IEP (Ughhorod). The integral reaction yields were determined from the activities of the nuclei-products measured by the high resolution γ-ray spectrometry technique with Ge(Li)- and HPGe-detectors. The reaction rates for the Planck spectrum of a thermal photon bath were derived for the ground state target nuclei and compared to the predictions of the statistical model of nuclear reactions.

  11. Information on the Impact Parameter Dependence of the BAI Yields BaI(V=8)+H Reaction,

    DTIC Science & Technology

    1986-07-15

    the velocity dependence of the reaction channel studied. If the reaction probability is the same for all relative collision velocities, then the BaI(v...barrier in the entrance channel causes a cutoff in the relative collision velocity distribution, and this type of velocity dependence would significantly affect the shape of the specific opacity function.

  12. Heterogeneous reactions of HNO3(g) + NaCl(s) yields HCl(g) + NaNO3(s) and N2O5(g) + NaCl(s) yields ClNO2(g) + NaNO3(s)

    NASA Technical Reports Server (NTRS)

    Leu, Ming-Taun; Timonen, Raimo S.; Keyser, Leon F.; Yung, Yuk L.

    1995-01-01

    The heterogeneous reactions of HNO3(g) + NaCl(s) yields HCl(g) + NaNO3(s) (eq 1) and N2O5(g) + NaCl(s) yields ClNO2(g) + NaNO3(S) (eq 2) were investigated over the temperature range 223-296 K in a flow-tube reactor coupled to a quadrupole mass spectrometer. Either a chemical ionization mass spectrometer (CIMS) or an electron-impact ionization mass spectrometer (EIMS) was used to provide suitable detection sensitivity and selectivity. In order to mimic atmospheric conditions, partial pressures of HNO3 and N2O5 in the range 6 x 10(exp -8) - 2 x 10(exp -6) Torr were used. Granule sizes and surface roughness of the solid NaCl substrates were determined by using a scanning electron microscope. For dry NaCl substrates, decay rates of HNO3 were used to obtain gamma(1) = 0.013 +/- 0.004 (1sigma) at 296 K and > 0.008 at 223 K, respectively. The error quoted is the statistical error. After all corrections were made, the overall error, including systematic error, was estimated to be about a factor of 2. HCl was found to be the sole gas-phase product of reaction 1. The mechanism changed from heterogeneous reaction to predominantly physical adsorption when the reactor was cooled from 296 to 223 K. For reaction 2 using dry salts, gamma(2) was found to be less than 1.0 x 10(exp -4) at both 223 and 296 K. The gas-phase reaction product was identified as ClNO2 in previous studies using an infrared spectrometer. An enhancement in reaction probability was observed if water was not completely removed from salt surfaces, probably due to the reaction of N2O5(g) + H2O(s) yields 2HNO3(g). Our results are compared with previous literature values obtained using different experimental techniques and conditions. The implications of the present results for the enhancement of the hydrogen chloride column density in the lower stratosphere after the El Chichon volcanic eruption and for the chemistry of HCl and HNO3 in the marine troposphere are discussed.

  13. A flash photolysis resonance fluorescence investigation of the reaction OH + CH3CCl3 yields H2O + CH2CCl3. [in troposphere

    NASA Technical Reports Server (NTRS)

    Kurylo, M. J.; Anderson, P. C.; Klais, O.

    1979-01-01

    The absolute rate constant for the reaction OH + CH3CCl3 yields H2O + CH2CCl3 was determined by the flash photolysis resonance fluorescence method from 253 to 363K. The use of the Arrhenius equation with atmospheric observational data on methyl chloroform nearly doubles the predicted tropospheric OH reaction sink strength for the removal of atmospheric gases whose lifetimes are controlled by OH. The increased use of methyl chloroform instead of the restricted trichloroethylene focused attention to its role in stratospheric ozone depletion, producing modeling analyses to determine the amount of released methyl chloroform which reaches the stratosphere. Since the primary atmospheric loss of CH3CCl3 is considered by reaction with OH radicals, these data are used to compute an average tropospheric OH concentration and the strength of the 'global tropospheric OH reaction sink'.

  14. Formation of OH radicals in the gas-phase reaction of propene, isobutene, and isoprene with O{sub 3}: Yields and mechanistic implications

    SciTech Connect

    Neeb, P.; Moortgat, G.K.

    1999-11-11

    The gas-phase reaction of ozone with alkenes is one of the very few reactions of atmospheric interest that are initiated without free radicals. This tropospheric oxidation pathway for unsaturated compounds has received considerable attention because of the reported formation of OH radicals. OH radicals originating from the alkene-ozone reaction have been proposed as a relevant source of OH radicals in the lower troposphere. Since the reported yields of OH radicals differ considerably, the authors redetermined the OH radical yield for three terminal alkenes by performing a series of pseudo-first-order experiments. Ozonolysis studies were carried out under excess ozone conditions in the presence of different cyclohexane concentrations. The decay rate of the alkene ({kappa}{sub obs}) was followed by long-path FTIR spectroscopy. From the decrease of the effective rate constant ({kappa}{sub obs} = {kappa}{sub eff}[O{sub 3}]) upon addition of cyclohexane, the OH radical yield was determined. The OH radical yields were found to be independent of the concentration of reactants for the Criegee intermediates, which are formed in ozonolysis systems. From these results the authors conclude that OH radicals are formed in a unimolecular process, presumably from the decomposition of the excited Criegee intermediate. Determined yields of OH radical formation in the ozonolysis of propene, isobutene, and isoprene were 0.34, 0.60, and 0.26, respectively. Detailed product studies were performed to verify if the observed stable products can be explained by the assumption that OH radicals are formed via the hydroperoxide channel as proposed by Niki et al. For the isobutene-ozone system, experimental product yields were found to agree well with predictions from a chemical mechanism based on the chemistry of the acetonylperoxy radical CH{sub 3}C(O)CH{sub 2}O{sub 2}, which is formed as an important radical product from the decomposition of the (CH{sub 3}){sub 2}COO Criegee intermediate.

  15. Experimental search for the radiative capture reaction d + d {yields} {sup 4}He + {gamma} from the dd{mu} muonic molecule state J = 1

    SciTech Connect

    Baluev, V. V.; Bogdanova, L. N.; Bom, V. R.; Demin, D. L.; Eijk, C. W. E. van; Filchenkov, V. V.; Grafov, N. N.; Grishechkin, S. K.; Gritsaj, K. I.; Konin, A. D.; Mikhailyukov, K. L.; Rudenko, A. I.; Vinogradov, Yu. I.; Volnykh, V. P.; Yukhimchuk, A. A.; Yukhimchuk, S. A.

    2011-07-15

    A search for the muon-catalyzed fusion reaction d + d {yields} {sup 4}He + {gamma} in the dd{mu} muonic molecule was performed using the experimental installation TRITON with BGO detectors for {gamma}-quanta. A high-pressure target filled with deuterium was exposed to the negative muon beam of the JINR Phasotron to detect {gamma}-quanta with the energy 23.8 MeV. An experimental estimation for the yield of radiative deuteron capture from the dd{mu} state J = 1 was obtained at the level of {eta}{sub {gamma}} {<=} 8 Multiplication-Sign 10{sup -7} per fusion.

  16. A laser flash photolysis kinetics study of the reaction OH + H2O2 yields HO2 + H2O

    NASA Technical Reports Server (NTRS)

    Wine, P. H.; Semmes, D. H.; Ravishankara, A. R.

    1981-01-01

    Absolute rate constants for the reaction are reported as a function of temperature over the range 273-410 K. OH radicals are produced by 266 nm laser photolysis of H2O2 and detected by resonance fluorescence. H2O2 concentrations are determined in situ in the slow flow system by UV photometry. The results confirm the findings of two recent discharge flow-resonance fluorescence studies that the title reaction is considerably faster, particularly at temperatures below 300 K, than all earlier studies had indicated. A table giving kinetic data from the reaction is included.

  17. A laser flash photolysis kinetics study of the reaction OH + H2O2 yields HO2 + H2O

    NASA Technical Reports Server (NTRS)

    Wine, P. H.; Semmes, D. H.; Ravishankara, A. R.

    1981-01-01

    Absolute rate constants for the reaction are reported as a function of temperature over the range 273-410 K. OH radicals are produced by 266 nm laser photolysis of H2O2 and detected by resonance fluorescence. H2O2 concentrations are determined in situ in the slow flow system by UV photometry. The results confirm the findings of two recent discharge flow-resonance fluorescence studies that the title reaction is considerably faster, particularly at temperatures below 300 K, than all earlier studies had indicated. A table giving kinetic data from the reaction is included.

  18. Polarization effects in the N-bar+N{yields}{pi}+l{sup +}+l{sup -} reaction: General analysis and numerical estimations

    SciTech Connect

    Gakh, G. I.; Rekalo, A. P.; Tomasi-Gustafsson, E.; Boucher, J.; Gakh, A. G.

    2011-02-15

    A general formalism is developed to calculate the cross section and the polarization observables for the reaction N-bar+N{yields}{pi}+l{sup +}+l{sup -}. The matrix element and the observables are expressed in terms of six scalar amplitudes (complex functions of three kinematical variables) that determine the reaction dynamics. The numerical predictions are given in the frame of a particular model in the kinematical range accessible in the antiproton annihilation at Darmstadt (PANDA) experiment at the Facility for Antiproton and Ion Research (FAIR).

  19. Excitation function and yield for the (103)Rh(d,2n)(103)Pd nuclear reaction: Optimization of the production of palladium-103.

    PubMed

    Manenti, Simone; Alí Santoro, María Del Carmen; Cotogno, Giulio; Duchemin, Charlotte; Haddad, Ferid; Holzwarth, Uwe; Groppi, Flavia

    2017-03-06

    Deuteron-induced nuclear reactions for the generation of (103)Pd were investigated using the stacked-foil activation technique on rhodium targets at deuteron energies up to Ed=33MeV. The excitation functions of the reactions (103)Rh(d,xn)(101,103)Pd, (103)Rh(d,x)(100g,cum,101m,g,102m,g)Rh and (103)Rh(d,2p)(103)Ru have been measured, and the Thick-Target Yield for (103)Pd has been calculated.

  20. Theory of the compactness of the hot fusion reaction {sup 48}Ca+{sup 244}Pu{yields}{sup 292}114*

    SciTech Connect

    Gupta, Raj K.; Manhas, Monika; Muenzenberg, G.; Greiner, Walter

    2005-07-01

    Within the fragmentation theory, extended to include the orientations degrees of freedom and hexadecupole deformations, for optimized orientations, the {sup 48}Ca+{sup 244}Pu{yields}{sup 292}114* reaction is shown to be a 'compact' hot fusion reaction. The barrier is highest (hot fusion) and interaction radius smallest (compact), which occur for the collisions in the direction of the minor axis of the deformed reaction partner (i.e. for 90 deg. orientation of {sup 244}Pu). In addition to the {sup 48}Ca+{sup 244}Pu reaction valley, a number of other new reaction valleys (target-projectile combinations) are shown to arise for the 'optimally oriented hot' fusion process, the {sup 48}Ca+{sup 244}Pu being the best (lowest barrier) and {sup 54}Ti+{sup 238}U as the next possible best reaction for forming the cold compound nucleus {sup 292}114*. A similar reaction valley for {sup 48}Ca+{sup 244}Pu is found absent in the 'optimally oriented cold' fusion process.

  1. Data on photoneutron reactions from various experiments for {sup 133}Cs, {sup 138}Ba and {sup 209}Bi nuclei

    SciTech Connect

    Varlamov, V. V. Ishkhanov, B. S.; Orlin, V. N.; Peskov, N. N.

    2016-07-15

    Basic methods for determining cross sections for photoneutron partial reactions are examined. They are obtained directly in experiments with quasimonoeneregetic annihilation photons or from the cross section for the (γ, xn) = (γ, 1n) + 2(γ, 2n) + 3(γ, 3n) +... neutron-yield reaction in experiments with bremsstrahlung photons by introducing corrections based on statistical nuclear-reaction theory. The difference in the conditions of these experiments, which leads to discrepancies between their results because of sizable systematic errors, is analyzed. Physical criteria are used to study the reliability of data on the photodisintegration of {sup 133}Cs, {sup 138}Ba, and {sup 209}Bi nuclei. The cross sections for partial and total reactions satisfying the reliability criteria are evaluated within the experimental–theoretical method (σ{sup eval}(γ, in) = F{sub i}{sup theor} × σ{sup expt}(γ, xn)) on the basis of the experimental cross sections σ{sup expt}(γ, xn) and the results of the calculations within the combined model of photonuclear reactions.

  2. High-yield cell-free synthesis of human EGFR by IRES-mediated protein translation in a continuous exchange cell-free reaction format

    PubMed Central

    Quast, Robert B.; Sonnabend, Andrei; Stech, Marlitt; Wüstenhagen, Doreen A.; Kubick, Stefan

    2016-01-01

    Cell-free protein synthesis systems derived from eukaryotic sources often provide comparatively low amounts of several μg per ml of de novo synthesized membrane protein. In order to overcome this, we herein demonstrate the high-yield cell-free synthesis of the human EGFR in a microsome-containing system derived from cultured Sf21 cells. Yields were increased more than 100-fold to more than 285 μg/ml by combination of IRES-mediated protein translation with a continuous exchange cell-free reaction format that allowed for prolonged reaction lifetimes exceeding 24 hours. In addition, an orthogonal cell-free translation system is presented that enabled the site-directed incorporation of p-Azido-L-phenylalanine by amber suppression. Functionality of cell-free synthesized receptor molecules is demonstrated by investigation of autophosphorylation activity in the absence of ligand and interaction with the cell-free synthesized adapter molecule Grb2. PMID:27456041

  3. Improved information on the 7Li+p{yields}{alpha}+{alpha} reaction via the Trojan Horse Method applied to the 3He break-up

    SciTech Connect

    Tumino, A.; Spitaleri, C.; Sergi, M. L.; Cherubini, S.; La Cognata, M.; Lamia, L.; Pizzone, R. G.; Romano, S.; Tudisco, S.; Kroha, V.; Burjan, V.; Novac, J.; Vincour, J.; Fulop, S.; Somorjai, E.

    2006-04-26

    The astrophysically relevant 7Li+p{yields}{alpha}+{alpha} reaction was investigated via the THM by selecting the quasi-free contribution to the measured 3He+7Li{yields}{alpha}+{alpha}+d three-body process. This investigation is mainly aimed at testing the validity of the pole approximation in the THM against the bound structure of the Trojan-horse nucleus. The three-body experiment was performed at 33 MeV, corresponding to a 7Li-p relative energy ranging from 0.2 to 7 MeV. The quasi-free 7Li+p cross-section was compared with the free reaction cross-section as well as with indirect data from a previous THM experiment. The good agreement between data sets throughout the energy range investigated provided a very important validity test of the pole approximation for the THM.

  4. Results of an attempt to measure increased rates of the reaction D-2 + D-2 yields He-3 + n in a nonelectrochemical cold fusion experiment

    NASA Technical Reports Server (NTRS)

    Fralick, Gustave C.; Decker, Arthur J.; Blue, James W.

    1989-01-01

    An experiment was performed to look for evidence of deuterium fusion in palladium. The experiment, which involved introducing deuterium into the palladium filter of a hydrogen purifier, was designed to detect neutrons produced in the reaction D-2 + D-2 yields He-3 + n as well as heat production. The neutron counts for deuterium did not differ significantly from background or from the counts for a hydrogen control. Heat production was detected when deuterium, but not hydrogen, was pumped from the purifier.

  5. Effect of orbital and rotational angular momentum averaging on branching ratios of dynamical resonances in the reaction H + p-H2 yields o-H2 + H

    NASA Technical Reports Server (NTRS)

    Mladenovic, Mirjana; Zhao, Meishan; Truhlar, Donald G.; Schwenke, David W.; Sun, Yan

    1988-01-01

    The paper reports extensive quantum mechanical calculations of the product vibrational branching ratios in the reaction H + p-H2 yields o-H2 + H. The calculations involve total angular momentum up to 2 and excited as well as ground initial rotational states, and they are completely converged with up to 513 channels in individual total angular momentum/parity blocks. Comparisons are made with recent experiments by Nieh and Valentini.

  6. Theoretical characterization of the potential energy surface for the reversible reaction H + O2 yields HO2(asterisk) yields OH + O. III - Computed points to define a global potential energy surface

    NASA Technical Reports Server (NTRS)

    Walch, Stephen P.; Duchovic, Ronald J.

    1991-01-01

    Computed energies and geometries are reported which, combined with previously published calculations, permit a global representation of the potential energy surface for the reaction H + O2 yields HO2(asterisk) yields OH + O. These new calculations characterize the potential energy surface (PES) for all H atom angles of approach to O2 and for the region of the inner repulsive wall. The region of the T-shaped H-O2 exchange saddle point is connected with the constrained energy minimum (CEM) path, and a new collinear H-O2 exchange saddle point is characterized which lies only 9 kcal/mol above the H + O2 asymptote. A vibrational analysis which utilizes local cubic and quartic polynomial representations of the PES along the CEM path has been carried out. Optimal geometries, energies, and harmonic frequencies are reported along with anharmonic analyses for the O2 and OH asymptotes and for the HO2 minimum region of the PES.

  7. Theoretical characterization of the potential energy surface for the reversible reaction H + O2 yields HO2(asterisk) yields OH + O. III - Computed points to define a global potential energy surface

    NASA Technical Reports Server (NTRS)

    Walch, Stephen P.; Duchovic, Ronald J.

    1991-01-01

    Computed energies and geometries are reported which, combined with previously published calculations, permit a global representation of the potential energy surface for the reaction H + O2 yields HO2(asterisk) yields OH + O. These new calculations characterize the potential energy surface (PES) for all H atom angles of approach to O2 and for the region of the inner repulsive wall. The region of the T-shaped H-O2 exchange saddle point is connected with the constrained energy minimum (CEM) path, and a new collinear H-O2 exchange saddle point is characterized which lies only 9 kcal/mol above the H + O2 asymptote. A vibrational analysis which utilizes local cubic and quartic polynomial representations of the PES along the CEM path has been carried out. Optimal geometries, energies, and harmonic frequencies are reported along with anharmonic analyses for the O2 and OH asymptotes and for the HO2 minimum region of the PES.

  8. Isobaric yield ratios in heavy-ion reactions, and symmetry energy of neutron-rich nuclei at intermediate energies

    NASA Astrophysics Data System (ADS)

    Ma, Chun-Wang; Wang, Fang; Ma, Yu-Gang; Jin, Chan

    2011-06-01

    The isobaric yield ratios of the fragments produced in the neutron-rich Ca48 and Ni64 projectile fragmentation are analyzed in the framework of a modified Fisher model. The correlations between the isobaric yield ratios (R) and the energy coefficients in the Weiszäcker-Beth semiclassical mass formula (the symmetry-energy term asym, the Coulomb-energy term ac, and the pairing-energy term ap) and the difference between the chemical potentials of the neutron and proton (μn-μp) are investigated. Simple correlations between (μn-μp)/T, ac/T, asym/T, and ap/T (where T is the temperature), and lnR are obtained. It is suggested that (μn-μp)/T, ac/T, asym/T, and ap/T of neutron-rich nuclei can be extracted using isobaric yield ratios for heavy-ion collisions at intermediate energies.

  9. The carbon dioxide chaperon efficiency for the reaction H + O2 + M yields HO2 + M from ignition delay times behind reflected shock waves

    NASA Technical Reports Server (NTRS)

    Brabbs, Theodore A.; Robertson, Thomas F.

    1987-01-01

    Ignition delay times for stoichiometric hydrogen-oxygen in argon with and without carbon dioxide were measured behind reflected shock waves. A 20-reaction kinetic mechanism models the measured hydrogen-oxygen delay times over the temperature range 950 to 1300 K. The chaperon efficiency for carbon dioxide determined for the hydrogen-oxygen carbon dioxide mixture was 7.0. This value is in agreement with literature values but much less than a recent value obtained from flow tube experiments. Delay times measured behind a reflected shock wave were about 20% longer than those measured behind incident shock waves. The kinetic mechanism successfully modeled the high-pressure data of Skinner and the hydrogen-air data of Stack. It is suggested that the lowest temperature points for the hydrogen-air data of Slack are unreliable and that the 0.27-atm data may illustrate a case where vibrational relaxation of nitrogen is important. The reaction pathway HO2 yields H2O2 yields OH yields H was required to model the high-pressure data of Skinner. The successful modeling of the stoichiometric hydrogen-air data demonstrates the appropriateness of deriving kinetic models from data for gas mixtures highly diluted with argon. The technique of reducing a detailed kinetic mechanism to only the important reactions for a limited range of experimental data may render the mechanism useless for other test conditions.

  10. Determination of O2(a1Delta g) and O2(b1Sigma + g) yields in the reaction O + ClO yields Cl + O2 - Implications for photochemistry in the atmosphere of Venus

    NASA Technical Reports Server (NTRS)

    Leu, Ming-Taun; Yung, Yuk L.

    1987-01-01

    A discharge flow apparatus with a chemiluminescence detector was used to investigate the reaction O + ClO yields Cl + O2(asterisk), where O2(asterisk) = O2(a1Delta g) or O2(b1Sigma + g). It is found that the observed O2(a1Delta g) airglow of Venus cannot be explained in the framework of standard photochemistry using the experimental results obtained here and those reported in the recent literature. The possibility of an alternative source of O atoms derived from SO2 photolysis in the Venus mesosphere is suggested.

  11. Determination of O2(a1Delta g) and O2(b1Sigma + g) yields in the reaction O + ClO yields Cl + O2 - Implications for photochemistry in the atmosphere of Venus

    NASA Technical Reports Server (NTRS)

    Leu, Ming-Taun; Yung, Yuk L.

    1987-01-01

    A discharge flow apparatus with a chemiluminescence detector was used to investigate the reaction O + ClO yields Cl + O2(asterisk), where O2(asterisk) = O2(a1Delta g) or O2(b1Sigma + g). It is found that the observed O2(a1Delta g) airglow of Venus cannot be explained in the framework of standard photochemistry using the experimental results obtained here and those reported in the recent literature. The possibility of an alternative source of O atoms derived from SO2 photolysis in the Venus mesosphere is suggested.

  12. Direct kinetic study of radical transformation reaction Me sub 2 COH + Ph sub 2 CO yields Me sub 2 CO + Ph sub 2 COH

    SciTech Connect

    Demeter, A.; Berces, T. )

    1991-02-07

    Reaction Me{sub 2}COH + Ph{sub 2}CO {yields} Me{sub 2}CO + Ph{sub 2}COH (5) was studied by laser flash photolysis under such experimental conditions where the changes in the concentrations of ketyl radicals with reaction time were controlled by this radical transformation process. Diphenylketyl radical concentration profiles were obtained by monitoring transient absorption at 540 nm and the rate coefficient k{sub 5} was extracted from that part of the concentration trajectory which was determined solely by reaction 5. Thus, k{sub 5} = (3.6 {plus minus} 0.6) {times} 10{sup 5} dm{sup 3} mol{sup {minus}1} s{sup {minus}1} was determined at 298 K in acetonitrile, which is higher than the two recently reported values derived from quantum yields measured under steady-state conditions. A reaction mechanism for the radical transformation process (5) is proposed in which hydrogen-bonded species formed from ketyl radical and benzophenone participate.

  13. Time dependent quantum dynamics study of the Ne+H{sub 2}{sup +}(v=0-4){yields}NeH{sup +}+H proton transfer reaction

    SciTech Connect

    Mayneris, Jordi; Gonzalez, Miguel

    2008-05-21

    The Ne+H{sub 2}{sup +}{yields}NeH{sup +}+H proton transfer reaction was studied using the time dependent real wave packet quantum dynamics method at the helicity decoupling level, considering the H{sub 2}{sup +} molecular ion in the (v=0-4, j=0) vibrorotational states and a wide collision energy interval. The calculated reaction probabilities and reaction cross sections were in a rather good agreement with reanalyzed previous exact quantum dynamics results, where a much smaller collision energy interval was considered. Also, a quite good agreement with experimental data was found. These results suggested the adequacy of the approach used here to describe this and related systems.

  14. Photoneutron reaction cross sections from various experiments - analysis and evaluation using physical criteria of data reliability

    NASA Astrophysics Data System (ADS)

    Varlamov, Vladimir; Ishkhanov, Boris; Orlin, Vadim; Peskov, Nikolai; Stepanov, Mikhail

    2017-09-01

    The majority of photonuclear reaction cross sections important for many fields of science and technology and various data files (EXFOR, RIPL, ENDF, etc.) supported by the IAEA were obtained in experiments using quasimonoenergetic annihilation photons. There are well-known systematic discrepancies between the partial photoneutron reactions (γ, 1n), (γ, 2n), (γ, 3n). For analysis of the data reliability the objective physical criteria were proposed. It was found out that the experimental data for many nuclei are not reliable because of large systematic uncertainties of the neutron multiplicity sorting method used. The experimentally-theoretical method was proposed for evaluating the reaction cross sections data satisfying the reliability criteria. The partial and total reaction cross sections were evaluated for many nuclei. In many cases evaluated data differ noticeably from both the experimental data and the data evaluated before for the IAEA Photonuclear Data Library. Therefore it became evident that the IAEA Library needs to be revised and updated.

  15. Reactions of Ferrous Coproheme Decarboxylase (HemQ) with O2 and H2O2 Yield Ferric Heme b.

    PubMed

    Streit, Bennett R; Celis, Arianna I; Shisler, Krista; Rodgers, Kenton R; Lukat-Rodgers, Gudrun S; DuBois, Jennifer L

    2017-01-10

    A recently discovered pathway for the biosynthesis of heme b ends in an unusual reaction catalyzed by coproheme decarboxylase (HemQ), where the Fe(II)-containing coproheme acts as both substrate and cofactor. Because both O2 and H2O2 are available as cellular oxidants, pathways for the reaction involving either can be proposed. Analysis of reaction kinetics and products showed that, under aerobic conditions, the ferrous coproheme-decarboxylase complex is rapidly and selectively oxidized by O2 to the ferric state. The subsequent second-order reaction between the ferric complex and H2O2 is slow, pH-dependent, and further decelerated by D2O2 (average kinetic isotope effect of 2.2). The observation of rapid reactivity with peracetic acid suggested the possible involvement of Compound I (ferryl porphyrin cation radical), consistent with coproheme and harderoheme reduction potentials in the range of heme proteins that heterolytically cleave H2O2. Resonance Raman spectroscopy nonetheless indicated a remarkably weak Fe-His interaction; how the active site structure may support heterolytic H2O2 cleavage is therefore unclear. From a cellular perspective, the use of H2O2 as an oxidant in a catalase-positive organism is intriguing, as is the unusual generation of heme b in the Fe(III) rather than Fe(II) state as the end product of heme synthesis.

  16. Yield of delayed neutrons in the thermal-neutron-induced reaction {sup 245}Cm(n, f)

    SciTech Connect

    Andrianov, V. R.; Vyachin, V. N.; Gundorin, N. A.; Druzhinin, A. A.; Zhdanova, K. V.; Lihachev, A. N.; Pikelner, L. B.; Rebrova, N. V.; Salamatin, I. M.; Furman, V. I.

    2008-10-15

    The yield of delayed neutrons, v{sub d}, from thermal-neutron-induced fission of {sup 245}Cm is measured. Experiments aimed at studying the properties of delayed neutrons from the fission of some reactor isotopes and initiated in 1997 were continued at the upgraded Isomer-M facility by a method according to which a periodic irradiation of a sample with a pulsed neutron beam from the IBR-2 reactor was accompanied by recording emitted neutrons in the intervals between the pulses. The accuracy of the resulting total delayed-neutron yield v{sub d} = (0.64 {+-} 0.02)% is two times higher than that in previous measurements. This work was performed at the Frank Laboratory of Neutron Physics at the Joint Institute for Nuclear Research (JINR, Dubna).

  17. Isobaric yield ratios in heavy-ion reactions, and symmetry energy of neutron-rich nuclei at intermediate energies

    SciTech Connect

    Ma Chunwang; Wang Fang; Ma Yugang; Jin Chan

    2011-06-15

    The isobaric yield ratios of the fragments produced in the neutron-rich {sup 48}Ca and {sup 64}Ni projectile fragmentation are analyzed in the framework of a modified Fisher model. The correlations between the isobaric yield ratios (R) and the energy coefficients in the Weiszaecker-Beth semiclassical mass formula (the symmetry-energy term a{sub sym}, the Coulomb-energy term a{sub c}, and the pairing-energy term a{sub p}) and the difference between the chemical potentials of the neutron and proton ({mu}{sub n}-{mu}{sub p}) are investigated. Simple correlations between ({mu}{sub n}-{mu}{sub p})/T, a{sub c}/T, a{sub sym}/T, and a{sub p}/T (where T is the temperature), and lnR are obtained. It is suggested that ({mu}{sub n}-{mu}{sub p})/T, a{sub c}/T, a{sub sym}/T, and a{sub p}/T of neutron-rich nuclei can be extracted using isobaric yield ratios for heavy-ion collisions at intermediate energies.

  18. A laser flash photolysis-resonance fluorescence kinetics study of the reaction Cl/2P/ + CH4 yields CH3 + HCl

    NASA Technical Reports Server (NTRS)

    Ravishankara, A. R.; Wine, P. H.

    1980-01-01

    The technique of laser flash photolysis-resonance fluorescence is employed to study the kinetics of the reaction Cl(2P) + CH4 yields CH3 + HCl over the temperature range 221-375 K. At temperatures less than or equal to 241 K the apparent bimolecular rate constant is found to be dependent upon the identity of the chemically inert gases in the reaction mixture. For Cl2/CH4/He reaction mixtures (total pressure = 50 torr) different bimolecular rate constants are measured at low and high methane concentrations. For Cl2/CH4/CCl/He and Cl2/CH4/Ar reaction mixtures, the bimolecular rate constant is independent of methane concentration, being approximately equal to the rate constant measured at low methane concentrations for Cl2/CH4/He mixtures. These rate constants are in good agreement with previous results obtained using the discharge flow-resonance fluorescence and competitive chlorination techniques. At 298 K the measured bimolecular rate constant is independent of the identity of the chemically inert gases in the reaction mixture and in good agreement with all previous investigations. The low-temperature results obtained in this investigation and all previous investigations can be rationalized in terms of a model which assumes that the Cl(2P 1/2) state reacts with CH4 much faster than the Cl(2P 3/2) state. Extrapolation of this model to higher temperatures, however, is not straightforward.

  19. Hermes III endpoint energy calculation from photonuclear activation of 197Au and 58Ni foils

    SciTech Connect

    Parzyck, Christopher Thomas

    2014-09-01

    A new process has been developed to characterize the endpoint energy of HERMES III on a shot-to-shot basis using standard dosimetry tools from the Sandia Radiation Measurements Laboratory. Photonuclear activation readings from nickel and gold foils are used in conjunction with calcium fluoride thermoluminescent dosimeters to derive estimated electron endpoint energies for a series of HERMES shots. The results are reasonably consistent with the expected endpoint voltages on those shots.

  20. A quasiclassical trajectory study of H + CO sub 2 yields OH + CO: Bulk reaction dynamics and the effect of van der Waals precursor formation

    SciTech Connect

    Kudla, K.; Schatz, G.C. )

    1991-10-17

    The authors present the results of a quasiclassical trajectory study of the H+CO{sub 2} {yields} OH+CO reaction, with particular emphasis on comparing the bulk reaction dynamics (isolated bimolecular collisions) with results for the van der Waals precursor photoinduced reaction HBr{center dot}CO{sub 2} hv {yields} OH+CO+Br. All calculations are based on a full-dimensional HCO{sub 2} potential surface that was derived from ab initio calculations. The T-shaped HBr{center dot}CO{sub 2} system was modeled by adding HBr, BrC, and BrO pair potentials to the HCO{sub 2} potential. Their cross sections and OH product distributions for the bulk reaction are generally in good agreement with experiment over a wide range of collision energies. The agreement is especially good close to the effective threshold for reaction. The trajectory CO product distributions are in good agreement with recent measurements at 300 K, but there are important differences in the dependence of the distributions on initial rotational temperature. In modeling the van der Waals reaction, the experimental geometry for the heavy atoms is used to define initial conditions, with the orientation of the HBr relative to CO{sub 2} treated as a variable. The authors find that reaction occurs efficiently over angular regions in which the H atoms is directed into either HOCO or HCO{sub 2} wells. Overall energy available to the OH+CO products is about 80% of the bulk value, which is consistent with the major component of the energy distribution that has been inferred from experiment. However, the trajectory calculations indicate that the energy in products is not reduced equally for all degrees of freedom. In particular, OH rotation is not necessarily colder than in the bulk, in contrast to the experimental result. The energy dependence of the reaction probability is found in the calculations to be stronger in the complexes than in the bulk, while it is about the same in the experimental results.

  1. Rate constants for the reaction, O + H sub 2 O yields OH + OH, over the temperature range, 1500--2400 K, by the flash photolysis-shock tube technique: A further consideration of the back reaction

    SciTech Connect

    Lifshitz, A.; Michael, J.V.

    1990-01-01

    Rate constants for the reaction, O + H{sub 2}O {yields} OH + OH, have been measured by the Flash Photolysis-Shock Tube (FP-ST) technique over the temperature range, 1500--2400 K. This technique combines stock heating with flash photolysis in the reflected shock wave regime, and the transient species, O-atoms in this case, are monitored by atomic resonance absorption spectroscopy (aras). Additional experiments were performed with N{sub 2}O as a thermal source of O-atoms, and the formation and depletion of (O) were followed by the aras technique. These results require that the decomposition rate behavior of N{sub 2}O be known. The results obtained by this technique are compared to those obtained by the FP-ST technique and are found to be corroborative. Hence, the combined results are used to describe the rate constants for the title reaction. The experimental results are compared to earlier work, and rate constants for the title reaction are additionally calculated from published results for the reverse reaction, OH + OH, and the well known equilibrium constant. All results are combined, and the rate behavior for the title reaction is evaluated. Lastly, the results for both forward and reverse reactions are compared to the theoretical calculations presented recently by Harding and Wagner. It is concluded that theory and experiment are in agreement within experimental error.

  2. Unitary model for the {gamma}p {yields} {gamma}{pi}{sup 0}p reaction and the magnetic dipole moment of the {Delta}{sup +}(1232)

    SciTech Connect

    W.T. Chiang; Marc Vanderhaeghen; S.N. Yang; D. Drechsel

    2004-09-01

    Radiative pion photoproduction in the {Delta}(1232) resonance region is studied with the aim to access the {Delta}{sup +}(1232) magnetic dipole moment. We present a unitary model of the {gamma}p {yields} {gamma}{pi}N ({pi}N) = ({pi}{sup 0}p, {pi}{sup +}n) reactions, where the {pi}N rescattering is included in an on-shell approximation. In this model, the low energy theorem which couples the {gamma}p {yields} {gamma}{pi}N process in the limit of a soft final photon to the {gamma}p {yields} {pi}N process is exactly satisfied. We study the sensitivity of the {gamma}p {yields} {gamma}{pi}{sup 0}p process at higher values of the final photon energy to the {Delta}{sup +}(1232) magnetic dipole moment. We compare our results with existing data and give predictions for forthcoming measurements of angular and energy distributions. It is found that the photon asymmetry and a helicity cross section are particularly sensitive to the {Delta}{sup +} magnetic dipole moment.

  3. pp{yields}p{Lambda}K{sup +} reaction in search for the K{sup -}pp state - quest for a kaonic nuclei

    SciTech Connect

    Suzuki, Ken; Kienle, Paul; Maggiora, Marco; Yamazaki, Toshimitsu

    2011-10-21

    The dibaryonic kaonic nuclear bound state, K{sup -}pp is searched by studying an exclusive p+p{yields}p+{Lambda}+K{sup +} process at several beam energies. A signature of the K{sup -}pp is explored in a p+p{yields}X({identical_to}K{sup -}pp)+K{sup +} reaction that follows a decay of the X into p+{Lambda}. We found in a missing-mass {Delta}M(K{sup +}) spectrum and a {Lambda}p invariant-mass M({Lambda}p) spectrum of DISTO data at 2.85 GeV a resonance with M = 2267 MeV/c{sup 2} and {Gamma} = 118 MeV. Those events are found to be associated with a mono energetic kaon. We investigate this resonance as a candidate of the K{sup -}pp further also with a different beam energies.

  4. First measurements of deuterium-tritium and deuterium-deuterium fusion reaction yields in ignition-scalable direct-drive implosions

    DOE PAGES

    Forrest, C. J.; Radha, P. B.; Knauer, J. P.; ...

    2017-03-03

    In this study, the deuterium-tritium (D-T) and deuterium-deuterium neutron yield ratio in cryogenic inertial confinement fusion (ICF) experiments is used to examine multifluid effects, traditionally not included in ICF modeling. This ratio has been measured for ignition-scalable direct-drive cryogenic DT implosions at the Omega Laser Facility using a high-dynamic-range neutron time-of-flight spectrometer. The experimentally inferred yield ratio is consistent with both the calculated values of the nuclear reaction rates and the measured preshot target-fuel composition. These observations indicate that the physical mechanisms that have been proposed to alter the fuel composition, such as species separation of the hydrogen isotopes, aremore » not significant during the period of peak neutron production in ignition-scalable cryogenic direct-drive DT implosions.« less

  5. Systematic description of the {sup 6}Li(n,n{sup '}){sup 6}Li{sup *}{yields}d+{alpha} reactions with the microscopic coupled-channels method

    SciTech Connect

    Matsumoto, T.; Ichinkhorloo, D.; Kato, K.; Hirabayashi, Y.; Chiba, S.

    2011-06-15

    We investigate {sup 6}Li(n,n{sup '}){sup 6}Li{sup *}{yields}d+{alpha} reactions by using the continuum-discretized coupled-channels method with the complex Jeukenne-Lejeune-Mahaux effective nucleon-nucleon interaction. In this study, the {sup 6}Li nucleus is described by a d+{alpha} cluster model. The calculated elastic cross sections for incident energies between 7.47 and 24.0 MeV are in good agreement with experimental data. Furthermore, we show that the neutron spectra for {sup 6}Li breakup states measured at selected angular points and incident energies can be also reproduced systematically.

  6. Chemiluminescence from the Ca*(/sup 3/P) + SF/sub 6/ reaction: absolute cross section, photon yields, and electronic branching

    SciTech Connect

    Verdasco, E.; Rabanos, V.S.; Aoiz, F.J.; Urena, A.G.

    1987-04-09

    A study of the chemiluminescence under single-collision conditions of the reaction of the metastable Ca(4s4p /sup 3/P/sup 0/) of atomic calcium with SF/sup 6/ is presented. Chemiluminescence cross sections and photon yields for production of various CaF (A,B) band systems are also reported. The observed electronic branching ratio sigma/sub A//sigma/sub B/ is 4.77, and a comparison with several statistical model calculations is also discussed.

  7. Experimental study of the p+{sup 6}Li{yields}{eta}+{sup 7}Be reaction 11.3 MeV above threshold

    SciTech Connect

    Budzanowski, A.; Kliczewski, S.; Siudak, R.; Chatterjee, A.; Jha, V.; Roy, B. J.; Hawranek, P.; Magiera, A.; Jahn, R.; Kilian, K.; Maier, R.; Protic, D.; Ritman, J.; Rossen, P. von; Kirillov, Da.; Machner, H.; Kirillov, Di.; Piskunov, N.; Sitnik, I.; Kolev, D.

    2010-10-15

    The cross section for the reaction p+{sup 6}Li{yields}{eta}+{sup 7}Be was measured at an excess energy of 11.28 MeV above threshold by detecting the recoiling {sup 7}Be nuclei. A dedicated set of focal plane detectors was built for the magnetic spectrograph Big Karl and was used for identification and four-momentum measurement of {sup 7}Be. A differential cross section of nb/(d{sigma}/d{Omega})=[0.69{+-}0.20(stat.){+-}0.20(syst.)] sr for the ground state plus 1/2{sup -} was measured. The result is compared to model calculations.

  8. On the dynamics of the H{sup +}+D{sub 2}(v=0,j=0){yields}HD+D{sup +} reaction: A comparison between theory and experiment

    SciTech Connect

    Carmona-Novillo, Estela; Gonzalez-Lezana, Tomas; Roncero, Octavio; Honvault, Pascal; Launay, Jean-Michel; Bulut, Niyazi; Javier Aoiz, F.; Banares, Luis; Trottier, Alexandre; Wrede, Eckart

    2008-01-07

    The H{sup +}+D{sub 2}(v=0,j=0){yields}HD+D{sup +} reaction has been theoretically investigated by means of a time independent exact quantum mechanical approach, a quantum wave packet calculation within an adiabatic centrifugal sudden approximation, a statistical quantum model, and a quasiclassical trajectory calculation. Besides reaction probabilities as a function of collision energy at different values of the total angular momentum, J, special emphasis has been made at two specific collision energies, 0.1 and 0.524 eV. The occurrence of distinctive dynamical behavior at these two energies is analyzed in some detail. An extensive comparison with previous experimental measurements on the Rydberg H atom with D{sub 2} molecules has been carried out at the higher collision energy. In particular, the present theoretical results have been employed to perform simulations of the experimental kinetic energy spectra.

  9. Effects of methanol-to-oil ratio, catalyst amount and reaction time on the FAME yield by in situ transesterification of rubber seeds (Hevea brasiliensis)

    NASA Astrophysics Data System (ADS)

    Abdulkadir, Bashir Abubakar; Uemura, Yoshimitsu; Ramli, Anita; Osman, Noridah B.; Kusakabe, Katsuki; Kai, Takami

    2014-10-01

    In this research, biodiesel is produced by in situ transesterification (direct transesterification) method from the rubber seeds using KOH as a catalyst. The influence of methanol to seeds mass ratio, duration of reaction, and catalyst loading was investigated. The result shows that, the best ratio of seeds to methanol is 1:6 (10 g seeds with 60 g methanol), 120 minutes reaction time and catalyst loading of 3.0 g. The maximum FAME yield obtain was 70 %. This findings support FAME production from the seeds of rubber tree using direct transesterifcation method from the seeds of rubber tree as an alternative to diesel fuel. Also, significant properties of biodiesel such as cloud point, density, pour point, specific gravity, and viscosity were investigated.

  10. Yields of beta-hydroxynitrates and dihydroxynitrates in aerosol formed from OH radical-initiated reactions of linear alkenes in the presence of NO(x).

    PubMed

    Matsunaga, Aiko; Ziemann, Paul J

    2009-01-22

    Yields of beta-hydroxynitrates and dihydroxynitrates in aerosol formed from OH radical-initiated reactions of linear C(8)-C(17) 1-alkenes and C(14)-C(17) internal alkenes in the presence of NO(x) were measured using a thermal desorption particle beam mass spectrometer coupled to a high-performance liquid chromatograph (HPLC) with UV-vis detector for identification and quantification. For 1-alkenes, total yields of beta-hydroxynitrates normalized for OH radical addition to the CC double bond increased with carbon number, primarily because of enhanced gas-to-particle partitioning, to a plateau of 0.140 +/- 0.009 in the C(14)-C(17) range, with 1-hydroxy/2-hydroxy isomer fractions of 0.7:0.3. When combined with yields measured by O'Brien et al. ( O'Brien , J. M. , Czuba , E. , Hastie , D. R. , Francisco , J. S. , and Shepson , P. S. J. Phys. Chem. A 1998 , 102 , 8903 ) for reactions of smaller alkenes, the results for both 1-alkenes and internal alkenes indicate that the branching ratios for the formation of beta-hydroxynitrates from the reactions of NO with beta-hydroxyperoxy radicals (averaged over both isomers) increase from 0.009 for C(2) up to 0.13-0.15 for C(14) and larger and are approximately half the values determined by Arey et al. ( Arey , J. , Aschmann , S. M. , Kwok , E. S. C. , and Atkinson , R. J. Phys. Chem. A 2001 , 105 , 1020 ) for the corresponding alkyl peroxy radicals. The range of branching ratios may be higher for individual isomers, but this could not be determined. It is estimated that for 1-alkenes, approximately 60-70% of OH radical addition occurred at the terminal carbon atom. Average yields of dihydroxynitrates normalized for OH radical addition were 0.039 +/- 0.006 and 0.006 +/- 0.002 for 1-alkenes and internal alkenes, with differences reflecting enhanced decomposition of beta-hydroxyalkoxy radicals formed from internal alkenes. The addition of NH(3) reduced yields significantly, apparently by altering hydrogen bonding between hydroxy

  11. Calculated rate constants for the reaction ClO + O yields Cl + O2 between 220 and 1000 deg K. [molecular trajectories and stratospheric ozone

    NASA Technical Reports Server (NTRS)

    Jaffee, R. L.

    1978-01-01

    Classical trajectory calculations are presented for the reaction ClO + O yields Cl + O2, a reaction which is an important step in the chlorine-catalyzed destruction of ozone which is thought to occur in the 220 and 1000 K. The calculated rate constant is 4.36 x 10 to the minus 11th power exp (-191/T)cu cm molecule (-1)s(-1) and its value at 300 K is 2.3 plus or minus 10 to the 11th power cu cm molecule (-1)s(-1), about a factor of 2 lower than recent experimental data. The empirical potential energy surface used in the calculations was constructed to fit experimental data for ClO, O2 and ClOO molecules. Other important features of this potential surface, such as the barrier to reaction, were varied systematically and calculations were performed for a range of conditions to determine the best theoretical rate constants. Results demonstrate the utility of classical trajectory methods for determining activation energies and other kinetic data for important atmospheric reactions.

  12. Oscillatory and nonoscillatory behavior of a simple model for cool flames, Sal'nikov's reaction, P{yields}A {yields}B, occurring in a spherical batch reactor with varying intensities of natural convection

    SciTech Connect

    Campbell, A.N.; Cardoso, S.S.S.; Hayhurst, A.N.

    2008-07-15

    When cool flames, or indeed any exothermic chemical reaction, occur in a fluid inside an unstirred vessel, the heat from the reaction often induces temperature gradients and consequently motion, i.e., natural convection. The intensity of the resulting flow is governed by the Rayleigh number (Ra). This work simulates numerically the behavior of Sal'nikov's reaction, P{yields} A{yields}B, under the influence of natural convection in an unstirred spherical reactor. This reaction is the simplest to exhibit the thermokinetic oscillations characterizing cool flames. The behavior of this system can be represented on a three-dimensional regime diagram, whose axes are ratios of the characteristic timescales ({tau}) for chemical reaction, diffusion (of both heat and mass), and natural convection. Previous work has identified a region of oscillations on this diagram in the purely diffusive limit, when Ra=0. This work extends this analysis to the general 3D space, where diffusion and natural convection are both important. A region in which oscillations are observed has been found for fixed values of the first-order rate constants for Sal'nikov's reaction. There is a distinct change in the shape of the region of oscillations around the critical value of Ra{proportional_to}500, when natural convection becomes important. When diffusion dominates transport (Ra<500), the boundaries between oscillatory and nonoscillatory solutions are largely independent of the ratio of timescales {tau}{sub step}2/{tau}{sub convection} and agree well with the values found previously in the purely diffusive limit. When natural convection is important (Ra>500), the oscillations occur over a wider range of parameters than is the case for a diffusive system. The presence of natural convection also leads to various, more complex behaviors than are seen in the diffusive or well-mixed limits. A region in the regime diagram was found where the oscillations in temperature and the concentration of A have

  13. Thick target neutron yields and spectra from the Li(d,xn) reaction at 35 MeV

    SciTech Connect

    Johnson, D.L.; Mann, F.M.; Watson, J.W.; Brady, F.P.; Ullmann, J.L.; Romero, J.L.; Castaneda, C.M.; Zanelli, C.I.; Wyckoff, W.G.

    1980-05-01

    Measurements were performed using a 35 MeV deuteron beam from the isochronous cyclotron at the University of California at Davis. Data were obtained using the time-of-flight technique with an NE213 liquid scintillator. One set of measurements was used to observe the neutron spectrum from approx. 1 MeV to approx. 50 MeV, the maximum kinematically allowed energy. Observation angles were from 0/sup 0/ to 150/sup 0/ with emphasis on forward angles. Spectral data below approx. 1.5 MeV had poor accuracy. It was felt that a significant fraction of the neutron yield might lie at still lower energies, therefore a second set of measurements was performed to investigate the spectra to as low an energy as possible. Additional measurements were performed with a target enriched in the isotope /sup 6/Li replacing the natural lithium target used in previous measurements. The main advantage of a /sup 6/Li target is that the maximum kinematically allowed neutron energy is only about 38 MeV, hence reducing shielding requirements. The experiments, preliminary results, and future needs will be described.

  14. Search for Exotic Baryons in 800 GeV pp{yields}p{xi}{sup {+-}}{pi}{sup {+-}}X Reactions

    SciTech Connect

    Christian, D.C.; Gottschalk, E.E.; Gutierrez, G.; Wang, M.H.L.S.; Wehmann, A.; Felix, J.; Moreno, G.; Reyes, M.A.; Sosa, M.; Hartouni, E.P.; Knapp, B.C.; Kreisler, M.N.

    2005-10-07

    We report the results of a high-statistics, sensitive search for narrow baryon resonances decaying to {xi}{sup -}{pi}{sup -}, {xi}{sup -}{pi}{sup +}, {xi}{sup +}{pi}{sup -}, and {xi}{sup +}{pi}{sup +}. The only resonances observed are the well known {xi}{sup 0}(1530) and {xi}{sup 0}(1530). No evidence is found for the states near 1862 MeV, previously reported by NA49 [Phys. Rev. Lett. 92, 042003 (2003)]. At the 95% confidence level, we find the upper limit for the production of a Gaussian enhancement with {sigma}=7.6 MeV in the {xi}{sup -}{pi}{sup -} effective mass spectrum to be 0.3% of the number of observed {xi}{sup 0}(1530){yields}{xi}{sup -}{pi}{sup +}. We find similarly restrictive upper limits for an enhancement at 1862 MeV in the {xi}{sup -}{pi}{sup +}, {xi}{sup +}{pi}{sup -}, and {xi}{sup +}{pi}{sup +} mass spectra.

  15. Temperature dependent kinetics (195-798 K) and H atom yields (298-498 K) from reactions of (1)CH(2) with acetylene, ethene, and propene.

    PubMed

    Gannon, K L; Blitz, M A; Liang, C H; Pilling, M J; Seakins, P W; Glowacki, D R

    2010-09-09

    The rate coefficients for the removal of the excited state of methylene, (1)CH(2) (a(1)A(1)), by acetylene, ethene, and propene have been studied over the temperature range 195-798 K by laser flash photolysis, with (1)CH(2) being monitored by laser-induced fluorescence. The rate coefficients of all three reactions exhibit a negative temperature dependence that can be parametrized as k((1)CH(2)+C(2)H(2)) = (3.06 +/- 0.11) x 10(-10) T ((-0.39+/-0.07)) cm(3) molecule(-1) s(-1), k((1)CH(2)+C(2)H(4)) = (2.10 +/- 0.18) x 10(-10) T ((-0.84+/-0.18)) cm(3) molecule(-1) s(-1), k((1)CH(2)+C(3)H(6)) = (3.21 +/- 0.02) x 10(-10) T ((-0.13+/-0.01)) cm(3) molecule(-1) s(-1), where the errors are statistical at the 2sigma level. Removal of (1)CH(2) occurs by chemical reaction and electronic relaxation to ground state triplet methylene. The H atom yields from the reactions of (1)CH(2) with acetylene, ethene, and propene have been determined by laser-induced fluorescence over the temperature range 298-498 K. For the reaction with propene, H atom yields are close to the detection limit, but for acetylene and ethene, the fraction of H atom production is approximately 0.88 and 0.71, respectively, at 298 K, rising to unity by 398 K, with the balance of the reaction with acetylene presumed to be electronic relaxation. Experimental constraints limit studies to a maximum of 1 Torr of bath gas; master equation calculations using an approach that allows treatment of intermediates with deep energy wells have been carried out to explore the role of collisional stabilization for the reaction of (1)CH(2) with acetylene. Stabilization is calculated to be insignificant under the experimental conditions, but does become significant at higher pressures. Between pressures of 100 and 1000 Torr, propyne and allene are formed in similar amounts with a slight preference for propyne. At higher pressures propyne formation becomes about a factor two greater than that of allene, and above 10(5) Torr (300 < T

  16. Depth profiles of production yields of natPb(p, xn)206,205,204,203,202 Bi reactions using 100-MeV proton beam

    NASA Astrophysics Data System (ADS)

    Oranj, Leila Mokhtari; Jung, Nam-Suk; Oh, Joo-Hee; Lee, Arim; Kim, Dong-Hyun; Bae, Oryun; Lee, Hee-Seock

    2017-09-01

    In this study, results of the experimental study on the depth profiles of production yields of 206,205,204,203,202Bi radio-nuclei in the natural Pb target irradiated by a 100-MeV proton beam are presented. Irradiation was performed at proton linac facility (KOMAC) in Korea. The target, irradiated by 100-MeV protons, was arranged in a stack consisting of natural Pb, Al, Au foils and Pb plates. The proton beam intensity was determined by activation analysis method using 27Al(p, 3p1n)24Na, 197Au(p, p1n)196Au, and 197Au(p, p3n)194Au monitor reactions and also using dosimetry method by a Gafchromic film. The production yields of produced Bi radio-nuclei in the natural Pb foils and monitor reactions were measured by gamma-ray spectroscopy. Monte Carlo simulations were performed by FLUKA, PHITS, and MCNPX codes and compared with the measurements in order to verify validity of physical models and nuclear data libraries in the Monte Carlo codes. A fairly good agreement was observed between the present experimental data and the simulations by FLUKA, PHITS, and MCNPX. However, physical models and the nuclear data relevant to the end of range of protons in the codes need to be improved.

  17. Extended active space CASSCF/MRSD CI calculations of the barrier height for the reaction: O + H2 yields OH + H

    NASA Technical Reports Server (NTRS)

    Walch, Stephen P.

    1986-01-01

    The convergence of the barrier height for the O + H2 yields OH + H reaction was studied as a function of the size of the active space and basis set completeness. The barrier height is rapidly convergent with respect to expansion of the active space. Addition of 2p yields 2p' correlation terms to the active space lowers the barrier to the O + H2 reaction by about 2.0 kcal/mole, but addition of 3d and other terms has little additional effect. Multireference singles and doubles contracted CI plus Davidson's correction calculations using a (5s5p3d2f1g/4s3p2d1f) basis set with a 5 sigma 2 pi active space lead to a barrier height of 12.7 kcal/mole. Including an estimate of the CI contraction error and basis set superposition error leads to 12.4 kcal/mole as the best estimate of the barrier height.

  18. Feasibility study of the proton yield from the reaction D(3He,p)4 He as a possible tool for radiotherapy treatment

    NASA Astrophysics Data System (ADS)

    Uzunov, N. M.; Liguori, N.; Fontana, C. L.; Baneva, Y.; Atroshchenko, K.; Bello, M.; Moschini, G.; Rosato, A.; Rigato, V.; Doyle, B.; Rossi, P.

    2012-12-01

    Recent achievements in proton and carbon ions therapy have shown the importance of the hadron therapy methods. Aiming at radiotherapy applications such as dermatological and intra-operative procedures, where a short range treatment is needed, we have studied the use of nuclear reactions induced by low energy ions from small accelerators. A very suitable reaction is D(3He,p)4He, using 3He+ ions with energies of about 800 keV. The resulting protons have energies above 17 MeV and could deliver significant radiation dose depending on the accelerator 3He+ beam current and the irradiation time. The deuterium containing target was prepared by reactive magnetron sputtering of titanium in Ar and Ar + D2 radiofrequency plasma on a substrate of Silicon. The Ti-Dx stoichiometry and deuterium content was determined by Ion Beam Analysis. The accelerated 3He+ beam was provided by the 2.5MV Van de Graaff accelerator at the National Laboratories of Legnaro, INFN, Italy. Proton yield as a function of the beam current at different forward scattering angles has been studied for the energies of the incoming 3He+ in the 700keV - 800keV energy interval. The irradiated volume and the radiation dose in biological tissues as a function of the proton energy and proton yield has been estimated. Possible applications in small animal treatment studies as well as potential clinical radiotherapy applications are discussed.

  19. Depth profile of production yields of natPb(p, xn) 206,205,204,203,202,201Bi nuclear reactions

    NASA Astrophysics Data System (ADS)

    Mokhtari Oranj, Leila; Jung, Nam-Suk; Kim, Dong-Hyun; Lee, Arim; Bae, Oryun; Lee, Hee-Seock

    2016-11-01

    Experimental and simulation studies on the depth profiles of production yields of natPb(p, xn) 206,205,204,203,202,201Bi nuclear reactions were carried out. Irradiation experiments were performed at the high-intensity proton linac facility (KOMAC) in Korea. The targets, irradiated by 100-MeV protons, were arranged in a stack consisting of natural Pb, Al, Au foils and Pb plates. The proton beam intensity was determined by activation analysis method using 27Al(p, 3p1n)24Na, 197Au(p, p1n)196Au, and 197Au(p, p3n)194Au monitor reactions and also by Gafchromic film dosimetry method. The yields of produced radio-nuclei in the natPb activation foils and monitor foils were measured by HPGe spectroscopy system. Monte Carlo simulations were performed by FLUKA, PHITS/DCHAIN-SP, and MCNPX/FISPACT codes and the calculated data were compared with the experimental results. A satisfactory agreement was observed between the present experimental data and the simulations.

  20. An investigation of the role of water on retrograde/condensation reactions and enhanced liquefaction yields. Final report

    SciTech Connect

    Miknis, F.P.; Netzel, D.A.; Wallace, J.C. Jr.; Butcher, C.H.; Mitzel, J.M.; Turner, T.F.

    1995-02-01

    While great strides have been made in developing the technology of coal liquefaction processes in recent years, many unsolved problems still remain before a viable and economical process can be achieved. The technological problems that still exist can be solved through a more fundamental understanding of the chemistry associated with each stage of the coal liquefaction process, starting with any pretreatment steps that may be carried out on the coal itself. Western Research Institute, under the a contract from the US Department of Energy, has conducted a study of different methods of coal drying as pretreatment steps before liquefaction. The results of that study are the subject of this report. Coals that were dried or partially dried thermally and with microwaves had lower liquefaction conversions than coals containing equilibrium moisture contents. However, chemically dried coals had conversions equal to or greater than the premoisturized coals. The conversion behavior is consistent with changes in the physical structure and cross linking reactions because of drying. Thermal and microwave drying appear to cause a collapse in the pore structure, thus preventing donor solvents such as tetralin from contacting reactive sites inside the coals. Chemical dehydration does not appear to collapse the pore structure. From the study of the kinetics of the chemical dehydration of coals, it was possible to quantify the amount of water on the surface, the amount readily accessible in pores, and the amount more strongly bonded in the internal structure of the coals. The results indicate that high-rank coals have proportionally less surface and easily accessible water than the lower rank coals.

  1. Green synthesis of gold and silver nanoparticles using gallic acid: catalytic activity and conversion yield toward the 4-nitrophenol reduction reaction

    NASA Astrophysics Data System (ADS)

    Park, Jisu; Cha, Song-Hyun; Cho, Seonho; Park, Youmie

    2016-06-01

    In the present report, gallic acid was used as both a reducing and stabilizing agent to synthesize gold and silver nanoparticles. The synthesized gold and silver nanoparticles exhibited characteristic surface plasmon resonance bands at 536 and 392 nm, respectively. Nanoparticles that were approximately spherical in shape were observed in high-resolution transmission electron microscopy and atomic force microscopy images. The hydrodynamic radius was determined to be 54.4 nm for gold nanoparticles and 33.7 nm for silver nanoparticles in aqueous medium. X-ray diffraction analyses confirmed that the synthesized nanoparticles possessed a face-centered cubic structure. FT-IR spectra demonstrated that the carboxylic acid functional groups of gallic acid contributed to the electrostatic binding onto the surface of the nanoparticles. Zeta potential values of -41.98 mV for the gold nanoparticles and -53.47 mV for the silver nanoparticles indicated that the synthesized nanoparticles possess excellent stability. On-the-shelf stability for 4 weeks also confirmed that the synthesized nanoparticles were quite stable without significant changes in their UV-visible spectra. The synthesized nanoparticles exhibited catalytic activity toward the reduction reaction of 4-nitrophenol to 4-aminophenol in the presence of sodium borohydride. The rate constant of the silver nanoparticles was higher than that of the gold nanoparticles in the catalytic reaction. Furthermore, the conversion yield (%) of 4-nitrophenol to 4-aminophenol was determined using reversed-phase high-performance liquid chromatography with UV detection at 254 nm. The silver nanoparticles exhibited an excellent conversion yield (96.7-99.9 %), suggesting that the synthesized silver nanoparticles are highly efficient catalysts for the 4-nitrophenol reduction reaction.

  2. Modulation of the fluorescence yield in heliobacterial cells by induction of charge recombination in the photosynthetic reaction center.

    PubMed

    Redding, Kevin E; Sarrou, Iosifina; Rappaport, Fabrice; Santabarbara, Stefano; Lin, Su; Reifschneider, Kiera T

    2014-05-01

    Heliobacteria contain a very simple photosynthetic apparatus, consisting of a homodimeric type I reaction center (RC) without a peripheral antenna system and using the unique pigment bacteriochlorophyll (BChl) g. They are thought to use a light-driven cyclic electron transport pathway to pump protons, and thereby phosphorylate ADP, although some of the details of this cycle are yet to be worked out. We previously reported that the fluorescence emission from the heliobacterial RC in vivo was increased by exposure to actinic light, although this variable fluorescence phenomenon exhibited very different characteristics to that in oxygenic phototrophs (Collins et al. 2010). Here, we describe the underlying mechanism behind the variable fluorescence in heliobacterial cells. We find that the ability to stably photobleach P800, the primary donor of the RC, using brief flashes is inversely correlated to the variable fluorescence. Using pump-probe spectroscopy in the nanosecond timescale, we found that illumination of cells with bright light for a few seconds put them in a state in which a significant fraction of the RCs underwent charge recombination from P800 (+)A0 (-) with a time constant of ~20 ns. The fraction of RCs in the rapidly back-reacting state correlated very well with the variable fluorescence, indicating that nearly all of the increase in fluorescence could be explained by charge recombination of P800 (+)A0 (-), some of which regenerated the singlet excited state. This hypothesis was tested directly by time-resolved fluorescence studies in the ps and ns timescales. The major decay component in whole cells had a 20-ps decay time, representing trapping by the RC. Treatment of cells with dithionite resulted in the appearance of a ~18-ns decay component, which accounted for ~0.6 % of the decay, but was almost undetectable in the untreated cells. We conclude that strong illumination of heliobacterial cells can result in saturation of the electron acceptor pool

  3. Evaluation of the neutron energy spectrum, angular distribution, and yield of the 9Be(d,n) reaction with a thick beryllium target

    NASA Astrophysics Data System (ADS)

    Wei, Z.; Yan, Y.; Yao, Z. E.; Lan, C. L.; Wang, J.

    2013-05-01

    A mathematical model and a computer program are developed to calculate the neutron energy spectrum, angular distribution, and integrated yield of the 9Be(d,n) reaction on a thick beryllium target as an accelerator-based neutron source in the incident-deuteron-energy range from 0.5 to 20.0 MeV. The double-differential cross section computed by the talys code and the stopping power derived from the SRIM-2010 code are adopted in the program. Typical computational results are presented, and are compared with the previous experimental data to evaluate the computing model as well as the characteristics of the 9Be(d,n) reaction with a thick Be target. Moreover, the developed theory and calculation methods can also provide a reasonable evaluation for calculating data of double-differential cross sections and stopping power. This model and the program can predict the above characteristics parameters of the 9Be(d,n) reaction for a thick beryllium target as a neutron source in the incident-deuteron-energy range from 0.5 to 20.0 MeV.

  4. State-to-state rates for the D + H2(v = 1, j = 1) yield HD(v-prime, j-prime) + H reaction - Predictions and measurements

    NASA Technical Reports Server (NTRS)

    Neuhauser, Daniel; Judson, Richard S.; Kouri, Donald J.; Adelman, David E.; Shafer, Neil E.; Kliner, Dahv A. V.; Zare, Richard N.

    1992-01-01

    A fully quantal wavepacket approach to reactive scattering in which the best available H3 potential energy surface was used enabled a comparison with experimentally determined rates for the D + H2(v = 1, j = 1) yield HD(v-prime = 0, 1, 2; j-prime) + H reaction at significantly higher total energies (1.4 to 2.25 electron volts) than previously possible. The theoretical results are obtained over a sufficient range of conditions that a detailed simulation of the experiment was possible, thus making this a definitive comparison of experiment and theory. Good to excellent agreement is found for the vibrational branching ratios and for the rotational distributions within each product vibrational level. However, the calculated rotational distributions are slightly hotter than the experimentally measured ones.

  5. Differential cross section and analyzing power of the p-vectorp{yields}pp{pi}{sup 0} reaction at a beam energy of 390 MeV

    SciTech Connect

    Maeda, Y.; Segawa, M.; Yoshida, H. P.; Ishida, T.; Yagita, T.; Kacharava, A.; Nomachi, M.; Shimbara, Y.; Sugaya, Y.; Tamura, K.; Yasuda, K.; Wilkin, C.

    2008-04-15

    The differential cross section and analyzing power A{sub y} of the p-vectorp{yields}pp{pi}{sup 0} reaction have been measured at RCNP in coplanar geometry at a beam energy of 390 MeV and the dependence on both the pion emission angle and the relative momentum of the final protons has been extracted. The angular variation of A{sub y} for the large values of the relative momentum studied here shows that this is primarily an effect of the interference of pion s and p waves and this interference can also explain the momentum dependence. Within the framework of a very simple model, these results would suggest that the pion-production operator has a significant long-range component.

  6. Suppression of the Coulomb Interaction in the Off-Energy-Shell p-p Scattering from the p+d{yields}p+p+n Reaction

    SciTech Connect

    Tumino, A.; Spitaleri, C.; Rapisarda, G. G.; Cherubini, S.; Crucilla, V.; Gulino, M.; La Cognata, M.; Lamia, L.; Mudo, F.; Pizzone, R. G.; Romano, S.; Sergi, M. L.; Mukhamedzhanov, A.; Elekes, Z.; Fueloep, Z.; Gyuerky, G.; Kiss, G.; Somorjai, E.

    2007-06-22

    Off-energy-shell effects in p-p scattering have been investigated at p-p relative energies from 600 down to 80 keV applying the Trojan horse method (THM) to the p+d{yields}p+p+n reaction at 5 MeV. In contrast with the on-energy-shell case, no Coulomb-nuclear interference minimum has been found in the extracted THM p-p cross section, due to the suppression of the Coulomb amplitude as predicted by the half-off-energy shell calculations. This hypothesis is strengthened by the agreement between THM p-p data and calculated on-energy-shell n+n, n+p and nuclear p+p cross sections.

  7. The dependence of rate coefficients and product yields upon fluence, intensity, and time in unimolecular reactions induced by monochromatic infrared radiation

    NASA Astrophysics Data System (ADS)

    Quack, M.; Humbert, P.; van den Bergh, H.

    1980-07-01

    The influence of the three parameters (with two degrees of freedom) fluence, intensity, and time on rate coefficients and product yields in collisionless Unimolecular Reactions Induced by Monochromatic Infrared Radiation (URIMIR) is discussed in some detail in terms of the recently proposed logarithmic reactant fluence plots. Model calculations for several archetypes of such plots are presented, based on solutions of the Pauli master equation and solutions of the quantum mechanical equations of motion for spectra involving many states at each level of excitation. Linear diagrams, turnups, and turnovers are found and are discussed systematically. Experimental examples re-evaluated from the literature and new measurements on the laser induced decomposition of CF2HCl are reported which nicely illustrate the various theoretical possibilities. Steady state rate coefficients for six molecules are evaluated and summarized. In some situations the intrinsic nonlinear intensity dependence of the steady state rate coefficients and deviations from simple fluence dependence of the product yields both before and at steady state are shown to be important theoretically and experimentally. The role of the reducibility of the rate coefficient matrix is discussed in connection with turnovers and with the strong influence of initial temperature that is found in the laser induced decomposition of CF2HCl.

  8. First Measurements of Deuterium-Tritium and Deuterium-Deuterium Fusion Reaction Yields in Ignition-Scalable Direct-Drive Implosions

    NASA Astrophysics Data System (ADS)

    Forrest, C. J.; Radha, P. B.; Knauer, J. P.; Glebov, V. Yu.; Goncharov, V. N.; Regan, S. P.; Rosenberg, M. J.; Sangster, T. C.; Shmayda, W. T.; Stoeckl, C.; Gatu Johnson, M.

    2017-03-01

    The deuterium-tritium (D-T) and deuterium-deuterium neutron yield ratio in cryogenic inertial confinement fusion (ICF) experiments is used to examine multifluid effects, traditionally not included in ICF modeling. This ratio has been measured for ignition-scalable direct-drive cryogenic DT implosions at the Omega Laser Facility [T. R. Boehly et al., Opt. Commun. 133, 495 (1997), 10.1016/S0030-4018(96)00325-2] using a high-dynamic-range neutron time-of-flight spectrometer. The experimentally inferred yield ratio is consistent with both the calculated values of the nuclear reaction rates and the measured preshot target-fuel composition. These observations indicate that the physical mechanisms that have been proposed to alter the fuel composition, such as species separation of the hydrogen isotopes [D. T. Casey et al., Phys. Rev. Lett. 108, 075002 (2012), 10.1103/PhysRevLett.108.075002], are not significant during the period of peak neutron production in ignition-scalable cryogenic direct-drive DT implosions.

  9. Pentaquark {Theta}{sup +} production from the reaction {gamma}p {yields} {pi}{sup +} K{sup -} {Theta}{sup +}

    SciTech Connect

    W. Liu; C. M. Ko; V. Kubarovsky

    2004-02-01

    The cross section for {Theta}{sup +} production from the reaction {gamma}p {yields} {pi}{sup +} K{sup -} {Theta}{sup +}, which was observed in the CLAS experiment at the Jefferson National Laboratory, is evaluated in a hadronic model that includes couplings of {Theta}{sup +} to both KN and K*N. With their coupling constants determined from the empirical {pi} NN(1710) and {rho} NN(1710) coupling constants using the SU(3) symmetry, the cross section for this reaction has been evaluated by taking {Theta}{sup +} to have spin 1/2 and isospin 0 but either positive or negative parity. We find that the cross section is 10-15 nb if {Theta}{sup +} has positive parity as predicted by the chiral soliton model. The cross section is reduced by more than a factor of 10 if {Theta}{sup +} has negative parity as given by lattice QCD studies. For both parities, the differential distribution peaks at small negative four momentum transfer as expected from the dominating t-channel kaon-exchange diagram that involves only the coupling of {Theta}{sup +} to KN.

  10. Constructing Solid-Gas-Interfacial Fenton Reaction over Alkalinized-C3N4 Photocatalyst To Achieve Apparent Quantum Yield of 49% at 420 nm.

    PubMed

    Li, Yunxiang; Ouyang, Shuxin; Xu, Hua; Wang, Xin; Bi, Yingpu; Zhang, Yuanfang; Ye, Jinhua

    2016-10-03

    Efficient generation of active oxygen-related radicals plays an essential role in boosting advanced oxidation process. To promote photocatalytic oxidation for gaseous pollutant over g-C3N4, a solid-gas interfacial Fenton reaction is coupled into alkalinized g-C3N4-based photocatalyst to effectively convert photocatalytic generation of H2O2 into oxygen-related radicals. This system includes light energy as power, alkalinized g-C3N4-based photocatalyst as an in situ and robust H2O2 generator, and surface-decorated Fe(3+) as a trigger of H2O2 conversion, which attains highly efficient and universal activity for photodegradation of volatile organic compounds (VOCs). Taking the photooxidation of isopropanol as model reaction, this system achieves a photoactivity of 2-3 orders of magnitude higher than that of pristine g-C3N4, which corresponds to a high apparent quantum yield of 49% at around 420 nm. In-situ electron spin resonance (ESR) spectroscopy and sacrificial-reagent incorporated photocatalytic characterizations indicate that the notable photoactivity promotion could be ascribed to the collaboration between photocarriers (electrons and holes) and Fenton process to produce abundant and reactive oxygen-related radicals. The strategy of coupling solid-gas interfacial Fenton process into semiconductor-based photocatalysis provides a facile and promising solution to the remediation of air pollution via solar energy.

  11. Nonadiabatic dynamics in the CH{sub 3}+HCl{yields}CH{sub 4}+Cl({sup 2}P{sub J}) reaction

    SciTech Connect

    Retail, Bertrand; Pearce, Julie K.; Murray, Craig; Orr-Ewing, Andrew J.

    2005-03-08

    Nonadiabatic dynamics in the title reaction have been investigated by 2+1 REMPI detection of the Cl({sup 2}P{sub 3/2}) and Cl{sup *}({sup 2}P{sub 1/2}) products. Reaction was initiated by photodissociation of CH{sub 3}I at 266 nm within a single expansion of a dilute mixture of CH{sub 3}I and HCl in argon, giving a mean collision energy of 7800 cm{sup -1} in the center-of-mass frame. Significant production of Cl* was observed, with careful checks made to ensure that no additional photochemical or inelastic scattering sources of Cl* perturbed the measurements. The fraction of the total yield of Cl({sup 2}P{sub J}) atoms formed in the J=(1/2) level at this collision energy was 0.150{+-}0.024, and must arise from nonadiabatic dynamics because the ground potential energy surface correlates to CH{sub 4}+Cl({sup 2}P{sub 3/2}) products.

  12. New approach to analyzing and evaluating cross sections for partial photoneutron reactions

    SciTech Connect

    Varlamov, V. V. Ishkhanov, B. S.; Orlin, V. N.

    2012-11-15

    The presence of substantial systematic discrepancies between the results of different experiments devoted to determining cross sections for partial photoneutron reactions-first of all, ({gamma}, n), ({gamma}, 2n), and ({gamma}, 3n) reactions-is a strong motivation for studying the reliability and authenticity of these data and for developing methods for taking into account and removing the discrepancies in question. In order to solve the first problem, we introduce objective absolute criteria involving transitional photoneutron-multiplicity functions F{sub 1}, F{sub 2}, F{sub 3}, Horizontal-Ellipsis ; by definition, their values cannot exceed 1.0, 0.5, 0.33, Horizontal-Ellipsis , respectively. With the aim of solving the second problem, we propose a new experimental-theoretical approach. In this approach, reaction cross sections are evaluated by simultaneously employing experimental data on the cross section for the total photoneutron yield, {sigma}{sup expt}({gamma}, xn) = {sigma}{sup expt}({gamma}, n) + 2{sigma}{sup expt}({gamma}, 2n) + 3{sigma}{sup expt}({gamma}, 3n) + Horizontal-Ellipsis , which are free from drawbacks plaguing experimental methods for sorting neutrons in multiplicity, and the results obtained by calculating the functions F{sub theor}{sup 1}, F{sub theor}{sup 2}, F{sub theor}{sup 3}, Horizontal-Ellipsis on the basis of the modern model of photonuclear reactions. The reliability and authenticity of data on the cross sections for ({gamma}, n), ({gamma}, 2n), and ({gamma}, 3n) partial reactions-{sigma}{sup eval}({gamma}, in) = F{sub i}{sup theor}{sigma}{sup expt}({gamma}, xn)-were evaluated for the {sup 90}Zr, {sup 115}In, {sup 112,114,116,117,118,119,120,122,124}Sn, {sup 159}Tb, and {sup 197}Au nuclei.

  13. Simultaneous infrared detection of the ICH2OO radical and Criegee intermediate CH2OO: the pressure dependence of the yield of CH2OO in the reaction CH2I + O2.

    PubMed

    Huang, Yu-Hsuan; Chen, Li-Wei; Lee, Yuan-Pern

    2015-11-19

    The simplest Criegee intermediate CH2OO, important in atmospheric reactions, has been recently produced from the reaction of CH2I + O2 and detected with various methods. In this reaction, the yield of CH2OO decreases with increasing pressure because of the stabilization of the adduct ICH2OO, but no definitive spectral identification of ICH2OO has been reported. We recorded the infrared spectrum of ICH2OO using the same reaction under high pressure; the spectrum agrees with that simulated according to theoretical predictions. With direct detection of both CH2OO and ICH2OO, we determined the pressure dependence of the yield of CH2OO. The yield of CH2OO near 1 atm is greater than previously reported values, which might have significant consequences in atmospheric chemistry.

  14. The impact of the revised 17O(p, α)14N reaction rate on 17O stellar abundances and yields

    NASA Astrophysics Data System (ADS)

    Straniero, O.; Bruno, C. G.; Aliotta, M.; Best, A.; Boeltzig, A.; Bemmerer, D.; Broggini, C.; Caciolli, A.; Cavanna, F.; Ciani, G. F.; Corvisiero, P.; Cristallo, S.; Davinson, T.; Depalo, R.; Di Leva, A.; Elekes, Z.; Ferraro, F.; Formicola, A.; Fülöp, Zs.; Gervino, G.; Guglielmetti, A.; Gustavino, C.; Gyürky, G.; Imbriani, G.; Junker, M.; Menegazzo, R.; Mossa, V.; Pantaleo, F. R.; Piatti, D.; Piersanti, L.; Prati, P.; Samorjai, E.; Strieder, F.; Szücs, T.; Takács, M. P.; Trezzi, D.

    2017-02-01

    Context. Material processed by the CNO cycle in stellar interiors is enriched in 17O. When mixing processes from the stellar surface reach these layers, as occurs when stars become red giants and undergo the first dredge up, the abundance of 17O increases. Such an occurrence explains the drop of the 16O/17O observed in RGB stars with mass larger than 1.5M⊙. As a consequence, the interstellar medium is continuously polluted by the wind of evolved stars enriched in 17O. Aims: Recently, the Laboratory for Underground Nuclear Astrophysics (LUNA) collaboration released an improved rate of the 17O(p, α)14N reaction. In this paper we discuss the impact that the revised rate has on the 16O/17O ratio at the stellar surface and on 17O stellar yields. Methods: We computed stellar models of initial mass between 1 and 20 M⊙ and compared the results obtained by adopting the revised rate of the 17O(p, α)14N to those obtained using previous rates. Results: The post-first dredge up 16O/17O ratios are about 20% larger than previously obtained. Negligible variations are found in the case of the second and the third dredge up. In spite of the larger 17O(p, α)14N rate, we confirm previous claims that an extra-mixing process on the red giant branch, commonly invoked to explain the low carbon isotopic ratio observed in bright low-mass giant stars, marginally affects the 16O/17O ratio. Possible effects on AGB extra-mixing episodes are also discussed. As a whole, a substantial reduction of 17O stellar yields is found. In particular, the net yield of stars with mass ranging between 2 and 20 M⊙ is 15 to 40% smaller than previously estimated. Conclusions: The revision of the 17O(p, α)14N rate has a major impact on the interpretation of the 16O/17O observed in evolved giants, in stardust grains and on the 17O stellar yields.

  15. Photo-nuclear astrophysics in NewSUBARU {gamma}-ray source

    SciTech Connect

    Hayakawa, Takehito

    2010-08-12

    A laser Compton scattering (LCS){gamma}-ray source has been installed at an electron storage ring NewSUBARU at SPring-8. We have studied the nuclear physics using this LCS g-ray source. The half-lives of unstable isotopes, {sup 184}Re and {sup 164}Ho{sup m}, produced by photo-induced reactions have been measured. These half-lives are shorter than previous recommended values by 7% and 3%, respectively. These changes of the half-lives affects to evaluation of cross-sections using the activation method. We have discussed a problem of the residual ratio of an isomer in {sup 180}Ta in supernova explosions. The unstable ground state and the metastable isomer are linked by ({gamma}, {gamma}') reactions. We have developed a new time-dependent model to calculate the isomer ratio in supernovae. The solar abundance of {sup 180}Ta is reproduced by the supernova neutrino process with the present calculated isomer ratio.

  16. Dynamics of {sup 1}S{sub 0} diproton formation in the pd{yields}{l_brace}pp{r_brace}{sub s}n and pN{yields}{l_brace}pp{r_brace}{sub s}{pi} reactions in the GeV region

    SciTech Connect

    Uzikov, Yu. N.; Haidenbauer, J.; Wilkin, C.

    2007-01-15

    Mechanisms for the production of {sup 1}S{sub 0} diproton pairs, {l_brace}pp{r_brace}{sub s}, in the pd{yields}{l_brace}pp{r_brace}{sub s}n reaction are studied at proton beam energies 0.5-2 GeV in kinematics similar to those of backward elastic pd scattering. This reaction provides valuable information on the short-range NN and pd interactions that is complementary to that investigated in the well-known pd{yields}dp and dp{yields}p(0{sup degree})X processes. The pd{yields}{l_brace}pp{r_brace}{sub s}n reaction is related to the subprocesses {pi}{sup 0}d{yields}pn and pN{yields}{l_brace}pp{r_brace}{sub s}{pi} using two different one-pion-exchange (OPE) diagrams. Within both these models a reasonable agreement could be obtained with the data below 1 GeV. The similar energy dependence of the pd{yields}{l_brace}pp{r_brace}{sub s}n and pd{yields}dp cross sections and the small ratio of about 1.5% in the production of {l_brace}pp{r_brace}{sub s} to deuteron final states follow naturally within the OPE models.

  17. Native-Like and Denatured Cytochrome c Ions Yield Cation-to-Anion Proton Transfer Reaction Products with Similar Collision Cross-Sections

    NASA Astrophysics Data System (ADS)

    Laszlo, Kenneth J.; Buckner, John H.; Munger, Eleanor B.; Bush, Matthew F.

    2017-02-01

    The relationship between structures of protein ions, their charge states, and their original structures prior to ionization remains challenging to decouple. Here, we use cation-to-anion proton transfer reactions (CAPTR) to reduce the charge states of cytochrome c ions in the gas phase, and ion mobility to probe their structures. Ions were formed using a new temperature-controlled nanoelectrospray ionization source at 25 °C. Characterization of this source demonstrates that the temperature of the liquid sample is decoupled from that of the atmospheric pressure interface, which is heated during CAPTR experiments. Ionization from denaturing conditions yields 18+ to 8+ ions, which were each isolated and reacted with monoanions to generate all CAPTR products with charge states of at least 3+. The highest, intermediate, and lowest charge-state products exhibit collision cross-section distributions that are unimodal, multimodal, and unimodal, respectively. These distributions depend strongly on the charge state of the product, although those for the intermediate charge-state products also depend on that of the precursor. The distributions of the 3+ products are all similar, with averages that are less than half that of the 18+ precursor ions. Ionization of cytochrome c from native-like conditions yields 7+ and 6+ ions. The 3+ CAPTR products from these precursors have slightly more compact collision cross-section distributions that are indistinguishable from those for the 3+ CAPTR products from denaturing conditions. More broadly, these results indicate that the collision cross-sections of ions of this single domain protein depend strongly on charge state for charge states greater than 4.

  18. Native-Like and Denatured Cytochrome c Ions Yield Cation-to-Anion Proton Transfer Reaction Products with Similar Collision Cross-Sections

    NASA Astrophysics Data System (ADS)

    Laszlo, Kenneth J.; Buckner, John H.; Munger, Eleanor B.; Bush, Matthew F.

    2017-07-01

    The relationship between structures of protein ions, their charge states, and their original structures prior to ionization remains challenging to decouple. Here, we use cation-to-anion proton transfer reactions (CAPTR) to reduce the charge states of cytochrome c ions in the gas phase, and ion mobility to probe their structures. Ions were formed using a new temperature-controlled nanoelectrospray ionization source at 25 °C. Characterization of this source demonstrates that the temperature of the liquid sample is decoupled from that of the atmospheric pressure interface, which is heated during CAPTR experiments. Ionization from denaturing conditions yields 18+ to 8+ ions, which were each isolated and reacted with monoanions to generate all CAPTR products with charge states of at least 3+. The highest, intermediate, and lowest charge-state products exhibit collision cross-section distributions that are unimodal, multimodal, and unimodal, respectively. These distributions depend strongly on the charge state of the product, although those for the intermediate charge-state products also depend on that of the precursor. The distributions of the 3+ products are all similar, with averages that are less than half that of the 18+ precursor ions. Ionization of cytochrome c from native-like conditions yields 7+ and 6+ ions. The 3+ CAPTR products from these precursors have slightly more compact collision cross-section distributions that are indistinguishable from those for the 3+ CAPTR products from denaturing conditions. More broadly, these results indicate that the collision cross-sections of ions of this single domain protein depend strongly on charge state for charge states greater than 4.

  19. Measurements of yields of fission products in the reaction of {sup 238}U with high-energy p, d and n beams

    SciTech Connect

    Nolen, J.A.; Ahmad, I.; Back, B.B.

    1995-08-01

    An experiment was performed at the Michigan State University cyclotron to determine the yields of neutron-rich fission products in the reaction of {sup 238}U with 100-MeV neutrons, 200-MeV deuterons and 200-MeV protons. Several 1-mm-thick {sup 238}U foils were irradiated for 100-second intervals sequentially for each configuration and the ten spectra were added for higher statistics. The three successive spectra, each for a 40 s period, were accumulated for each sample. Ten foils were irradiated. Successive spectra allowed us to determine approximate half-lives of the gamma peaks. Several arrangements, which were similar to the setup we plan to use in our radioactive beam proposal, were used for the production of fission products. For the high-energy neutron irradiation, U foils were placed after a 5-inch-long, 1-inch-diameter Be cylinder which stopped the 200-MeV deuteron beam generating 100-MeV neutrons. Arrangements for deuteron irradiation included direct irradiation of U foils, placing U foils after different lengths of (0.5 inch, 1.0 inch and 1.5 inch) 2-inch diameter U cylinder. Since the deuteron range in uranium is 17 mm, some of the irradiations were due to the secondary neutrons from the deuteron-induced fission of U. Similar arrangements were also used for the 200-MeV proton irradiation of the {sup 238}U foils. In all cases, several neutron-rich fission products were identified and their yields determined. In particular, we were able to observe Sn in all the runs and determine its yield. The data show that with our proposed radioactive device we will be able to produce more than 10{sup 12} {sup 132}Sn atoms per second in the target. Assuming an overall efficiency of 1 %, we will be able to deliver one particle nanoampere of {sup 132}Sn beam at a target location. Detailed analysis of the {gamma}-ray spectra is in progress.

  20. Conservation of angular momentum in polyatomic photochemical reactions: H2CO(v,J,Ka,Kc)yields+HCO(N,Ka,Kc,J)

    NASA Astrophysics Data System (ADS)

    Waugh, Siobhan E.; Terentis, Andrew C.; Metha, Gregory F.; Kable, Scott H.

    1998-05-01

    The photodissociation dynamics of the reaction H2CO + hv yields H + HCO have been investigated just above the reaction threshold. Formaldehyde was excited into specific J, Ka, Kc rotational states of three vibrational levels in the A(1A2) state. Molecules in these states undergo internal conversion back to the X (1A1) ground state on which the radical fragments are formed. The ensuring distribution of rotational energy in the HCO fragment was measured as a function of the N, Ka, Kc and J equals N +/- S quantum numbers of the fragment, and also the initial v, J, Ka, Kc quantum numbers of the parent. In a previous publication we investigated the dynamics of this reaction at low available energy and concluded that when only the N and Ka quantum numbers of both formaldehyde and the formyl radical are considered, the distributions are modeled well by phase space theory (PST). This is consistent with statistical dynamics on a bound, barrier less surface. Within approximately equals 10 cm-1 of the energetic threshold, a centrifugal barrier affected the populations by inhibiting product states that require large orbital angular momentum. Resolution of Kc in the parent and product gave large deviations from the PST model, however little data were available to quantify this observation. In this work we have extended then umber of initially excited H2CO levels to explore this 'Kc effect' further. We find that in the HCO Kc state or the lower energy state. This preference is consistent over all N for any particular initial H2CO state but may very for different initial states. Over the seven initial states probed here, four favored Kc and the other three Kc. A correlation between this Kc preference and the initial state was observed: odd Kc formaldehyde states produce Kc preference in HCO and vice versa for initially even Kc states. A comparison with one previous observation of this effect is presented, however no concrete explanation can be offered at this stage.

  1. Measurements of the reaction e/+/e/-/ yielding gamma-gamma at center-of-mass energies in the range 6.2-7.4 GeV

    NASA Technical Reports Server (NTRS)

    Hilger, E.; Beron, B. L.; Carrington, R. L.; Ford, R. L.; Hill, W. T.; Hofstadter, R.; Hughes, E. B.; Liberman, A. D.; Martin, T. W.; Oneill, L. H.

    1977-01-01

    The cross section for the pair-annihilation reaction e(+)e(-) yields gamma-gamma were measured at center-of-mass energies in the range 6.2-7.4 GeV and at production angles close to 90 deg. The experimental apparatus consisted of two identical spectrometers which were set to view the luminous region at SPEAR-II from opposite directions at an azimuthal angle of 45 deg. In each spectrometer there was a NaI(TI) crystal 20 radiation lengths thick and 30 in. in diameter to measure the gamma-ray energies. Annihilation events were detected by an electronic trigger which required only the observation in coincidence of more than 0.2 GeV in each NaI(TI) crystal within + or - 15 nsec of the crossing beams. The observed rates of pair-annihilation events were found to be in agreement with those expected from quantum electrodynamics (QED) at all the center-of-mass energies used.

  2. Forward-Angle Yields Of {sup 6,8}He and {sup 9}Li Isotopes in {sup 11}B(33 AMeV)+{sup 9}Be Reaction

    SciTech Connect

    Artukh, A. G.; Klygin, S. A.; Kononenko, G. A.; Teterev, Yu. G.; Sereda, Yu. M.; Vorontsov, A. N.; Erdemchimeg, B.; Kaminski, G.; Vishnevski, I. N.; Ostashko, V. V.; Pavlenko, Yu. N.; Kovtun, V. E.; Koshchiy, E. I.; Foshchan, A. G.

    2010-04-30

    Using fragment-separator COMBAS [1] in forward-angle measurements the velocity, isotopic and element distributions of products with Z<7 in {sup 11}B(33 AMeV)+{sup 9}Be reaction have been studied. The yields of {sup 6,8}He and {sup 9}Li isotopes on the {sup 9}Be thick target (332.6 mg/cm{sup 2}) as a function of momentum acceptance of fragment -separator COMBAS have been measured. The production rates per 1pmuA of the primary beam of exotic nuclei of {sup 6}He(6.9centre dot10{sup 5} pps), {sup 8}He(2centre dot10{sup 4} pps) and {sup 9}Li(4.3centre dot10 {sup 5}pps) which can be used as secondary radioactive beams of halo -like nuclei have been determined. The two-neutron halo nuclei {sup 6,8}He and {sup 9}Li are of great current interest both as very neutron-rich nuclei with a significant neutron skin and in understanding the interactions of very neutron-rich nuclei. The {sup 9}Li beam may be helpful in understanding of sub barrier fusion enhancement independent of the presence of the halo nucleons in used neutron--rich projectiles.

  3. Precision study of the dp{yields}{sup 3}He{eta} reaction for excess energies between 20 and 60 MeV

    SciTech Connect

    Rausmann, T.; Khoukaz, A.; Mersmann, T.; Mielke, M.; Papenbrock, M.; Taeschner, A.; Buescher, M.; Hartmann, M.; Kacharava, A.; Nekipelov, M.; Ohm, H.; Rathmann, F.; Stroeher, H.; Chiladze, D.; Dymov, S.; Keshelashvili, I.; Kulessa, P.; Maeda, Y.; Mikirtychiants, S.; Valdau, Yu.

    2009-07-15

    The differential and total cross sections for the dp{yields}{sup 3}He{eta} reaction have been measured at COSY-ANKE at excess energies of 19.5, 39.4, and 59.4 MeV over the full angular range. The results are in line with trends apparent from the detailed near-threshold studies and also largely agree with those from CELSIUS, though the present data have much better angular coverage near the forward and backward directions, thus allowing firmer conclusions to be drawn. While at 19.5 MeV the results can be described in terms of s- and p-wave production, by 59.4 MeV higher partial waves are required. Including the 19.5 MeV point together with the near-threshold data in a global s- and p-wave fit gives a poorer overall description of the data though the position of the pole in the {eta}{sup 3}He scattering amplitude, corresponding to the quasibound or virtual state, is hardly changed.

  4. Measurements of the reaction e/+/e/-/ yielding gamma-gamma at center-of-mass energies in the range 6.2-7.4 GeV

    NASA Technical Reports Server (NTRS)

    Hilger, E.; Beron, B. L.; Carrington, R. L.; Ford, R. L.; Hill, W. T.; Hofstadter, R.; Hughes, E. B.; Liberman, A. D.; Martin, T. W.; Oneill, L. H.

    1977-01-01

    The cross section for the pair-annihilation reaction e(+)e(-) yields gamma-gamma were measured at center-of-mass energies in the range 6.2-7.4 GeV and at production angles close to 90 deg. The experimental apparatus consisted of two identical spectrometers which were set to view the luminous region at SPEAR-II from opposite directions at an azimuthal angle of 45 deg. In each spectrometer there was a NaI(TI) crystal 20 radiation lengths thick and 30 in. in diameter to measure the gamma-ray energies. Annihilation events were detected by an electronic trigger which required only the observation in coincidence of more than 0.2 GeV in each NaI(TI) crystal within + or - 15 nsec of the crossing beams. The observed rates of pair-annihilation events were found to be in agreement with those expected from quantum electrodynamics (QED) at all the center-of-mass energies used.

  5. Crystal chemistry and photomechanical behavior of 3,4-dimethoxycinnamic acid: correlation between maximum yield in the solid-state topochemical reaction and cooperative molecular motion

    PubMed Central

    Mishra, Manish Kumar; Mukherjee, Arijit; Ramamurty, Upadrasta; Desiraju, Gautam R.

    2015-01-01

    A new monoclinic polymorph, form II (P21/c, Z = 4), has been isolated for 3,4-dimethoxycinnamic acid (DMCA). Its solid-state 2 + 2 photoreaction to the corresponding α-truxillic acid is different from that of the first polymorph, the triclinic form I (, Z = 4) that was reported in 1984. The crystal structures of the two forms are rather different. The two polymorphs also exhibit different photomechanical properties. Form I exhibits photosalient behavior but this effect is absent in form II. These properties can be explained on the basis of the crystal packing in the two forms. The nanoindentation technique is used to shed further insights into these structure−property relationships. A faster photoreaction in form I and a higher yield in form II are rationalized on the basis of the mechanical properties of the individual crystal forms. It is suggested that both Schmidt-type and Kaupp-type topochemistry are applicable for the solid-state trans-cinnamic acid photodimerization reaction. Form I of DMCA is more plastic and seems to react under Kaupp-type conditions with maximum molecular movements. Form II is more brittle, and its interlocked structure seems to favor Schmidt-type topochemistry with minimum molecular movement. PMID:26594373

  6. Photonuclear dose calculations for high-energy photon beams from Siemens and Varian linacs.

    PubMed

    Chibani, Omar; Ma, Chang-Ming Charlie

    2003-08-01

    primary electron energy shift. A Siemens 18 MV beam with 15 MeV (instead of 14 MeV) primary electrons would increase by 40% the neutron DER and by 210% the proton + alpha DER. Comparisons with measurements (neutron yields from different materials and neutron dose equivalent) are also presented. Using the NCRP risk assessment method, we found that the dose equivalent from leakage neutrons (at 50-cm off-axis distance) represent 1.1, 1.1, and 2.0% likelihood of fatal secondary cancer for a 70 Gy treatment delivered by the Siemens 18 MV, Varian 15 MV, and Varian 18 MV beams, respectively.

  7. Time-dependent wave-packet quantum scattering study of the reactions D{sup -}+H{sub 2}{yields}H{sup -}+HD and H{sup -}+D{sub 2}{yields}D{sup -}+HD

    SciTech Connect

    Yao Li; Ju Liping; Han Keli; Chu Tianshu

    2006-12-15

    The cross sections of the title reactions were calculated as functions of collision energy in the range 0.2-2.4 eV on a potential energy surface of Panda and Sathyamurthy [J. Chem. Phys. 121, 9343 (2004)]. The calculated results with the Coriolis coupled method were found to be more consistent with the experimental ones than the centrifugal sudden approximation, thus suggesting that Coriolis coupling plays an important role in those reactions. A pronounced isotopic effect was also revealed and attributed to the significant difference of the effective potential barrier height in both reactions.

  8. Computer simulation and experimental investigation of Mo-99 yield in thick targets as a Tc-99m generator

    NASA Astrophysics Data System (ADS)

    Malykhina, T.; Torhovkin, O.

    2017-09-01

    The most important requirement for the production technology of radionuclides is to provide a high specific activity of the target nuclide as well as the full activity of the target. This problem can be solved by using a large volume of photonuclear targets, and then by the target nuclide radiochemical separation. Computer simulation and experimental study of the spatial distribution of the activity is carried out in this work for the molybdenum target. Optimal parameters of irradiation to achieve the maximum yield of isotopes Mo-99 (Tc-99m) from the molybdenum target have been found.

  9. Cross sections of the O{sup +}+H{sub 2}{yields}OH{sup +}+H ion-molecule reaction and isotopic variants (D{sub 2}, HD): Quasiclassical trajectory study and comparison with experiments

    SciTech Connect

    Martinez, Rodrigo; Sierra, Jose Daniel; Gonzalez, Miguel

    2005-11-01

    A dynamics study [cross section and microscopic mechanism versus collision energy (E{sub T})] of the reaction O{sup +}+H{sub 2}{yields}OH{sup +}+H, which plays an important role in Earth's ionosphere and interstellar chemistry, was conducted using the quasiclassical trajectory method, employing an analytical potential energy surface (PES) recently derived by our group [R. Martinez et al., J. Chem. Phys. 120, 4705 (2004)]. Experimental excitation functions for the title reaction, as well as its isotopic variants with D{sub 2} and HD, were near-quantitatively reproduced in the calculations in the very broad collision energy range explored (E{sub T}=0.01-6.0 eV). Intramolecular and intermolecular isotopic effects were also examined, yielding data in good agreement with experimental results. The reaction occurs via two microscopic mechanisms (direct and nondirect abstraction). The results were satisfactorily interpreted based on the reaction probability and the maximum impact parameter dependences with E{sub T}, and considering the influence of the collinear [OHH]{sup +} absolute minimum of the PES on the evolution from reactants to products. The agreement between theory and experiment suggests that the reaction mainly occurs through the lowest energy PES and nonadiabatic processes are not very important in the wide collision energy range analyzed. Hence, the PES used to describe this reaction is suitable for both kinetics and dynamics studies.

  10. Energy dependence of state-to-state reaction probabilities forH{sub 2} + OH {yields} H + H{sub 2}O in six dimensions

    SciTech Connect

    Dai, J.; Zhu, W.; Zhang, J.Z.H.

    1996-08-15

    We report benchmark time-dependent quantum calculation ofstate-to-state reaction probabilities for the title reaction in fulldimensions (6D) using the widely used Schatz-Elgersma potential energysurface (PES). The time-dependent wave function is propagated using thediatom-diatom Jacobi coordinates and the energy-specific state-to-statereaction probabilities are obtained by using the correlation functionmethod. All results reported here are for reaction resulting from theground state of H{sub 2} + OH to various product states H + H{sub 2}Ofor total angular momentum J = 0. The present calculation shows thatalthough the total reaction probability is a smooth function of energy,the final state-specific reaction probabilities show oscillatorystructures as a function of collision energy for the title reaction. 19refs., 4 figs.

  11. Measurement of flux-weighted average cross-sections and isomeric yield ratios for 103Rh(γ,xn) reactions in the bremsstrahlung end-point energies of 55 and 60 MeV

    NASA Astrophysics Data System (ADS)

    Shakilur Rahman, Md.; Kim, Kwangsoo; Kim, Guinyun; Naik, Haladhara; Nadeem, Muhammad; Thi Hien, Nguyen; Shahid, Muhammad; Yang, Sung-Chul; Cho, Young-Sik; Lee, Young-Ouk; Shin, Sung-Gyun; Cho, Moo-Hyun; Woo Lee, Man; Kang, Yeong-Rok; Yang, Gwang-Mo; Ro, Tae-Ik

    2016-07-01

    We measured the flux-weighted average cross-sections and the isomeric yield ratios of 99m, g, 100m, g, 101m, g, 102m, gRh in the 103Rh( γ, xn) reactions with the bremsstrahlung end-point energies of 55 and 60MeV by the activation and the off-line γ-ray spectrometric technique, using the 100MeV electron linac at the Pohang Accelerator Laboratory (PAL), Korea. The flux-weighted average cross-sections were calculated by using the computer code TALYS 1.6 based on mono-energetic photons, and compared with the present experimental data. The flux-weighted average cross-sections of 103Rh( γ, xn) reactions in intermediate bremsstrahlung energies are the first time measurement and are found to increase from their threshold value to a particular value, where the other reaction channels open up. Thereafter, it decreases with bremsstrahlung energy due to its partition in different reaction channels. The isomeric yield ratios (IR) of 99m, g, 100m, g, 101m, g, 102m, gRh in the 103Rh( γ, xn) reactions from the present work were compared with the literature data in the 103Rh(d, x), 102-99Ru(p, x) , 103Rh( α, αn) , 103Rh( α, 2p3n) , 102Ru(3He, x), and 103Rh( γ, xn) reactions. It was found that the IR values of 102, 101, 100, 99Rh in all these reactions increase with the projectile energy, which indicates the role of excitation energy. At the same excitation energy, the IR values of 102, 101, 100, 99Rh are higher in the charged particle-induced reactions than in the photon-induced reaction, which indicates the role of input angular momentum.

  12. Flux peaking of 7-12 keV deuterons at channeling in TiD2 crystal and enhancement of neutrons yield in d(d,n)3He reaction

    NASA Astrophysics Data System (ADS)

    Tukhfatullin, T. A.; Pivovarov, Yu. L.; Dudkin, G. N.; Eikhorn, Y. L.; Kuznetsov, S. I.

    2017-07-01

    To study the reactions between light nuclei (dd, pd, d3He, d4He) with an ultralow collision energy, there is a need in the information on the yield of neutrons in the reaction d(d,n)3He versus the angular and spatial distribution of particles during the channeling process in thin crystals. The authors of recent publications suppose that the increase in the yield of neutrons and the occurrence of the orientation effect are connected with the screening and channeling effects. In this paper, the probability of increasing the yield of neutrons is studied depending on the energy, the angular and spatial distribution, as well as on the focusing of the incident deuterons at the locations of embedded deuterons (so-called flux peaking effect) during the dd reaction in TiD2 crystals, using computational modeling. The trajectories of deuterons in the crystal were modeled using a computer code Basic Channeling with Mathematica™ (BCM-1.0). The results of the theoretical study concerning the effect of plane channeling of ultralow energy deuterons on the relative probability of dd-synthesis are in good agreement with the experimental data. To improve the efficiency of the neutrons yield, the direction and recommendations are given for future experimental studies.

  13. Measurement of cross sections for {alpha}-induced reactions on {sup 197}Au and thick-target yields for the ({alpha},{gamma}) process on {sup 64}Zn and {sup 63}Cu

    SciTech Connect

    Basunia, M. S.; Smith, A. R.; Shugart, H. A.; Norman, E. B.

    2007-01-15

    We have measured the cross sections for the {sup 197}Au({alpha},{gamma}){sup 201}Tl and {sup 197}Au({alpha},2n){sup 199}Tl reactions in the 17.9- to 23.9-MeV energy range, and {sup 197}Au({alpha},n){sup 200}Tl reaction in the 13.4- to 23.9-MeV energy range using an activation technique. Thick-target yields for the {sup 64}Zn({alpha},{gamma}){sup 68}Ge (7- to 14-MeV) and {sup 63}Cu({alpha},{gamma}){sup 67}Ga (7-MeV) reactions were measured. For all measurements, natural elements were bombarded with He{sup +} beams from the 88 In. Cyclotron at the Lawrence Berkeley National Laboratory (LBNL). Irradiated samples were counted using a {gamma}-spectrometry system at LBNL's Low Background Facility. Measured {sup 197}Au({alpha},{gamma}){sup 201}Tl cross sections were compared with the NON-SMOKER theoretical values. The thick-target yields for the {sup 64}Zn({alpha},{gamma}){sup 68}Ge and {sup 63}Cu({alpha},{gamma}){sup 67}Ga reactions are also compared with the theoretical yield, calculated numerically using the energy dependent NON-SMOKER cross section data. In both cases, measured values are found to follow a trend of overlapping the predicted value near the alpha nucleus barrier height and fall below with a slowly widening difference between them in the sub-barrier energy points.

  14. Practical yields of I-124 from different targets in the {sup 124}Te(d,2n){sup 124}I reaction and an improved recovery of Te-124

    SciTech Connect

    Firouzbakht, M.L.

    1994-12-31

    Iodine-124 is a positron-emitting isotope with a longer half-life (4.2 days) which has been used in preliminary studies for PET. Monoclonal antibodies labelled with this isotope offer promise in using PET to quantitate the biodistribution of a monoclonal. The most practical way to make the I-124 on a medium energy cyclotron is from the {sup 124}Te(d,2n){sup 124}I reaction on enriched Te-124. The {sup 125}Te(d,3n){sup 124}I reaction has been used but has been found to be less desirable due to the lower yields. The extremely high cost of the enriched Te-124 demands that nearly all the target material be recovered. In this light the author has undertaken a study of yield and recovery of Te-124 based on the widely used chemistry for production of I-123 from the {sup 124}Te(p,2n){sup 123}I reaction and the recovery of the Te-124. The target used in this study was a flat plate target. The target material is pressed into a groove in an aluminum plate which is inclined at a 10{degrees} angle to the beam. The author made a direct comparison of the yields of I-124 from a pure tellurium powder target, a tellurium powder target with added aluminum, and a tellurium oxide pellet target. These three target materials give yields which are consistent with the amount of tellurium at low beam currents (i.e. the target which is 10% aluminum gives a yield of 87% of the pure tellurium target) but show deviations at higher beam currents with the aluminum doped target giving better yields. The commonly used methods of separating the 1-124 and recovery of the enriched tellurium were explored and a new method was developed which gives better recovery of tellurium-124.

  15. Effect of in-medium parameters of ρ meson in its photoproduction reactions on nuclei

    SciTech Connect

    Das, Swapan

    2015-03-15

    There exist model calculations showing the modification of the hadronic parameters of ρ meson in the nuclear environment. From these parameters, we extract the ρ-meson-nucleus optical potential and show the medium effect due to this potential on the ρ-meson mass distribution spectra in the photonuclear reactions. The calculated results reproduced reasonably the measured e{sup +}e{sup −} invariant mass, i.e., ρ-meson mass, distribution spectra in γ, ρ{sup 0} → e{sup +}e{sup −} reactions on nuclei.

  16. Photoneutron reactions in astrophysics

    SciTech Connect

    Varlamov, V. V. Ishkhanov, B. S.; Orlin, V. N.; Peskov, N. N.; Stopani, K. A.

    2014-12-15

    Among key problems in nuclear astrophysics, that of obtaining deeper insight into the mechanism of synthesis of chemical elements is of paramount importance. The majority of heavy elements existing in nature are produced in stars via radiative neutron capture in so-called s- and r processes, which are, respectively, slow and fast, in relation to competing β{sup −}-decay processes. At the same time, we know 35 neutron-deficient so-called bypassed p-nuclei that lie between {sup 74}Se and {sup 196}Hg and which cannot originate from the aforementioned s- and r-processes. Their production is possible in (γ, n), (γ, p), or (γ, α) photonuclear reactions. In view of this, data on photoneutron reactions play an important role in predicting and describing processes leading to the production of p-nuclei. Interest in determining cross sections for photoneutron reactions in the threshold energy region, which is of particular importance for astrophysics, has grown substantially in recent years. The use of modern sources of quasimonoenergetic photons obtained in processes of inverse Compton laser-radiation scattering on relativistic electronsmakes it possible to reveal rather interesting special features of respective cross sections, manifestations of pygmy E1 and M1 resonances, or the production of nuclei in isomeric states, on one hand, and to revisit the problem of systematic discrepancies between data on reaction cross sections from experiments of different types, on the other hand. Data obtained on the basis of our new experimental-theoretical approach to evaluating cross sections for partial photoneutron reactions are invoked in considering these problems.

  17. The role of the reaction CO + SH {yields} COS + H in hydrogen formation in the course of interaction between CO and H{sub 2}S

    SciTech Connect

    Kurbanov, M.A.; Mamedov, Kh.F.

    1995-07-01

    It is shown that the photochemically initiated chain reaction between CO and H{sub 2}S to form H{sub 2} Occurs via the hydrogen atom abstraction from SH{sup {sm_bullet}} radicals under the action of a CO molecule: CO + SH{sup {sm_bullet}} {r_arrow} COS + H. The value of the rate constant for this reaction is evaluated.

  18. An investigation of the {anti p}p {yields} {anti {Lambda}} {Lambda} and {anti p}p {yields} {anti {Sigma}}{sup 0} {Lambda} + c.c. reactions near threshold

    SciTech Connect

    Tayloe, R.; PS185 Collaboration

    1995-12-31

    Experiment PS 185 studies the production of antihyperon-hyperon pairs in antiproton-proton collisions at LEAR in the near-threshold energy region. The {ital {anti p} p} {r_arrow} {anti {Lambda}}{Lambda} reaction has been thoroughly studied by PS185 and many high-quality data have been reported. New results, including total and differential cross sections along with spin observables, are presented here for the channels {ital {anti p} p} {r_arrow} {anti {Lambda}}{Lambda} and {ital {anti p}p} {r_arrow} {anti {Sigma}}{sup 0}{Lambda} + c.c at incident lab antiproton momenta of 1.726 and 1. 771 GeV/c. The data from the relatively unstudied and complementary {ital {anti p}p} {r_arrow} {anti {Sigma}}{sup 0}{Lambda} + c.c channel is compared to that from {ital {anti p}p} {r_arrow} {anti {Lambda}}{Lambda} at similar energies above the reaction threshold.

  19. Measurements of the mass and isotopic yields of the {sup 233}U(n{sub th},f) reaction at the Lohengrin spectrometer

    SciTech Connect

    Martin, F.; Sage, C.; Kessedjian, G.; Doligez, X.; Letourneau, A.; Materna, T.; Meplan, O.

    2011-07-01

    Over the last 10 years, a vast campaign of measurements has been initiated to improve the precision of neutron data for the involved key nuclei ({sup 232}Th, {sup 233}Pa and {sup 233}U) of the innovative Th -{sup 233}U cycle. This latter might indeed provide cleaner nuclear energy than the present U-Pu one. New measurements of charge and mass distributions of the fission products have been achieved at the Lohengrin spectrometer of the Inst. Laue-Langevin (ILL) during fall 2010 to complete the experimental data of {sup 233}U(n,f) that exist mainly for light fission fragments. That is why we performed measurements of mass and isotopic yields with a special focus on the heavy fission fragment part. Mass yields were measured by ion counting with an ionization chamber after separation by the Lohengrin spectrometer. Isotopic yields were derived from gamma spectrometry of mass-separated beams using HPGe clover detectors. This paper will present the results of these fission yield measurements along with details on the experimental set-up and the chosen analysis method. (authors)

  20. Upper bound and probable value of the rate constant of the reaction OH + HO2 yields H2O + O2

    NASA Technical Reports Server (NTRS)

    Chang, J. S.; Kaufman, F.

    1978-01-01

    Discharge-flow experiments at 295 K of the OH + HO2 reaction are described in which excess O3 is added to OH through a movable injector; OH concentration is measured downstream by resonance fluorescence with and without addition of excess NO just upstream of the detector so that both OH concentration and OH concentration + HO2 concentration are determined independently. The data are compared with a computer model involving 12 reaction steps. A simple sensitivity analysis is carried out to establish how errors in the other 'known' rate constants affect the data fit. Best agreement is obtained between computer calculations and experiments when k1 for the OH + HO2 reaction is in the range 2-3 x 10 to the -11th cu cm/s. Values above about 5 x 10 to the -11th are very unlikely whereas those below about 1 x 10 to the -11th are less strongly excluded.

  1. Upper bound and probable value of the rate constant of the reaction OH + HO2 yields H2O + O2

    NASA Technical Reports Server (NTRS)

    Chang, J. S.; Kaufman, F.

    1978-01-01

    Discharge-flow experiments at 295 K of the OH + HO2 reaction are described in which excess O3 is added to OH through a movable injector; OH concentration is measured downstream by resonance fluorescence with and without addition of excess NO just upstream of the detector so that both OH concentration and OH concentration + HO2 concentration are determined independently. The data are compared with a computer model involving 12 reaction steps. A simple sensitivity analysis is carried out to establish how errors in the other 'known' rate constants affect the data fit. Best agreement is obtained between computer calculations and experiments when k1 for the OH + HO2 reaction is in the range 2-3 x 10 to the -11th cu cm/s. Values above about 5 x 10 to the -11th are very unlikely whereas those below about 1 x 10 to the -11th are less strongly excluded.

  2. Predicted yields of new neutron-rich isotopes of nuclei with Z=64-80 in the multinucleon transfer reaction {sup 48}Ca+{sup 238}U

    SciTech Connect

    Adamian, G. G.; Antonenko, N. V.; Sargsyan, V. V.; Scheid, W.

    2010-05-15

    The production cross sections of new neutron-rich isotopes of nuclei with charge numbers Z=64-80 are estimated for future experiments in the multinucleon transfer reaction {sup 48}Ca+{sup 238}U at bombarding energy E{sub c.m.}=189 MeV close to the Coulomb barrier.

  3. Further Insight into the Reaction FeO+ + H2 Yields Fe+ + H2O: Temperature Dependent Kinetics, Isotope Effects, and Statistical Modeling (Postprint)

    DTIC Science & Technology

    2014-07-31

    garfiled.chem.elte.hu/Burcat/burcat.html (accessed August 2012). (2) Schroder, D. Gaseous Rust: Thermochemistry of Neutral and Ionic Iron Oxides and Hydroxides in the...Single-site Catalysts. Angew. Chem., Int. Ed. 2005, 44, 2336−2354. (4) Armentrout, P. B. Reactions and Thermochemistry of Small Transition Metal

  4. Search for {theta}{sup +}(1540) in Exclusive Proton-Induced Reaction p + C(N) {yields} {theta}{sup +}K-bar{sup 0} + C(N) at the Energy of 70 GeV

    SciTech Connect

    Kurshetsov, V.F.; Antipov, Yu.M.; Artamonov, A.V.; Batarin, V.A.; Eroshin, O.V.; Konstantinov, A.S.; Kozhevnikov, A.P.; Kushnirenko, A.E.; Landsberg, L.G.; Leontiev, V.M.; Molchanov, V.V.; Mukhin, V.A.; Patalakha, D.I.; Petrenko, S.V.; Vavilov, D.V.; Victorov, V.A.; Kolganov, V.Z.; Lomkatsi, G.; Nilov, A.F.; Smolyankin, V.T.

    2005-03-01

    A search for narrow {theta}{sup +}(1540), a candidate for a pentaquark baryon with positive strangeness, has been performed in an exclusive proton-induced reaction p + C(N) {yields} {theta}{sup +}K-bar{sup 0} + C(N) on carbon nuclei or quasifree nucleons at E{sub beam} = 70 GeV ({radical}(s) = 11.5 GeV) studying nK{sup +}, pK{sub S}{sup 0}, and pK{sub L}{sup 0} decay channels of {theta}{sup +}(1540) in four different final states of the {theta}{sup +}K-bar{sup 0} system. In order to assess the quality of the identification of the final states with neutron or K{sub L}{sup 0}, we reconstructed {lambda}(1520) {yields} nK{sub S}{sup 0} and {phi} {yields} K{sub L}{sup 0}K{sub S}{sup 0} decays in the calibration reactions p + C(N) {yields} {lambda}(1520)K{sup +} + C(N) and p + C(N) {yields} p{phi} + C(N). We found no evidence for a narrow pentaquark peak in any of the studied final states and decay channels. Assuming that the production characteristics of the {theta}{sup +}K-bar{sup 0} system are not drastically different from those of the {lambda}(1520)K{sup +} and p{phi} systems, we established upper limits on the cross-section ratios {sigma}({theta}{sup +}K-bar{sup 0})/{sigma}({lambda}(1520)K{sup +}) < 0.02 and {sigma}({theta}{sup +}K-bar{sup 0})/{sigma}(p{phi}) < 0.15 at 90% C.L. and a preliminary upper limit for the forward-hemisphere cross section {sigma}({theta}{sup +}K-bar{sup 0}) < 30 nb/nucleon.

  5. Some thoughts on a simple mechanism for the [sup 2]H + [sup 2]H [yields] [sup 4]He cold fusion reaction

    SciTech Connect

    Park, A.E.

    1993-11-01

    A speculative mechanism for the creation of [sup 4]He using cold fusion is proposed. The nuclear transformation can be made by the fusion of two excited rotating ground states of deuterium into a highly excited rotating ground state of [sup 4]He. Under compression and relatively stable conditions, the formation of such a bound, stretched-out pnnp state of [sup 4]He would be favored (with respect to Coulomb repulsion) over other nuclear ground states without as much angular momentum. The reaction likely occurs at the surface of palladium. A more descriptive name for this reaction is compressed-rotational-shielded (CRS) fusion. Potential experimental conditions for enhancing the initiation of CRS fusion are discussed. 8 refs., 2 figs.

  6. Estimating Reaction Cross Sections from Measured (Gamma)-Ray Yields: The 238U(n,2n) and 239Pu(n,2n) Cross Sections

    SciTech Connect

    Younes, W

    2002-11-18

    A procedure is presented to deduce the reaction-channel cross section from measured partial {gamma}-ray cross sections. In its simplest form, the procedure consists in adding complementary measured and calculated contributions to produce the channel cross section. A matrix formalism is introduced to provide a rigorous framework for this approach. The formalism is illustrated using a fictitious product nucleus with a simple level scheme, and a general algorithm is presented to process any level scheme. In order to circumvent the cumbersome algebra that can arise in the matrix formalism, a more intuitive graphical procedure is introduced to obtain the same reaction cross-section estimate. The features and limitations of the method are discussed, and the technique is applied to extract the {sup 235}U (n,2n) and {sup 239}Pu(n,2n) cross sections from experimental partial {gamma}-ray cross sections, coupled with (enhanced) Hauser-Feshbach calculations.

  7. Use of Monte Carlo techniques to derive yields for n + sup 12 C multibody breakup reactions: Programming the computer to simulate collisions by fast neutrons

    SciTech Connect

    Dickens, J.K. )

    1989-11-01

    A computer experiment'' using Monte Carlo sampling methods has been designed to simulate the breaking up of {sup 12}C by medium-energy neutrons into final reaction channels having 2, 3, or 4 outgoing charged particles. The calculational nuclear physics concept used in the experiment'' is one of a sequentially decaying, highly excited compound nucleus. Two methods of Monte Carlo sampling, the rejection method and the cumulative-distribution method, are discussed as applied to probability functions developed in the program.

  8. Reactions of ions in excited electronic states - Excited N2/+/ ion reacting with N2 to yield N3/+/ and N

    NASA Technical Reports Server (NTRS)

    Bowers, M. T.; Kemper, P. R.; Laudenslager, J. B.

    1974-01-01

    Study of the mechanism of formation of the N3(+) ion from the bimolecular reaction of excited N2(+) ions in gaseous N2. Using ion cyclotron resonance spectroscopy, an attempt is made to inquire more deeply than hitherto into the origin of the N3(+) ions and to determine the rate constant for their formation and the limits on the lifetime of the reactant excited N2(+) ions.

  9. Effect of the substrate concentration and water activity on the yield and rate of the transfer reaction of β-galactosidase from Bacillus circulans.

    PubMed

    Gosling, Aaron; Stevens, Geoff W; Barber, Andrew R; Kentish, Sandra E; Gras, Sally L

    2011-04-13

    Prebiotic galactosyl oligosaccharides (GOS) are produced from lactose by the enzyme β-galactosidase. It is widely reported that the highest GOS levels are achieved when the initial lactose concentration is as high as possible; however, little evidence has been presented to explain this phenomenon. Using a system composed of the commercial β-galactosidase derived from Bacillus circulans known as Biolacta FN5, lactose and sucrose, the relative contribution of water activity, and substrate availability were assessed. Oligosaccharide levels did not appear to be affected by changes in water activity between 1.0 and 0.77 at a constant lactose concentration. The maximum oligosaccharide concentration increased at higher initial concentrations of lactose and sucrose, while initial reaction rates for transfer increased but remained constant for hydrolysis. This suggests that the high oligosaccharide levels achieved at the raised initial saccharide concentration are due to increases in reactions that form oligosaccharides rather than decreases in concurrent reactions, which degrade oligosaccharides. There were different effects from changing the initial concentration of lactose compared to sucrose, suggesting that the ability of lactose to act as a donor saccharide may be more important for increasing maximum oligosaccharide concentrations than the combined ability of both saccharides to act as galactosyl acceptors.

  10. Enantioselective, continuous (R)- and (S)-2-butanol synthesis: achieving high space-time yields with recombinant E. coli cells in a micro-aqueous, solvent-free reaction system.

    PubMed

    Erdmann, Vanessa; Mackfeld, Ursula; Rother, Dörte; Jakoblinnert, Andre

    2014-12-10

    The stereoselective production of (R)- or (S)-2-butanol is highly challenging. A potent synthesis strategy is the biocatalytic asymmetric reduction of 2-butanone applying alcohol dehydrogenases. However, due to a time-dependent racemisation process, high stereoselectivity is only obtained at incomplete conversion after short reaction times. Here, we present a solution to this problem: by using a continuous process, high biocatalytic selectivity can be achieved while racemisation is suppressed successfully. Furthermore, high conversion was achieved by applying recombinant, lyophilised E. coli cells hosting Lactobacillus brevis alcohol dehydrogenase in a micro-aqueous solvent-free continuous reaction system. The optimisation of residence time (τ) and 2-butanone concentration boosted both conversion (>99%) and enantiomeric excess (ee) of (R)-2-butanol (>96%). When a residence time of only τ=3.1 min was applied, productivity was extraordinary with a space-time yield of 2278±29g/(L×d), thus exceeding the highest values reported to date by a factor of more than eight. The use of E. coli cells overexpressing an ADH of complementary stereoselectivity yielded a synthesis strategy for (S)-2-butanol with an excellent ee (>98%). Although conversion was only moderate (up to 46%), excellent space-time yields of up to 461g/(L×d) were achieved. The investigated concept represents a synthesis strategy that can also be applied to other biocatalytic processes where racemisation poses a challenge. Copyright © 2014 Elsevier B.V. All rights reserved.

  11. HCl yield and chemical kinetics study of the reaction of Cl atoms with CH3I at the 298K temperature using the infra-red tunable diode laser absorption spectroscopy.

    PubMed

    Sharma, R C; Blitz, M; Wada, R; Seakins, P W

    2014-07-15

    Pulsed ArF excimer laser (193 nm)-CW infrared (IR) tunable diode laser Herriott type absorption spectroscopic technique has been made for the detection of product hydrochloric acid HCl. Absorption spectroscopic technique is used in the reaction chlorine atoms with methyl iodide (Cl+CH3I) to the study of kinetics on reaction Cl+CH3I and the yield of (HCl). The reaction of Cl+CH3I has been studied with the support of the reaction Cl+C4H10 (100% HCl) at temperature 298 K. In the reaction Cl+CH3I, the total pressure of He between 20 and 125 Torr at the constant concentration of [CH3I] 7.0×10(14) molecule cm(-3). In the present work, we estimated adduct formation is very important in the reaction Cl+CH3I and reversible processes as well and CH3I molecule photo-dissociated in the methyl [CH3] radical. The secondary chemistry has been studied as CH3+CH3ICl = product, and CH3I+CH3ICl = product2. The system has been modeled theoretically for secondary chemistry in the present work. The calculated and experimentally HCl yield nearly 65% at the concentration 1.00×10(14) molecule cm(-3) of [CH3I] and 24% at the concentration 4.0×10(15) molecule cm(-3) of [CH3I], at constant concentration 4.85×10(12) molecule cm(-3) of [CH3], and at 7.3×10(12) molecule cm(-3) of [Cl]. The pressure dependent also studied product of HCl at the constant [CH3], [Cl] and [CH3I]. The experimental results are also very good matching with the modelling work at the reaction CH3+CH3ICl = product (k = (2.75±0.35)×10(-10) s(-1)) and CH3I+CH3ICl = product2 (k = 1.90±0.15)×10(-12) s(-1). The rate coefficients of the reaction CH3+CH3ICl and CH3I+CH3ICl has been made in the present work. The experimental results has been studied by two method (1) phase locked and (2) burst mode. Copyright © 2014 Elsevier B.V. All rights reserved.

  12. The reactions of Cr(CO)6, Fe(CO)5, and Ni(CO)4 with O2 yield viable oxo-metal carbonyls.

    PubMed

    Sun, Zhi; Schaefer, Henry F; Xie, Yaoming; Liu, Yongdong; Zhong, Rugang

    2014-05-15

    Transition metal complexes with terminal oxo and dioxygen ligands exist in metal oxidation reactions, and many are key intermediates in various catalytic and biological processes. The prototypical oxo-metal [(OC)5Cr-O, (OC)4Fe-O, and (OC)3 Ni-O] and dioxygen-metal carbonyls [(OC)5Cr-OO, (OC)4Fe-OO, and (OC)3Ni-OO] are studied theoretically. All three oxo-metal carbonyls were found to have triplet ground states, with metal-oxo bond dissociation energies of 77 (Cr-O), 74 (Fe-O), and 51 (Ni-O) kcal/mol. Natural bond orbital and quantum theory of atoms in molecules analyses predict metal-oxo bond orders around 1.3. Their featured ν(MO, M = metal) vibrational frequencies all reflect very low IR intensities, suggesting Raman spectroscopy for experimental identification. The metal interactions with O2 are much weaker [dissociation energies 13 (Cr-OO), 21 (Fe-OO), and 4 (Ni-OO) kcal/mol] for the dioxygen-metal carbonyls. The classic parent compounds Cr(CO)6, Fe(CO)5, and Ni(CO)4 all exhibit thermodynamic instability in the presence of O2 , driven to displacement of CO to form CO2. The latter reactions are exothermic by 47 [Cr(CO)6], 46 [Fe(CO)5], and 35 [Ni(CO)4] kcal/mol. However, the barrier heights for the three reactions are very large, 51 (Cr), 39 (Fe), and 40 (Ni) kcal/mol. Thus, the parent metal carbonyls should be kinetically stable in the presence of oxygen. Copyright © 2014 Wiley Periodicals, Inc.

  13. Measurements of the neutron yields from 7Li(p,n)7Be reaction (thick target) with incident energies from 1.885 to 2.0 MeV.

    PubMed

    Yu, W; Yue, G; Han, X; Chen, J; Tian, B

    1998-07-01

    Accelerator-based neutron source have been considered to be practical for boron neutron capture therapy (BNCT). Based on experience with a parameters of the Brookhaven National Laboratory BMRR reactor neutron source, which has been used in treatment experiments, the future accelerator-based neutron source for BNCT should have the properties of low energy distribution (< 100 keV) and high flux (about 10(9) neutrons per second per square centimeter) in the patient zone. Using protons to bombard thick 7Li targets, generating neutrons via the 7Li(p,n)7Be reaction, is one of the optimal choices for this kind of neutron source. Neutron yield data versus incident energy are necessary in order to select the proper incident energy and for estimating how high the incident proton current should be. The required proton beam current intensity is one of the key parameters for an accelerator useful for BNCT. In the present work, neutron yields of the 7Li(p,n)7Be reaction with a thick lithium target and incident energies of 1.885 and 1.9 MeV were measured at 0 degree with respect to the incident beam direction. The results are (3.08 +/- 0.17) x 10(12) and (5.71 +/- 0.32) x 10(12) neutrons/C sr, respectively. Neutron yield angular distribution measurements at 2 MeV incident energy were also performed. The proton beams were generated by the Peking University 4.5 MV electrostatic accelerator. The emitted neutrons from these reactions have the advantages of low energy distribution and forward angular distribution, which are requirements for a BNCT neutron source. The data obtained in this work can be used as a reference to study the accelerator-based neutron sources for BNCT.

  14. Analysis of the kinetics and yields of OH radical production from the CH3OCH2 + O2 reaction in the temperature range 195-650 K: an experimental and computational study.

    PubMed

    Eskola, A J; Carr, S A; Shannon, R J; Wang, B; Blitz, M A; Pilling, M J; Seakins, P W; Robertson, S H

    2014-08-28

    The methoxymethyl radical, CH3OCH2, is an important intermediate in the low temperature combustion of dimethyl ether. The kinetics and yields of OH from the reaction of the methoxymethyl radical with O2 have been measured over the temperature and pressure ranges of 195-650 K and 5-500 Torr by detecting the hydroxyl radical using laser-induced fluorescence following the excimer laser photolysis (248 nm) of CH3OCH2Br. The reaction proceeds via the formation of an energized CH3OCH2O2 adduct, which either dissociates to OH + 2 H2CO or is collisionally stabilized by the buffer gas. At temperatures above 550 K, a secondary source of OH was observed consistent with thermal decomposition of stabilized CH3OCH2O2 radicals. In order to quantify OH production from the CH3OCH2 + O2 reaction, extensive relative and absolute OH yield measurements were performed over the same (T, P) conditions as the kinetic experiments. The reaction was studied at sufficiently low radical concentrations (∼10(11) cm(-3)) that secondary (radical + radical) reactions were unimportant and the rate coefficients could be extracted from simple bi- or triexponential analysis. Ab initio (CBS-GB3)/master equation calculations (using the program MESMER) of the CH3OCH2 + O2 system were also performed to better understand this combustion-related reaction as well as be able to extrapolate experimental results to higher temperatures and pressures. To obtain agreement with experimental results (both kinetics and yield data), energies of the key transition states were substantially reduced (by 20-40 kJ mol(-1)) from their ab initio values and the effect of hindered rotations in the CH3OCH2 and CH3OCH2OO intermediates were taken into account. The optimized master equation model was used to generate a set of pressure and temperature dependent rate coefficients for the component nine phenomenological reactions that describe the CH3OCH2 + O2 system, including four well-skipping reactions. The rate coefficients were

  15. Alkyl nitrate formation from the reactions of C8-C14 n-alkanes with OH radicals in the presence of NO(x): measured yields with essential corrections for gas-wall partitioning.

    PubMed

    Yeh, Geoffrey K; Ziemann, Paul J

    2014-09-18

    In this study, C8-C14 n-alkanes were reacted with OH radicals in the presence of NO(x) in a Teflon film environmental chamber and isomer-specific yields of alkyl nitrates were determined using gas chromatography. Because results indicated significant losses of alkyl nitrates to chamber walls, gas-wall partitioning was investigated by monitoring the concentrations of a suite of synthesized alkyl nitrates added to the chamber. Gas-to-wall partitioning increased with increasing carbon number and with proximity of the nitrooxy group to the terminal carbon, with losses as high as 86%. The results were used to develop a structure-activity model to predict the effects of carbon number and isomer structure on gas-wall partitioning, which was used to correct the measured yields of alkyl nitrate isomers formed in chamber reactions. The resulting branching ratios for formation of secondary alkyl nitrates were similar for all isomers of a particular carbon number, and average values, which were almost identical to alkyl nitrate yields, were 0.219, 0.206, 0.254, 0.291, and 0.315 for reactions of n-octane, n-decane, n-dodecane, n-tridecane, and n-tetradecane, respectively. The increase in average branching ratios and alkyl nitrate yields with increasing carbon number to a plateau value of ∼0.30 at about C13-C14 is consistent with predictions of a previously developed model, indicating that the model is valid for alkane carbon numbers ≥C3.

  16. All-electron molecular Dirac-Hartree-Fock calculations - Properties of the XH4 and XH2 molecules and the reaction energy XH4 yields XH2 + H2, X = Si, Ge, Sn, Pb

    NASA Technical Reports Server (NTRS)

    Dyall, Kenneth G.

    1992-01-01

    Relativistic corrections to a number of properties of the Group IV hydrides are calculated using the Dirac-Hartree-Fock method. The use of first-order perturbation theory is sufficient to obtain relativistic corrections for Ge, but the effects of spin-orbit interaction and other higher-order effects begin to show for Sn and become important for Pb. The energy of the reaction XH4 yields XH2 + H2 (X = Si, Ge, Sn, and Pb) is also calculated. The results are compared with relativistic effective core potential calculations, first-order perturbation theory calculations, and limited experimental data.

  17. All-electron molecular Dirac-Hartree-Fock calculations - Properties of the XH4 and XH2 molecules and the reaction energy XH4 yields XH2 + H2, X = Si, Ge, Sn, Pb

    NASA Technical Reports Server (NTRS)

    Dyall, Kenneth G.

    1992-01-01

    Relativistic corrections to a number of properties of the Group IV hydrides are calculated using the Dirac-Hartree-Fock method. The use of first-order perturbation theory is sufficient to obtain relativistic corrections for Ge, but the effects of spin-orbit interaction and other higher-order effects begin to show for Sn and become important for Pb. The energy of the reaction XH4 yields XH2 + H2 (X = Si, Ge, Sn, and Pb) is also calculated. The results are compared with relativistic effective core potential calculations, first-order perturbation theory calculations, and limited experimental data.

  18. Aerosol-chamber study of the α-pinene/O 3 reaction: influence of particle acidity on aerosol yields and products

    NASA Astrophysics Data System (ADS)

    Iinuma, Yoshiteru; Böge, Olaf; Gnauk, Thomas; Herrmann, Hartmut

    α-Pinene ozonolysis was carried out in the presence of ammonium sulfate or sulfuric acid seed particles in a 9 m 3 Teflon chamber at the mixing ratios of 100 ppbv for α-pinene and about 70 ppbv for ozone. The evolution of size distribution was measured by means of a differential mobility particle sizer (DMPS). The resulting secondary organic aerosol (SOA) was sampled by a denuder/quartz fiber filter combination for the determination of the total organic carbon concentration (TOC) in the particle phase, using a thermographic method and by a denuder/PTFE filter combination for the analysis of individual chemical species in the particle phase using capillary electrophoresis-electrospray ionization-mass spectrometry (CE-ESI-MS). cis-Pinic acid ( m/ z 185) and another species tentatively identified at m/ z 171 and 199 were the major particle phase species for both seed particles although the product yields were different, indicating the influence of seed particle acidity. A thermographic method for the determination of TOC showed an increase of particle phase organics by 40% for the experiments with higher acidity. CE-ESI-MS analysis showed a large increase in the concentration of compounds with Mw>300 from the experiments with sulfuric acid seed particles. These results suggest that the seed particle acidity enhances the yield of SOA and plays an important role in the formation of larger molecules in the particle phase. Our results from direct particle phase chemical analysis suggest for the first time that condensation of smaller organics takes place by polymerization or aldol condensation following the formation of aldehydes, such as pinonaldehyde from the terpene ozonolysis.

  19. Determination of O2(a1 delta g) and O2(b1 sigma+ g) yields in the reaction O + ClO --> Cl + O2: implications for photochemistry in the atmosphere of Venus

    NASA Technical Reports Server (NTRS)

    Leu, M. T.; Yung, Y. L.

    1987-01-01

    A discharge flow apparatus with chemiluminescence detector has been used to study the reaction O + ClO --> Cl + O2, where O2 = O2(a1 delta g) or O2(b1 sigma+ g). The measured quantum yields for producing O2(a1 delta g) and O2(b1 sigma+ g) in the above reaction are less than 2.5 x 10(-2) and equal to (4.4 +/- 1.1) x 10(-4), respectively. The observed O2(a1 delta g) airglow of Venus cannot be explained in the context of standard photochemistry using our experimental results and those reported in recent literature. The possibility of an alternative source of O atoms derived from SO2 photolysis in the mesosphere of Venus is suggested.

  20. Determination of O2(a1 delta g) and O2(b1 sigma+ g) yields in the reaction O + ClO --> Cl + O2: implications for photochemistry in the atmosphere of Venus

    NASA Technical Reports Server (NTRS)

    Leu, M. T.; Yung, Y. L.

    1987-01-01

    A discharge flow apparatus with chemiluminescence detector has been used to study the reaction O + ClO --> Cl + O2, where O2 = O2(a1 delta g) or O2(b1 sigma+ g). The measured quantum yields for producing O2(a1 delta g) and O2(b1 sigma+ g) in the above reaction are less than 2.5 x 10(-2) and equal to (4.4 +/- 1.1) x 10(-4), respectively. The observed O2(a1 delta g) airglow of Venus cannot be explained in the context of standard photochemistry using our experimental results and those reported in recent literature. The possibility of an alternative source of O atoms derived from SO2 photolysis in the mesosphere of Venus is suggested.

  1. Analysis of the effect of temperature and reaction time on yields, compositions and oil quality in catalytic and non-catalytic lignin solvolysis in a formic acid/water media using experimental design.

    PubMed

    Oregui Bengoechea, Mikel; Miletíc, Nemanja; Vogt, Mari H; Arias, Pedro L; Barth, Tanja

    2017-03-01

    The catalytic solvolysis of Norway spruce (Picea abies L.) lignin in a formic acid/water media was explored at different temperatures and reaction times (283-397°C and 21-700min, respectively). Non-catalyzed experiments were compared with the effect of three different type of bifunctional catalysts (Pd/Al2O3, Rh/Al2O3 and Ru/Al2O3) and a solid Lewis acid (γ-Al2O3). We demonstrated that surface response methodology (RSM) and principal component analysis (PCA) were an adequate tool to: (i) evaluate the effect of the catalysts, temperature and reaction time in the oil yield, oil quality (H/C and O/C ratios, and Mw) and composition of the oil, (ii) establish the differences and/or similarities between the three bifunctional catalyst and (iii) to determine the role of the noble metal and the alumina support in the reaction system. In addition, the most active catalysts, Ru/Al2O3, and the optimum reaction conditions were determined (i.e. 340°C and 6h).

  2. Reaction dynamics of V(a {sup 4}F{sub J})+NO{yields}VO(X {sup 4}{sigma}{sup -})+N studied by a crossed-beam laser-induced fluorescence technique

    SciTech Connect

    Ishida, M.; Yamashiro, R.; Matsumoto, Y.; Honma, Kenji

    2006-05-28

    The dynamics of the reaction, V(a {sup 4}F{sub J})+NO{yields}VO(X {sup 4}{sigma}{sup -})+N was studied by using a crossed-beam technique at 16.4 kJ/mol of collision energy. The V atomic beam was generated by laser vaporization and crossed with the O{sub 2} beam at a right angle. The laser-induced fluorescence (LIF) for the transition of VO(B {sup 4}{pi}-X {sup 4}{sigma}) was used to determine the rotational state distribution of the reaction product in the vibrational ground state. Almost pure V(a {sup 4}F{sub J}) beam was obtained by using the mixture of NH{sub 3} with N{sub 2} as a carrier gas. Comparing the LIF spectra of VO measured for two carrier gases, i.e., NH{sub 3}/N{sub 2} and pure N{sub 2}, it was concluded that the vibrational ground state of VO(X {sup 4}{sigma}{sup -}) is formed almost entirely from the reaction of V(a {sup 4}F{sub J}) and the contribution of the metastable V(a {sup 6}D{sub J}) is negligible. The observed rotational distribution was similar to a statistical prior prediction, and suggested that the title reaction proceeds via a long-lived intermediate, which is consistent with an electron transfer mechanism.

  3. Effects of the rotational excitation of D{sub 2} and of the potential energy surface on the H{sup +}+D{sub 2}{yields}HD+D{sup +} reaction

    SciTech Connect

    Gonzalez-Lezana, T.; Honvault, P.; Jambrina, P. G.; Aoiz, F. J.; Launay, J.-M.

    2009-07-28

    The H{sup +}+D{sub 2}{yields}HD+D{sup +} reaction has been theoretically investigated by means of an exact quantum mechanical approach, a quasiclassical trajectory method, and two statistical methods based in the propagation of either wave functions or trajectories. The study addresses the possible changes on the overall dynamics of the title reaction when the D{sub 2} diatom is rotationally excited to its v=0, j=1 state. In addition, the reactivity for the ground rotational state on two different potential energy surfaces (PESs), namely, the surface by Aguado et al. [J. Chem. Phys. 112, 1240 (2000)] and the PES by Kamisaka et al. [J. Chem. Phys. 116, 654 (2002)], is examined. Reaction probabilities and cross sections at 0.524 and 0.1 eV collision energies are calculated. The major differences with respect to the reaction initiated with D{sub 2} in its ground rovibrational state are observed for the lowest collision energy E{sub c}=0.1 eV. Differential cross sections have been found to depend to some extend on the PES employed. In addition, at E{sub c}=0.1 eV further discrepancies in the total and rotational cross sections are noticeable.

  4. Application of quantitative 19F and 1H NMR for reaction monitoring and in situ yield determinations for an early stage pharmaceutical candidate.

    PubMed

    Do, Nga M; Olivier, Mark A; Salisbury, John J; Wager, Carrie B

    2011-11-15

    Quantitative NMR spectrometry (qNMR) is an attractive, viable alternative to traditional chromatographic techniques. It is a fast, easy, accurate, and nondestructive technique which allows an analyst to gain quantitative information about a component mixture without the necessity of authentic reference materials, as is the case with most other analytical techniques. This is ideal for the synthesis of active pharmaceutical ingredients (API) that are in the early stages of development where authentic standards of the analytes may not be available. In this paper, the application of (19)F and (1)H qNMR for reaction monitoring and in situ potency determinations will be discussed for an early stage pharmaceutical candidate with several analytical challenges. These challenges include low UV absorption, low ionization, thermal instability, and lack of authentic reference standards. Quantitative NMR provided quick, fit-for-purpose solutions for process development where conventional separation techniques were limited.

  5. Absolute rate constant of the reaction OH + H2O2 yields HO2 + H2O from 245 to 423 K

    NASA Technical Reports Server (NTRS)

    Keyser, L. F.

    1980-01-01

    The absolute rate constant of the reaction between the hydroxyl radical and hydrogen peroxide was measured by using the discharge-flow resonance fluorescence technique at total pressure between 1 and 4 torr. At 298 K the result is (1.64 + or - 0.32) x 10 to the -12th cu cm/molecule s. The observed rate constant is independent of pressure, surface-to-volume ratio, the addition of vibrational quenchers, and the source of OH. The temperature dependence has also been determined between 245 and 423 K; the resulting Arrhenius expression is k cu cm/molecule s is equal to (2.51 + or - 0.6) x 10 to the -12th exp(-126 + or - 76/T).

  6. An investigation of the role of water on retrograde/condensation reactions and enhanced liquefaction yields. Quarterly progress report, April 1, 1992--June 30, 1992

    SciTech Connect

    Miknis, F.P.

    1992-07-01

    The overall objectives of this work are to conduct research that will provide the basis for an improved liquefaction process, and to facilitate our understanding of those processes that occur when coals are initially dissolved. Changes in coal structure that occur during coal drying and steam pretreatments will be measured in order to determine what effect water has on retrograde/condensation reactions, and to determine the mechanism by which water enhances coal reactivity toward liquefaction. Different methods for coal drying will be investigated to determine if drying can be accomplished without destroying coal reactivity toward liquefaction, thereby making coal drying a relatively economical and efficient method for coal pretreatment. Coal drying methods will include conventional thermal drying, microwave drying, and chemical drying at low temperature. State-of-the-art solid-state nuclear magnetic resonance (NMR) techniques using combined rotation and multiple pulse spectroscopy (CRAMPS) and cross polarization with magic-angle spinning (CP/MAS) will be employed: (1) to measures changes in coal structure brought about by the different methods of drying and by low temperature oxidation, and (2) to obtain direct measurements of changes in the aromatic hydrogen-to-carbon ratio of the solid/semi-solid material formed or remaining during pretreatment and the initial stages of liquefaction. The aromatic hydrogen-to-carbon ratios are difficult, if not impossible, to measure without the use of solid-state NMR, and as a result this ratio will be used to monitor the retrograde/condensation reactions that take place during coal liquefaction in the presence and absence of steam and various inert gases.

  7. NADPH-cytochrome P450 reductase-mediated denitration reaction of 2,4,6-trinitrotoluene to yield nitrite in mammals.

    PubMed

    Shinkai, Yasuhiro; Nishihara, Yuya; Amamiya, Masahiro; Wakayama, Toshihiko; Li, Song; Kikuchi, Tomohiro; Nakai, Yumi; Shimojo, Nobuhiro; Kumagai, Yoshito

    2016-02-01

    While the biodegradation of 2,4,6-trinitrotoluene (TNT) via the release of nitrite is well established, mechanistic details of the reaction in mammals are unknown. To address this issue, we attempted to identify the enzyme from rat liver responsible for the production of nitrite from TNT. A NADPH-cytochrome P450 reductase (P450R) was isolated and identified from rat liver microsomes as the enzyme responsible for not only the release of nitrite from TNT but also formation of superoxide and 4-hydroxyamino-2,6-dinitrotoluene (4-HADNT) under aerobic conditions. In this context, reactive oxygen species generated during P450R-catalyzed TNT reduction were found to be, at least in part, a mediator for the production of 4-HADNT from TNT via formation of 4-nitroso-2,6-dinitrotoluene. P450R did not catalyze the formation of the hydride-Meisenheimer complex (H(-)-TNT) that is thought to be an intermediate for nitrite release from TNT. Furthermore, in a time-course experiment, 4-HADNT formation reached a plateau level and then declined during the reaction between TNT and P450R with NADPH, while the release of nitrite was subjected to a lag period. Notably, the produced 4-HADNT can react with the parent compound TNT to produce nitrite and dimerized products via formation of a Janovsky complex. Our results demonstrate for the first time that P450R-mediated release of nitrite from TNT results from the process of chemical interaction of TNT and its 4-electron reduction metabolite 4-HADNT. Copyright © 2015 Elsevier Inc. All rights reserved.

  8. Atmospheric chemistry of CF3CF═CH2 and (Z)-CF3CF═CHF: Cl and NO3 rate coefficients, Cl reaction product yields, and thermochemical calculations.

    PubMed

    Papadimitriou, Vassileios C; Lazarou, Yannis G; Talukdar, Ranajit K; Burkholder, James B

    2011-01-20

    Rate coefficients, k, for the gas-phase reactions of Cl atoms and NO(3) radicals with 2,3,3,3-tetrafluoropropene, CF(3)CF═CH(2) (HFO-1234yf), and 1,2,3,3,3-pentafluoropropene, (Z)-CF(3)CF═CHF (HFO-1225ye), are reported. Cl-atom rate coefficients were measured in the fall-off region as a function of temperature (220-380 K) and pressure (50-630 Torr; N(2), O(2), and synthetic air) using a relative rate method. The measured rate coefficients are well represented by the fall-off parameters k(0)(T) = 6.5 × 10(-28) (T/300)(-6.9) cm(6) molecule(-2) s(-1) and k(∞)(T) = 7.7 × 10(-11) (T/300)(-0.65) cm(3) molecule(-1) s(-1) for CF(3)CF═CH(2) and k(0)(T) = 3 × 10(-27) (T/300)(-6.5) cm(6) molecule(-2) s(-1) and k(∞)(T) = 4.15 × 10(-11) (T/300)(-0.5) cm(3) molecule(-1) s(-1) for (Z)-CF(3)C═CHF with F(c) = 0.6. Reaction product yields were measured in the presence of O(2) to be (98 ± 7)% for CF(3)C(O)F and (61 ± 4)% for HC(O)Cl in the CF(3)CF═CH(2) reaction and (108 ± 8)% for CF(3)C(O)F and (112 ± 8)% for HC(O)F in the (Z)-CF(3)CF═CHF reaction, where the quoted uncertainties are 2σ (95% confidence level) and include estimated systematic errors. NO(3) reaction rate coefficients were determined using absolute and relative rate methods. Absolute measurements yielded upper limits for both reactions between 233 and 353 K, while the relative rate measurements yielded k(3)(295 K) = (2.6 ± 0.25) × 10(-17) cm(3) molecule(-1) s(-1) and k(4)(295 K) = (4.2 ± 0.5) × 10(-18) cm(3) molecule(-1) s(-1) for CF(3)CF═CH(2) and (Z)-CF(3)CF═CHF, respectively. The Cl-atom reaction with CF(3)CF═CH(2) and (Z)-CF(3)CF═CHF leads to decreases in their atmospheric lifetimes and global warming potentials and formation of a chlorine-containing product, HC(O)Cl, for CF(3)CF═CH(2). The NO(3) reaction has been shown to have a negligible impact on the atmospheric lifetimes of CF(3)CF═CH(2) and (Z)-CF(3)CF═CHF. The energetics for the reaction of Cl, NO(3), and OH with CF

  9. Search for the {theta}{sup +} Pentaquark in the Reaction {gamma}d{yields}pK{sup 0}K{sup -}(p) with CLAS

    SciTech Connect

    Baltzell, Nathan A.

    2007-10-26

    A search for photo-production of the {theta}{sup +}(1540) pentaquark and its decay to pK{sup 0} was performed with the CLAS detector system at Jefferson Lab. In the exclusive channel {gamma}d{yields}pK{sup 0}{sub s}K{sup -}(p), about twenty-thousand events with a slow missing proton, {pi}{sup +}{pi}{sup -} decay of the neutral kaon, and photon energy between 1.6 and 3.6 GeV are fully reconstructed. Included are numerous hyperon and meson resonances, with their decays to pK{sup -} and K{sup 0}K{sup -} respectively. To understand the possibility of a pentaquark signal amidst the backgrounds, a phenomenological isobar-inspired model of complex Breit-Wigner amplitudes and decay angular distributions for the resonances is fit to the data with a maximum likelihood method. No pentaquark signal is found above the background. The upper limit on the total production cross section is measured to be consistent with other channels published by the collaboration, but systematic studies are still in progress.

  10. Rapid assembly of a library of lipophilic iminosugars via the thiol-ene reaction yields promising pharmacological chaperones for the treatment of Gaucher disease.

    PubMed

    Goddard-Borger, Ethan D; Tropak, Michael B; Yonekawa, Sayuri; Tysoe, Christina; Mahuran, Don J; Withers, Stephen G

    2012-03-22

    A highly divergent route to lipophilic iminosugars that utilizes the thiol-ene reaction was developed to enable the rapid synthesis of a collection of 16 dideoxyiminoxylitols bearing various different lipophilic substituents. Enzyme kinetic analyses revealed that a number of these products are potent, low-nanomolar inhibitors of human glucocerebrosidase that stabilize the enzyme to thermal denaturation by up to 20 K. Cell based assays conducted on Gaucher disease patient derived fibroblasts demonstrated that administration of the compounds can increase lysosomal glucocerebrosidase activity levels by therapeutically relevant amounts, as much as 3.2-fold in cells homozygous for the p.N370S mutation and 1.4-fold in cells homozygous for the p.L444P mutation. Several compounds elicited this increase in enzyme activity over a relatively wide dosage range. The data assembled here illustrate how the lipophilic moiety common to many glucocerebrosidase inhibitors might be used to optimize a lead compound's ability to chaperone the protein in cellulo. The flexibility of this synthetic strategy makes it an attractive approach to the rapid optimization of glycosidase inhibitor potency and pharmacokinetic behavior.

  11. Indication of a Deeply Bound and Compact K{sup -}pp State Formed in the pp{yields}p{Lambda}K{sup +} Reaction at 2.85 GeV

    SciTech Connect

    Yamazaki, T.; Maggiora, M.; Amoroso, A.; Alexeev, M.; Balestra, F.; Bussa, M. P.; Colantoni, M. L.; Ferrero, L.; Garfagnini, R.; Grasso, A.; Maggiora, A.; Sosio, S.; Kienle, P.; Suzuki, K.; Bedfer, Y.; Brochard, F.; Faivre, J.-Cl.; Bertini, R.; Heinz, S.; Bland, L. C.

    2010-04-02

    We have analyzed data of the DISTO experiment on the exclusive pp{yields}p{Lambda}K{sup +} reaction at 2.85 GeV to search for a strongly bound compact K{sup -}pp({identical_to}X) state to be formed in the pp{yields}K{sup +}+X reaction. The observed spectra of the K{sup +} missing mass and the p{Lambda} invariant-mass with high transverse momenta of p and K{sup +} revealed a broad distinct peak of 26-{sigma} confidence with a mass M{sub X}=2267{+-}3(stat){+-}5(syst) MeV/c{sup 2} and a width {Gamma}{sub X}=118{+-}8(stat){+-}10(syst) MeV. The enormously large cross section indicates formation of a compact K{sup -}pp with a large binding energy of B{sub K}=103 MeV, which can be a possible gateway toward cold and dense kaonic nuclear matter.

  12. Generalized Dalitz plot analysis of the near-threshold pp{yields}ppK{sup +}K{sup -} reaction in view of the K{sup +}K{sup -} final state interaction

    SciTech Connect

    Silarski, M.; Czyzykiewicz, R.; Gil, D.; Jarczyk, L.; Kamys, B.; Smyrski, J.; Zielinski, M.; Zdebik, J.; Moskal, P.; Czerwinski, E.; Klaja, J.; Klaja, P.; Krzemien, W.; Grzonka, D.; Oelert, W.; Ritman, J.; Sefzick, T.; Wolke, M.; Wuestner, P.; Khoukaz, A.

    2009-10-15

    The excitation function for the pp{yields}ppK{sup +}K{sup -} reaction revealed a significant enhancement close to threshold that may plausibly be assigned to the influence of the pK{sup -} and K{sup +}K{sup -} final-state interactions. In an improved reanalysis of COSY-11 data for the pp{yields}ppK{sup +}K{sup -} reaction at excess energies of Q=10 and 28 MeV, including the proton-K{sup -} interaction, the enhancement is confirmed. Invariant mass distributions for the two- and three-particle subsystems allow us to test at low excess energies the ansatz and parameters for the description of the interaction in the ppK{sup +}K{sup -} system as derived from the COSY-ANKE data. Finally, based for the first time on the low-energy K{sup +}K{sup -} invariant mass distributions and the generalized Dalitz plot analysis, we estimate the scattering length for the K{sup +}K{sup -} interaction to be |Re(a{sub K{sup +}}{sub K{sup -}})|=0.5{sub -0.5}{sup +4.0} fm and Im(a{sub K{sup +}}{sub K{sup -}})=3.0{+-}3.0 fm.

  13. High-dynamic-range neutron time-of-flight detector used to infer the D(t,n)(4)He and D(d,n)(3)He reaction yield and ion temperature on OMEGA.

    PubMed

    Forrest, C J; Glebov, V Yu; Goncharov, V N; Knauer, J P; Radha, P B; Regan, S P; Romanofsky, M H; Sangster, T C; Shoup, M J; Stoeckl, C

    2016-11-01

    Upgraded microchannel-plate-based photomultiplier tubes (MCP-PMT's) with increased stability to signal-shape linearity have been implemented on the 13.4-m neutron time-of-flight (nTOF) detector at the Omega Laser Facility. This diagnostic uses oxygenated xylene doped with diphenyloxazole C15H11NO + p-bis-(o-methylstyryl)-benzene (PPO + bis-MSB) wavelength shifting dyes and is coupled through four viewing ports to fast-gating MCP-PMT's, each with a different gain to allow one to measure the light output over a dynamic range of 1 × 10(6). With these enhancements, the 13.4-m nTOF can measure the D(t,n)(4)He and D(d,n)(3)He reaction yields and average ion temperatures in a single line of sight. Once calibrated for absolute neutron sensitivity, the nTOF detectors can be used to measure the neutron yield from 1 × 10(9) to 1 × 10(14) and the ion temperature with an accuracy approaching 5% for both the D(t,n)(4)He and D(d,n)(3)He reactions.

  14. High-dynamic-range neutron time-of-flight detector used to infer the D(t,n){sup 4}He and D(d,n){sup 3}He reaction yield and ion temperature on OMEGA

    SciTech Connect

    Forrest, C. J. Glebov, V. Yu.; Goncharov, V. N.; Knauer, J. P.; Radha, P. B.; Regan, S. P.; Romanofsky, M. H.; Sangster, T. C.; Shoup, M. J.; Stoeckl, C.

    2016-11-15

    Upgraded microchannel-plate–based photomultiplier tubes (MCP-PMT’s) with increased stability to signal-shape linearity have been implemented on the 13.4-m neutron time-of-flight (nTOF) detector at the Omega Laser Facility. This diagnostic uses oxygenated xylene doped with diphenyloxazole C{sub 15}H{sub 11}NO + p-bis-(o-methylstyryl)-benzene (PPO + bis-MSB) wavelength shifting dyes and is coupled through four viewing ports to fast-gating MCP-PMT’s, each with a different gain to allow one to measure the light output over a dynamic range of 1 × 10{sup 6}. With these enhancements, the 13.4-m nTOF can measure the D(t,n){sup 4}He and D(d,n){sup 3}He reaction yields and average ion temperatures in a single line of sight. Once calibrated for absolute neutron sensitivity, the nTOF detectors can be used to measure the neutron yield from 1 × 10{sup 9} to 1 × 10{sup 14} and the ion temperature with an accuracy approaching 5% for both the D(t,n){sup 4}He and D(d,n){sup 3}He reactions.

  15. High-dynamic-range neutron time-of-flight detector used to infer the D(t,n)4He and D(d,n)3He reaction yield and ion temperature on OMEGA

    NASA Astrophysics Data System (ADS)

    Forrest, C. J.; Glebov, V. Yu.; Goncharov, V. N.; Knauer, J. P.; Radha, P. B.; Regan, S. P.; Romanofsky, M. H.; Sangster, T. C.; Shoup, M. J.; Stoeckl, C.

    2016-11-01

    Upgraded microchannel-plate-based photomultiplier tubes (MCP-PMT's) with increased stability to signal-shape linearity have been implemented on the 13.4-m neutron time-of-flight (nTOF) detector at the Omega Laser Facility. This diagnostic uses oxygenated xylene doped with diphenyloxazole C15H11NO + p-bis-(o-methylstyryl)-benzene (PPO + bis-MSB) wavelength shifting dyes and is coupled through four viewing ports to fast-gating MCP-PMT's, each with a different gain to allow one to measure the light output over a dynamic range of 1 × 106. With these enhancements, the 13.4-m nTOF can measure the D(t,n)4He and D(d,n)3He reaction yields and average ion temperatures in a single line of sight. Once calibrated for absolute neutron sensitivity, the nTOF detectors can be used to measure the neutron yield from 1 × 109 to 1 × 1014 and the ion temperature with an accuracy approaching 5% for both the D(t,n)4He and D(d,n)3He reactions.

  16. Use of new strains of Rhodobacter sphaeroides and a modified simple culture medium to increase yield and facilitate purification of the reaction centre.

    PubMed

    Jun, D; Saer, R G; Madden, J D; Beatty, J T

    2014-05-01

    A new gene expression system was developed in Rhodobacter sphaeroides, replacing a pRK415-based system used previously. The broad host-range IPTG-inducible plasmid pIND4 was used to create the plasmid pIND4-RC1 for expression of the puhA and pufQBALMX genes, encoding the reaction centre (RC) and light-harvesting complex 1 (LH1) proteins. The strain R. sphaeroides ΔRCLH was used to make a knockout of the rshI restriction endonuclease gene, enabling electroporation of DNA into the bacterium; a subsequent knockout of ppsR was made, creating the strain R. sphaeroides RCx lacking this oxygen-sensing repressor of the photosynthesis gene cluster. Using pIND4-RC1, LH1 levels were increased by a factor of about 8 over pRS1 per cell in cultures grown semi-aerobically. In addition, the ppsR knockout allowed for photosynthetic pigment-protein complex synthesis in the presence of high concentrations of molecular oxygen; here, LH1 levels per cell increased by 20 % when grown under high aeration conditions. A new medium (called RLB) is the E. coli medium LB supplemented with MgCl2 and CaCl2, which was found to increase growth rates and final cell culture densities, with an increase of 30 % of LH1 per cell detected in R. sphaeroides RCx(pIND4-RC1) grown in RLB versus LB medium. Furthermore, cell density was about three times greater in RLB compared to semi-aerobic conditions. The combination of all the modifications resulted in an increase of LH1 and RC per mL of culture volume by approximately 35-fold, and a decrease in the length of culture incubation time from about 5 days to ~36 h.

  17. Multireference configuration interaction calculations for the F({sup 2}P)+HCl{yields}HF+Cl({sup 2}P) reaction: A correlation scaled ground state (1 {sup 2}A{sup '}) potential energy surface

    SciTech Connect

    Deskevich, Michael P.; Hayes, Michael Y.; Takahashi, Kaito; Skodje, Rex T.; Nesbitt, David J.

    2006-06-14

    This paper presents a new ground state (1 {sup 2}A{sup '}) electronic potential energy surface for the F({sup 2}P)+HCl{yields}HF+Cl({sup 2}P) reaction. The ab initio calculations are done at the multireference configuration interaction+Davidson correction (MRCI+Q) level of theory by complete basis set extrapolation of the aug-cc-pVnZ (n=2,3,4) energies. Due to low-lying charge transfer states in the transition state region, the molecular orbitals are obtained by six-state dynamically weighted multichannel self-consistent field methods. Additional perturbative refinement of the energies is achieved by implementing simple one-parameter correlation energy scaling to reproduce the experimental exothermicity ({delta}E=-33.06 kcal/mol) for the reaction. Ab initio points are fitted to an analytical function based on sum of two- and three-body contributions, yielding a rms deviation of <0.3 kcal/mol for all geometries below 10 kcal/mol above the barrier. Of particular relevance to nonadiabatic dynamics, the calculations show significant multireference character in the transition state region, which is located 3.8 kcal/mol with respect to F+HCl reactants and features a strongly bent F-H-Cl transition state geometry ({theta}{approx_equal}123.5 deg. ). Finally, the surface also exhibits two conical intersection seams that are energetically accessible at low collision energies. These seams arise naturally from allowed crossings in the C{sub {infinity}}{sub v} linear configuration that become avoided in C{sub s} bent configurations of both the reactant and product, and should be a hallmark of all X-H-Y atom transfer reaction dynamics between ({sup 2}P) halogen atoms.

  18. Isotopic and internal CX{sub 3} (X=D,H) rotational motion effects in the Ba{center_dot}{center_dot}{center_dot}FCX{sub 3}+h{nu}{yields}BaF+CX{sub 3} intracluster reactions

    SciTech Connect

    Rinaldi, C. A.; Gasmi, K.; Skowronek, S.; Gonzalez Urena, A.

    2006-06-28

    Photodepletion and action spectra of the laser-induced Ba{center_dot}{center_dot}{center_dot}FCD{sub 3} fragmentation have been measured over the 16 075-16 380 cm{sup -1} range. The observed band and peak structures allowed us to estimate the vibrational and rotational structures of the excited complex at the transition state configuration. The relative reaction probability P{sub R}(E) for the intracluster Ba{center_dot}{center_dot}{center_dot}FCD{sub 3}+h{nu}{yields}BaF+CD{sub 3} reaction has been determined over the cited energy range. P{sub R}(E) shows a peak structure with an energy spacing of 8.9 cm{sup -1} which was attributed to an internal rotation of the CD{sub 3} group in the intermediate state. A comparison with previous Ba{center_dot}{center_dot}{center_dot}FCH{sub 3} photofragmentation spectra reveals the dynamical role of the internal CX{sub 3} (X=H,D) motion which is manifested by the presence of rotational resonances in the laser-induced intracluster reaction.

  19. High-yield production of short GpppA- and 7MeGpppA-capped RNAs and HPLC-monitoring of methyltransfer reactions at the guanine-N7 and adenosine-2'O positions.

    PubMed

    Peyrane, F; Selisko, B; Decroly, E; Vasseur, J J; Benarroch, D; Canard, B; Alvarez, K

    2007-01-01

    Many eukaryotic and viral mRNAs, in which the first transcribed nucleotide is an adenosine, are decorated with a cap-1 structure, (7Me)G5'-ppp5'-A(2'OMe). The positive-sense RNA genomes of flaviviruses (Dengue, West Nile virus) for example show strict conservation of the adenosine. We set out to produce GpppA- and (7Me)GpppA-capped RNA oligonucleotides for non-radioactive mRNA cap methyltransferase assays and, in perspective, for studies of enzyme specificity in relation to substrate length as well as for co-crystallization studies. This study reports the use of a bacteriophage T7 DNA primase fragment to synthesize GpppAC(n) and (7Me)GpppAC(n) (1 < or = n < or = 9) in a one-step enzymatic reaction, followed by direct on-line cleaning HPLC purification. Optimization studies show that yields could be modulated by DNA template, enzyme and substrate concentration adjustments and longer reaction times. Large-scale synthesis rendered pure (in average 99%) products (1 < or = n < or = 7) in quantities of up to 100 nmol starting from 200 nmol cap analog. The capped RNA oligonucleotides were efficient substrates of Dengue virus (nucleoside-2'-O-)-methyltransferase, and human (guanine-N7)-methyltransferase. Methyltransfer reactions were monitored by a non-radioactive, quantitative HPLC assay. Additionally, the produced capped RNAs may serve in biochemical, inhibition and structural studies involving a variety of eukaryotic and viral methyltransferases and guanylyltransferases.

  20. Communication: Probing the entrance channels of the X + CH{sub 4}{yields} HX + CH{sub 3} (X = F, Cl, Br, I) reactions via photodetachment of X{sup -}-CH{sub 4}

    SciTech Connect

    Cheng Min; Feng Yuan; Du Yikui; Zhu Qihe; Zheng Weijun; Czako, Gabor; Bowman, Joel M.

    2011-05-21

    The entrance channel potentials of the prototypical polyatomic reaction family X + CH{sub 4}{yields} HX + CH{sub 3} (X = F, Cl, Br, I) are investigated using anion photoelectron spectroscopy and high-level ab initio electronic structure computations. The pre-reactive van der Waals (vdW) wells of these reactions are probed for X = Cl, Br, I by photodetachment spectra of the corresponding X{sup -}-CH{sub 4} anion complex. For F-CH{sub 4}, a spin-orbit splitting ({approx}1310 cm{sup -1}) much larger than that of the F atom (404 cm{sup -1}) was observed, in good agreement with theory. This showed that in the case of the F-CH{sub 4} system the vertical transition from the anion ground state to the neutral potentials accesses a region between the vdW valley and transition state of the early-barrier F + CH{sub 4} reaction. The doublet splittings observed in the other halogen complexes are close to the isolated atomic spin-orbit splittings, also in agreement with theory.

  1. Time-dependent quantum wave packet study of the Ar+H{sub 2}{sup +}{yields}ArH{sup +}+H reaction on a new ab initio potential energy surface for the ground electronic state (1{sup 2}A Prime )

    SciTech Connect

    Hu Mei; Liu Xinguo; Tan Ruishan; Li Hongzheng; Xu Wenwu

    2013-05-07

    A new global potential energy surface for the ground electronic state (1{sup 2}A Prime ) of the Ar+H{sub 2}{sup +}{yields}ArH{sup +}+H reaction has been constructed by multi-reference configuration interaction method with Davidson correction and a basis set of aug-cc-pVQZ. Using 6080 ab initio single-point energies of all the regions for the dynamics, a many-body expansion function form has been used to fit these points. The quantum reactive scattering dynamics calculations taking into account the Coriolis coupling (CC) were carried out on the new potential energy surface over a range of collision energies (0.03-1.0 eV). The reaction probabilities and integral cross sections for the title reaction were calculated. The significance of including the CC quantum scattering calculation has been revealed by the comparison between the CC and the centrifugal sudden approximation calculation. The calculated cross section is in agreement with the experimental result at collision energy 1.0 eV.

  2. Discharge flow-tube studies of O(3P)+N2H4 reaction: The rate coefficient values over the temperature range 252-423 K and the OH(X 2Π) product yield at 298 K

    NASA Astrophysics Data System (ADS)

    Vaghjiani, Ghanshyam L.

    1996-04-01

    The absolute second-order reaction rate coefficient, k1, for the gas phase reaction, O(3P)+N2H4→products, was studied in a discharge flow-tube apparatus. The reaction was studied under pseudo-first-order conditions in O(3P) concentration (i.e., [N2H4]≫[O(3P)]). The O atoms were generated by a microwave discharge of a suitable precursor gas in He in a fixed side-arm reactor upstream of the flow tube, or in the sliding inner injector of the flow tube. The hydrazine concentration was photometrically measured and introduced into the apparatus in a flow of He via the sliding injector or the fixed side-arm port, respectively. The kinetics of the O-atoms in the reaction was directly followed by 130.2-130.6 nm cw-resonance fluorescence detection of O(3P) at the fixed detector situated downstream of the flow tube. The Arrhenius expression, k1=(7.35±2.16)×10-13 exp[(640±60)/T] cm3 molec-1 s-1, in the temperature range 252-423 K, was fit to the data points. The rate coefficient at room temperature was, within experimental errors, independent of the He buffer gas pressure in the range 1.74 to 8.30 Torr, or the O-atom source reactor. The formation of OH(X 2Π) in the reaction, which can be vibrationally excited (v″≤2), was directly detected by pulsed laser-induced fluorescence. The total yield of OH in the reaction was determined to be (0.15±0.05) at 298 K, of which ˜50% is thought to be produced vibrationally hot. These results suggest that the single-H-atom removal channel is a minor process, in agreement with earlier molecular beam studies in which a direct two-H-atom removal channel was proposed to be the principal reaction mechanism by which O(3P) reacts with N2H4.

  3. Alpha particle induced reactions on natCr up to 39 MeV: Experimental cross-sections, comparison with theoretical calculations and thick target yields for medically relevant 52gFe production

    NASA Astrophysics Data System (ADS)

    Hermanne, A.; Adam Rebeles, R.; Tárkányi, F.; Takács, S.

    2015-08-01

    Thin natCr targets were obtained by electroplating, using 23.75 μm Cu foils as backings. In five stacked foil irradiations, followed by high resolution gamma spectroscopy, the cross sections for production of 52gFe, 49,51cumCr, 52cum,54,56cumMn and 48cumV in Cr and 61Cu,68Ga in Cu were measured up to 39 MeV incident α-particle energy. Reduced uncertainty is obtained by simultaneous remeasurement of the natCu(α,x)67,66Ga monitor reactions over the whole energy range. Comparisons with the scarce literature values and results from the TENDL-2013 on-line library, based on the theoretical code family TALYS-1.6, were made. A discussion of the production routes for 52gFe with achievable yields and contamination rates was made.

  4. Time dependent quantum dynamics study of the O{sup +}+H{sub 2}(v=0,j=0){yields}OH{sup +}+H ion-molecule reaction and isotopic variants (D{sub 2},HD)

    SciTech Connect

    Martinez, Rodrigo; Sierra, Jose Daniel; Gray, Stephen K.; Gonzalez, Miguel

    2006-10-28

    The time dependent real wave packet method using the helicity decoupling approximation was used to calculate the cross section evolution with collision energy (excitation function) of the O{sup +}+H{sub 2}(v=0,j=0){yields}OH{sup +}+H reaction and its isotopic variants with D{sub 2} and HD, using the best available ab initio analytical potential energy surface. The comparison of the calculated excitation functions with exact quantum results and experimental data showed that the present quantum dynamics approach is a very useful tool for the study of the selected and related systems, in a quite wide collision energy interval (approximately 0.0-1.1 eV), involving a much lower computational cost than the quantum exact methods and without a significant loss of accuracy in the cross sections.

  5. Neutrino nuclear responses for double beta decays and astro neutrinos by charge exchange reactions

    NASA Astrophysics Data System (ADS)

    Ejiri, Hiroyasu

    2014-09-01

    Neutrino nuclear responses are crucial for neutrino studies in nuclei. Charge exchange reactions (CER) are shown to be used to study charged current neutrino nuclear responses associated with double beta decays(DBD)and astro neutrino interactions. CERs to be used are high energy-resolution (He3 ,t) reactions at RCNP, photonuclear reactions via IAR at NewSUBARU and muon capture reactions at MUSIC RCNP and MLF J-PARC. The Gamow Teller (GT) strengths studied by CERs reproduce the observed 2 neutrino DBD matrix elements. The GT and spin dipole (SD) matrix elements are found to be reduced much due to the nucleon spin isospin correlations and the non-nucleonic (delta isobar) nuclear medium effects. Impacts of the reductions on the DBD matrix elements and astro neutrino interactions are discussed.

  6. Temperature-Dependent Kinetics Studies of the Reactions Br((sup 2)P3/2) + H2S yields SH + HBr and Br((sup 2)P3/2) + CH3SH yields CH3S + HBr. Heats of Formation of SH and CH3S Radicals

    NASA Technical Reports Server (NTRS)

    Nicovich, J. M.; Kreutter, K. D.; vanDijk, C. A.; Wine, P. H.

    1997-01-01

    Time resolved resonance fluorescence detection of Br(sup 2)P3/2) atom disappearance or appearance following 266-nm laser flash photolysis of CF2Br2/H2S/H2/N2, CF2Br2/CH3SH/H2/N2, Cl2CO/H2S/HBr/N2, and CH3SSCH3/HBr/H2/N2 mixtures has been employed to study the kinetics of the reactions Br((sup 2)P3/2) + H2S = SH + HBr (1,-1) and Br((sup2)P3/2) + CH3SH = CH3S + HBr (2, -2) as a function of temperature over the range 273-431K. Arrhenius expressions in units of 10(exp -12) cu cm/molecule/s which describe the results are k1 = (14.2 +/- 3.4) exp[(-2752 +/- 90)/T],(k-1) = (4.40 +/- 0.92) exp[(-971 +/- 73)/T],k(2) = (9.24 +/- 1.15) exp[(-386 +/- 41)/T], and k(-2) = (1.46 +/-0.21) exp[(-399 +/-41)/T; errors are 2 sigma and represent precision only. By examining Br((sup 2)P3/2) equilibrium kinetics following 355nm laser flash photolysis of Br2/CH3SH/H2/N2 mixtures, a 298 K rate coefficient of (1.7 +/- 0.5) x 10(exp -10) cu cm/molecule/s has been obtained for the reaction CH3S + Br2 yields CH3SBr + Br. To our knowledge, these are the first kinetic data reported for each of the reactions studied. Measured rate coefficients, along with known rate coefficients for similar radical + H2S, CH3SH, HBr,Br2 reactions are considered in terms of possible correlations of reactivity with reaction thermochemistry and with IP - EA, the difference between the ionization potential of the electron donor and the electron affinity of the electron acceptor. Both thermochemical and charge-transfer effects appear to be important in controlling observed reactivities. Second and third law analyses of the equilibrium data for reactions 1 and 2 have been employed to obtain the following enthalpies of reaction in units of kcal/mol: for reaction 1, Delta-H(298) = 3.64 +/- 0.43 and Delta-H(0) = 3.26 +/-0.45; for reaction 2, Delta-H(298) = -0.14 +/- 0.28 and Delta-H(0) = -0.65 +/- 0.36. Combining the above enthalpies of reaction with the well-known heats of formation of Br, HBr, H2S, and CH3SH gives the

  7. Temperature-Dependent Kinetics Studies of the Reactions Br((sup 2)P3/2) + H2S yields SH + HBr and Br((sup 2)P3/2) + CH3SH yields CH3S + HBr. Heats of Formation of SH and CH3S Radicals

    NASA Technical Reports Server (NTRS)

    Nicovich, J. M.; Kreutter, K. D.; vanDijk, C. A.; Wine, P. H.

    1997-01-01

    Time resolved resonance fluorescence detection of Br(sup 2)P3/2) atom disappearance or appearance following 266-nm laser flash photolysis of CF2Br2/H2S/H2/N2, CF2Br2/CH3SH/H2/N2, Cl2CO/H2S/HBr/N2, and CH3SSCH3/HBr/H2/N2 mixtures has been employed to study the kinetics of the reactions Br((sup 2)P3/2) + H2S = SH + HBr (1,-1) and Br((sup2)P3/2) + CH3SH = CH3S + HBr (2, -2) as a function of temperature over the range 273-431K. Arrhenius expressions in units of 10(exp -12) cu cm/molecule/s which describe the results are k1 = (14.2 +/- 3.4) exp[(-2752 +/- 90)/T],(k-1) = (4.40 +/- 0.92) exp[(-971 +/- 73)/T],k(2) = (9.24 +/- 1.15) exp[(-386 +/- 41)/T], and k(-2) = (1.46 +/-0.21) exp[(-399 +/-41)/T; errors are 2 sigma and represent precision only. By examining Br((sup 2)P3/2) equilibrium kinetics following 355nm laser flash photolysis of Br2/CH3SH/H2/N2 mixtures, a 298 K rate coefficient of (1.7 +/- 0.5) x 10(exp -10) cu cm/molecule/s has been obtained for the reaction CH3S + Br2 yields CH3SBr + Br. To our knowledge, these are the first kinetic data reported for each of the reactions studied. Measured rate coefficients, along with known rate coefficients for similar radical + H2S, CH3SH, HBr,Br2 reactions are considered in terms of possible correlations of reactivity with reaction thermochemistry and with IP - EA, the difference between the ionization potential of the electron donor and the electron affinity of the electron acceptor. Both thermochemical and charge-transfer effects appear to be important in controlling observed reactivities. Second and third law analyses of the equilibrium data for reactions 1 and 2 have been employed to obtain the following enthalpies of reaction in units of kcal/mol: for reaction 1, Delta-H(298) = 3.64 +/- 0.43 and Delta-H(0) = 3.26 +/-0.45; for reaction 2, Delta-H(298) = -0.14 +/- 0.28 and Delta-H(0) = -0.65 +/- 0.36. Combining the above enthalpies of reaction with the well-known heats of formation of Br, HBr, H2S, and CH3SH gives the

  8. Growth of Thin, Anisotropic, π-Conjugated Molecular Films by Step-Wise `Click' Assembly of Molecular Building Blocks: Characterizing Reaction Yield, Surface Coverage, and Film Thickness vs. Addition Step Number

    NASA Astrophysics Data System (ADS)

    Demissie, Abel; Haugstad, Greg; Frisbie, C. Daniel

    2015-03-01

    Molecular electronics is an active field of nanotechnology that has gained much interest due to the advent of modern microscopy techniques, and thin film synthesis using click chemistry - an approach which has enabled scientists to achieve a sub-angstrom control of monolayer length. Among the major challenges to grow oriented, surface-confined wires by click chemistry is development of synthetic routes that yield monodisperse wires, and lack of systematic way to measure the surface coverage of molecules. In this work, we report a comprehensive characterization of π-conjugated oligophenylene imine (OPI) wires synthesized step-wise by imine condensation click chemistry. OPI wire synthesis began with a self-assembled monolayer (SAM) of 4-formylthiophenol or 4-aminothiophenol on Au, followed by alternate addition of terepthaldehyde or phenylenediamine. OPI wires were characterized after each monomer addition via Rutherford backscattering spectrometry, x-ray photoelectron spectroscopy, cyclic voltammetry, reflection-absorption infra-red spectroscopy, and nuclear reaction analysis. We have determined an average extent of reaction greater than 98% completion for each growth step using five different techniques. Overall, these nanoscale scale surface characterization techniques proved to be an extremely sufficient method for monitoring wire growth and surface coverage.

  9. High-yield production of short GpppA- and 7MeGpppA-capped RNAs and HPLC-monitoring of methyltransfer reactions at the guanine-N7 and adenosine-2′O positions

    PubMed Central

    Peyrane, F.; Selisko, B.; Decroly, E.; Vasseur, J. J.; Benarroch, D.; Canard, B.; Alvarez, K.

    2007-01-01

    Many eukaryotic and viral mRNAs, in which the first transcribed nucleotide is an adenosine, are decorated with a cap-1 structure, 7MeG5′-ppp5′-A2′OMe. The positive-sense RNA genomes of flaviviruses (Dengue, West Nile virus) for example show strict conservation of the adenosine. We set out to produce GpppA- and 7MeGpppA-capped RNA oligonucleotides for non-radioactive mRNA cap methyltransferase assays and, in perspective, for studies of enzyme specificity in relation to substrate length as well as for co-crystallization studies. This study reports the use of a bacteriophage T7 DNA primase fragment to synthesize GpppACn and 7MeGpppACn (1 ≤ n ≤ 9) in a one-step enzymatic reaction, followed by direct on-line cleaning HPLC purification. Optimization studies show that yields could be modulated by DNA template, enzyme and substrate concentration adjustments and longer reaction times. Large-scale synthesis rendered pure (in average 99%) products (1 ≤ n ≤ 7) in quantities of up to 100 nmol starting from 200 nmol cap analog. The capped RNA oligonucleotides were efficient substrates of Dengue virus (nucleoside-2′-O-)-methyltransferase, and human (guanine-N7)-methyltransferase. Methyltransfer reactions were monitored by a non-radioactive, quantitative HPLC assay. Additionally, the produced capped RNAs may serve in biochemical, inhibition and structural studies involving a variety of eukaryotic and viral methyltransferases and guanylyltransferases. PMID:17259217

  10. An in vivo highly antitumor-active tetrazolato-bridged dinuclear platinum(II) complex largely circumvents in vitro cisplatin resistance: two linkage isomers yield the same product upon reaction with 9-ethylguanine but exhibit different cytotoxic profiles.

    PubMed

    Uemura, Masako; Suzuki, Toshihiro; Nishio, Kazuto; Chikuma, Masahiko; Komeda, Seiji

    2012-07-01

    Cytotoxicity assays of azolato-bridged dinuclear Pt(II) complexes, [{cis-Pt(NH(3))(2)}(2)(μ-OH)(μ-azolato)](2+), where the azolato was pyrazolato (1), 1,2,3-triazolato-N1,N2 (2), tetrazolato-N1,N2 (3), or tetrazolato-N2,N3 (4), were performed in cisplatin-sensitive and -resistant human non-small-cell lung cancer cell lines (PC-9 and PC-14). These complexes largely circumvented the cisplatin resistance in both cell lines, with resistance factors for 1-4 in the range of 0.5-0.8 and 0.9-2.0 for PC-9 and PC-14 cells, respectively. Complex 4 exhibited approximately 10 times the cytotoxicity of 3. When 3 and 4 were reacted with 2 molar equiv. of 9-ethylguanine (9EtG), they yielded an identical product, [{cis-Pt(NH(3))(2)(9EtG-N7)}(2)(μ-tetrazolato-N1,N3)](3+), that had N1,N3 platinum coordination through a Pt(II) migration process on the tetrazolate ring. The second-order rate kinetics of these isomers were almost the same as each other and faster than those of 1 and 2. The cytotoxicity of azolato-bridged complexes, except for 3, increases as their kinetic rates in the 9EtG reaction increase.

  11. Fission yield measurements at IGISOL

    NASA Astrophysics Data System (ADS)

    Lantz, M.; Al-Adili, A.; Gorelov, D.; Jokinen, A.; Kolhinen, V. S.; Mattera, A.; Moore, I.; Penttilä, H.; Pomp, S.; Prokofiev, A. V.; Rakopoulos, V.; Rinta-Antila, S.; Simutkin, V.; Solders, A.

    2016-06-01

    The fission product yields are an important characteristic of the fission process. In fundamental physics, knowledge of the yield distributions is needed to better understand the fission process. For nuclear energy applications good knowledge of neutroninduced fission-product yields is important for the safe and efficient operation of nuclear power plants. With the Ion Guide Isotope Separator On-Line (IGISOL) technique, products of nuclear reactions are stopped in a buffer gas and then extracted and separated by mass. Thanks to the high resolving power of the JYFLTRAP Penning trap, at University of Jyväskylä, fission products can be isobarically separated, making it possible to measure relative independent fission yields. In some cases it is even possible to resolve isomeric states from the ground state, permitting measurements of isomeric yield ratios. So far the reactions U(p,f) and Th(p,f) have been studied using the IGISOL-JYFLTRAP facility. Recently, a neutron converter target has been developed utilizing the Be(p,xn) reaction. We here present the IGISOL-technique for fission yield measurements and some of the results from the measurements on proton induced fission. We also present the development of the neutron converter target, the characterization of the neutron field and the first tests with neutron-induced fission.

  12. Method for improving reformer yield selectivity

    SciTech Connect

    Ramella, A.; Wang, H. Y.

    1985-11-05

    Yield selectivity of a multibed catalytic reformer operating below design capacity is enhanced by adjusting inlet temperature of at least one catalyst bed to nearquenching conditions while adjusting the inlet temperature of at least one catalyst bed to favor yield selective reforming reactions. Significant increases in C/sub 5/+ yields are obtained without any modification of the reforming unit.

  13. Theoretical nuclear reaction and structure studies using hyperons and photons. Progress report, January 1992--December 1992

    SciTech Connect

    Cotanch, S.R.

    1992-12-31

    Research in three principal areas is summarized: (1) Work in elementary hadron structure seeks to further the understanding of hadron structure within the framework of quantum chromodynamics (QCD) and QCD-based models. A comparative study of meson properties employed three relativistic models: an extended Dziembowski model, a generalized light-front approach, and a completely covariant null plane approach. (2) Work on the electromagnetic production of strangeness addressed systems involving the strange quark (hyperons) and hyperon electromagnetic production and radiative capture processes. (3) In the work on medium-energy photonuclear reactions, a large-scale continuum shell-model calculation was performed for ({gamma},N) and (N,{gamma}) reactions at low and medium energies spanning the {Delta} isobar region.

  14. The photoneutron yield predictions by PICA and comparison with the measurements

    SciTech Connect

    Job, P.K.; Gabriel, T.A.

    1995-12-31

    The photoneutron yields at higher photon energies have become very important since the advent of high energy electron accelerators. Bremsstrahlung is produced when the particle beam interacts with the storage-ring components or residual-gas molecules in the storage-ring vacuum. Bremsstrahlung thus produced interacts with the high-Z materials in the beamline like the beam dumps and collimators to produce photoneutrons. There are three modes of neutron production by bremsstrahlung. At low energies ({>=}525 MeV), photons are absorbed by the dipole interaction and the compound nucleus thus formed decays emitting protons and neutrons and other heavier particles. At higher energies ({>=}25 MeV), photon interacts with the nucleus through absorption on a quasi-deuteron, which subsequently decays producing a neutron and proton pair which can interact with the rest of the nucleus. At still higher energies the photopion production becomes possible and competes with the quasi-deuteron process. In this paper we have calculated the photoneutron yield from a thick copper target using the photonuclear interaction code PICA. Using this as the neutron source, we have calculated the dose rates through heavy concrete and compared it with the measurements made at the Advanced Photon Source at Argonne National Lab.

  15. Theoretical nuclear reaction and structure studies using hyperons and photons. [Dept. of Physics, North Carolina State Univ. , Raleigh, North Carolina

    SciTech Connect

    Cotanch, S.R.

    1992-01-01

    Research in three principal areas is summarized: (1) Work in elementary hadron structure seeks to further the understanding of hadron structure within the framework of quantum chromodynamics (QCD) and QCD-based models. A comparative study of meson properties employed three relativistic models: an extended Dziembowski model, a generalized light-front approach, and a completely covariant null plane approach. (2) Work on the electromagnetic production of strangeness addressed systems involving the strange quark (hyperons) and hyperon electromagnetic production and radiative capture processes. (3) In the work on medium-energy photonuclear reactions, a large-scale continuum shell-model calculation was performed for ([gamma],N) and (N,[gamma]) reactions at low and medium energies spanning the [Delta] isobar region.

  16. The CCONE Code System and its Application to Nuclear Data Evaluation for Fission and Other Reactions

    SciTech Connect

    Iwamoto, O. Iwamoto, N.; Kunieda, S.; Minato, F.; Shibata, K.

    2016-01-15

    A computer code system, CCONE, was developed for nuclear data evaluation within the JENDL project. The CCONE code system integrates various nuclear reaction models needed to describe nucleon, light charged nuclei up to alpha-particle and photon induced reactions. The code is written in the C++ programming language using an object-oriented technology. At first, it was applied to neutron-induced reaction data on actinides, which were compiled into JENDL Actinide File 2008 and JENDL-4.0. It has been extensively used in various nuclear data evaluations for both actinide and non-actinide nuclei. The CCONE code has been upgraded to nuclear data evaluation at higher incident energies for neutron-, proton-, and photon-induced reactions. It was also used for estimating β-delayed neutron emission. This paper describes the CCONE code system indicating the concept and design of coding and inputs. Details of the formulation for modelings of the direct, pre-equilibrium and compound reactions are presented. Applications to the nuclear data evaluations such as neutron-induced reactions on actinides and medium-heavy nuclei, high-energy nucleon-induced reactions, photonuclear reaction and β-delayed neutron emission are mentioned.

  17. The CCONE Code System and its Application to Nuclear Data Evaluation for Fission and Other Reactions

    NASA Astrophysics Data System (ADS)

    Iwamoto, O.; Iwamoto, N.; Kunieda, S.; Minato, F.; Shibata, K.

    2016-01-01

    A computer code system, CCONE, was developed for nuclear data evaluation within the JENDL project. The CCONE code system integrates various nuclear reaction models needed to describe nucleon, light charged nuclei up to alpha-particle and photon induced reactions. The code is written in the C++ programming language using an object-oriented technology. At first, it was applied to neutron-induced reaction data on actinides, which were compiled into JENDL Actinide File 2008 and JENDL-4.0. It has been extensively used in various nuclear data evaluations for both actinide and non-actinide nuclei. The CCONE code has been upgraded to nuclear data evaluation at higher incident energies for neutron-, proton-, and photon-induced reactions. It was also used for estimating β-delayed neutron emission. This paper describes the CCONE code system indicating the concept and design of coding and inputs. Details of the formulation for modelings of the direct, pre-equilibrium and compound reactions are presented. Applications to the nuclear data evaluations such as neutron-induced reactions on actinides and medium-heavy nuclei, high-energy nucleon-induced reactions, photonuclear reaction and β-delayed neutron emission are mentioned.

  18. Yield Advances in Peanut

    USDA-ARS?s Scientific Manuscript database

    Average yields of peanut in the U.S. set an all time record of 4,695 kg ha-1 in 2012. This far exceeded the previous record yield of 3,837 kg ha-1 in 2008. Favorable weather conditions undoubtedly contributed to the record yields in 2012; however, these record yields would not have been achievable...

  19. DMSO Increases Radioiodination Yield of Radiopharmaceuticals

    PubMed Central

    Wang, Ketai; Adelstein, S. James; Kassis, Amin I.

    2007-01-01

    A high-yield radioiodination method for various types of molecules is described. The approach employs DMSO as precursor solvent, a reaction ratio of 2–5 precursor molecules per iodine atom, 5–10 μg oxidant, and a 10–25-μl reaction volume. The solution is vortexed at room temperature for 1–5 min and progress of the reaction is assessed by HPLC. Radioiodinated products are obtained in ≥95% yield and meet the requirements for radiotracer imaging, biodistribution studies, and molecular and cellular biology research. PMID:17931872

  20. Investigation of temperature dependence of neutron yield and electron screening potential for the d(d, n){sup 3}He reaction proceeding in deuterides ZrD{sub 2} and TiD{sub 2}

    SciTech Connect

    Bystritsky, V. M.; Bystritskii, Vit. M.; Dudkin, G. N.; Filipowicz, M.; Gazi, S.; Huran, J.; Kobzev, A. P.; Mesyats, G. A.; Nechaev, B. A.; Padalko, V. N.; Parzhitskii, S. S.; Pen'kov, F. M.; Philippov, A. V.; Kaminskii, V. L.; Tuleushev, Yu. Zh.; Wozniak, J.

    2012-08-15

    The temperature dependence of the enhancement factor for the dd reaction proceeding in TiD{sub 2} and ZrD{sub 2} is investigated. The experiments were carried out at the Hall pulsed ion accelerator (INP, Polytechnic University, Tomsk, Russia) in the deuteron energy interval 7.0-12.0 keV and at temperatures ranging from 20 to 200 Degree-Sign C. The values obtained for the electron screening potentials indicate that the dd reaction enhancement factor does not depend on the target temperature in the range 20-200 Degree-Sign C. This result contradicts the conclusions drawn by the LUNA Collaboration from their work.

  1. Free radical hydrogen atom abstraction from saturated hydrocarbons: A crossed-molecular-beams study of the reaction Cl + C{sub 3}H{sub 8} {yields} HCl + C{sub 3}H{sub 7}

    SciTech Connect

    Blank, D.A.; Hemmi, N.; Suits, A.G.; Lee, Y.T.

    1997-04-01

    The abstraction of hydrogen atoms from saturated hydrocarbons are reactions of fundamental importance in combustion as well as often being the rate limiting step in free radical substitution reactions. The authors have begun studying these reactions under single collision conditions using the crossed molecular beam technique on beamline 9.0.2.1, utilizing VUV undulator radiation to selectively ionize the scattered hydrocarbon free radical products (C{sub x}H{sub 2x+1}). The crossed molecular beam technique involves two reactant molecular beams fixed at 90{degrees}. The molecular beam sources are rotatable in the plane defined by the two beams. The scattered neutral products travel 12.0 cm where they are photoionized using the VUV undulator radiation, mass selected, and counted as a function of time. In the authors initial investigations they are using halogen atoms as protypical free radicals to abstract hydrogen atoms from small alkanes. Their first study has been looking at the reaction of Cl + propane {r_arrow} HCl + propyl radical. In their preliminary efforts the authors have measured the laboratory scattering angular distribution and time of flight spectra for the propyl radical products at collision energies of 9.6 kcal/mol and 14.9 kcal/mol.

  2. Modeling Mechanochemical Reaction Mechanisms.

    PubMed

    Adams, Heather; Miller, Brendan P; Furlong, Octavio J; Fantauzzi, Marzia; Navarra, Gabriele; Rossi, Antonella; Xu, Yufu; Kotvis, Peter V; Tysoe, Wilfred T

    2017-08-09

    The mechanochemical reaction between copper and dimethyl disulfide is studied under well-controlled conditions in ultrahigh vacuum (UHV). Reaction is initiated by fast S-S bond scission to form adsorbed methyl thiolate species, and the reaction kinetics are reproduced by two subsequent elementary mechanochemical reaction steps, namely a mechanochemical decomposition of methyl thiolate to deposit sulfur on the surface and evolve small, gas-phase hydrocarbons, and sliding-induced oxidation of the copper by sulfur that regenerates vacant reaction sites. The steady-state reaction kinetics are monitored in situ from the variation in the friction force as the reaction proceeds and modeled using the elementary-step reaction rate constants found for monolayer adsorbates. The analysis yields excellent agreement between the experiment and the kinetic model, as well as correctly predicting the total amount of subsurface sulfur in the film measured using Auger spectroscopy and the sulfur depth distribution measured by angle-resolved X-ray photoelectron spectroscopy.

  3. Chlorophyll photosensitized electron transfer reactions in lipid vesicles: enhancement in yield of vectorial electron transfer across the bilayer from reduced cytochrome c to oxidized ferredoxin by addition of valinomycin plus potassium ion.

    PubMed

    Zhao, Z G; Tollin, G

    1991-11-01

    Chlorophyll photosensitized electron transfer across a vesicle bilayer from reduced cytochrome c in the inner compartment to oxidized ferredoxin in the outer compartment, using propylene diquat as a mediator, has been investigated using both steady-state and laser flash photolysis methods. One of the factors limiting the quantum yield is the transmembrane potential, which is formed during sample preparation and is increased by the electron transfer process across the membrane bilayer. This limitation can be diminished by the incorporation of valinomycin into the bilayer in the presence of potassium ion. The overall quantum yield can be approximately doubled (up to a total of 22% based on the chlorophyll triplet which is quenched, and 2.8% based on the absorbed quanta) by valinomycin addition. Another quantum yield limitation arises from the accumulation of oxidized cytochrome c in the inner aqueous compartment, which is formed as a consequence of the transbilayer electron transport process and can quench triplet chlorophyll on the inner side of the vesicle. The chlorophyll cation radical generated in this way can participate in the electron exchange equilibrium between chlorophyll molecules located within the bilayer, and thus inhibit electron flow from inside to outside. This acts to limit the extent of cytochrome c oxidation to less than or equal to 50% of the original amount.

  4. Comparison of secondary organic aerosol formed with an aerosol flow reactor and environmental reaction chambers: effect of oxidant concentration, exposure time and seed particles on chemical composition and yield

    NASA Astrophysics Data System (ADS)

    Lambe, A. T.; Chhabra, P. S.; Onasch, T. B.; Brune, W. H.; Hunter, J. F.; Kroll, J. H.; Cummings, M. J.; Brogan, J. F.; Parmar, Y.; Worsnop, D. R.; Kolb, C. E.; Davidovits, P.

    2014-12-01

    We performed a systematic intercomparison study of the chemistry and yields of SOA generated from OH oxidation of a common set of gas-phase precursors in a Potential Aerosol Mass (PAM) continuous flow reactor and several environmental chambers. In the flow reactor, SOA precursors were oxidized using OH concentrations ranging from 2.0×108 to 2.2×1010 molec cm-3 over exposure times of 100 s. In the environmental chambers, precursors were oxidized using OH concentrations ranging from 2×106 to 2×107 molec cm-3 over exposure times of several hours. The OH concentration in the chamber experiments is close to that found in the atmosphere, but the integrated OH exposure in the flow reactor can simulate atmospheric exposure times of multiple days compared to chamber exposure times of only a day or so. A linear correlation analysis of the mass spectra (m=0.91-0.92, r2=0.93-0.94) and carbon oxidation state (m=1.1, r2=0.58) of SOA produced in the flow reactor and environmental chambers for OH exposures of approximately 1011 molec cm-3 s suggests that the composition of SOA produced in the flow reactor and chambers is the same within experimental accuracy as measured with an aerosol mass spectrometer. This similarity in turn suggests that both in the flow reactor and in chambers, SOA chemical composition at low OH exposure is governed primarily by gas-phase OH oxidation of the precursors, rather than heterogeneous oxidation of the condensed particles. In general, SOA yields measured in the flow reactor are lower than measured in chambers for the range of equivalent OH exposures that can be measured in both the flow reactor and chambers. The influence of sulfate seed particles on isoprene SOA yield measurements was examined in the flow reactor. The studies show that seed particles increase the yield of SOA produced in flow reactors by a factor of 3 to 5 and may also account in part for higher SOA yields obtained in the chambers, where seed particles are routinely used.

  5. Exact quantum dynamics study of the O{sup +}+H{sub 2}(v=0,j=0){yields}OH{sup +}+H ion-molecule reaction and comparison with quasiclassical trajectory calculations

    SciTech Connect

    Martinez, Rodrigo; Lucas, Josep M.; Gimenez, Xavier; Aguilar, Antonio; Gonzalez, Miguel

    2006-04-14

    The close-coupling hyperspherical (CCH) exact quantum method was used to study the title barrierless reaction up to a collision energy (E{sub T}) of 0.75 eV, and the results compared with quasiclassical trajectory (QCT) calculations to determine the importance of quantum effects. The CCH integral cross section decreased with E{sub T} and, although the QCT results were in general quite similar to the CCH ones, they presented a significant deviation from the CCH data within the 0.2-0.6 eV collision energy range, where the QCT method did not correctly describe the reaction probability. A very good accord between both methods was obtained for the OH{sup +} vibrational distribution, where no inversion of population was found. For the OH{sup +} rotational distributions, the agreement between the CCH and QCT results was not as good as in the vibrational case, but it was satisfactory in many conditions. The kk{sup '} angular distribution showed a preferential forward character, and the CCH method produced higher forward peaks than the QCT one. All the results were interpreted considering the potential energy surface and plots of a representative sampling of reactive trajectories.

  6. A time-resolved iron-specific X-ray absorption experiment yields no evidence for an Fe2+ --> Fe3+ transition during QA- --> QB electron transfer in the photosynthetic reaction center.

    PubMed

    Hermes, Sabine; Bremm, Oliver; Garczarek, Florian; Derrien, Valerie; Liebisch, Peter; Loja, Paola; Sebban, Pierre; Gerwert, Klaus; Haumann, Michael

    2006-01-17

    Previous time-resolved FTIR measurements suggested the involvement of an intermediary component in the electron transfer step Q(A)- --> Q(B) in the photosynthetic reaction center (RC) from Rhodobacter sphaeroides [Remy and Gerwert (2003) Nat. Struct. Biol. 10, 637]. By a kinetic X-ray absorption experiment at the Fe K-edge we investigated whether oxidation occurs at the ferric non-heme iron located between the two quinones. In isolated reaction centers with a high content of functional Q(B), at a time resolution of 30 micros and at room temperature, no evidence for transient oxidation of Fe was obtained. However, small X-ray transients occurred, in a similar micro- to millisecond time range as in the IR experiments, which may point to changes in the Fe ligand environment due to the charges on Q(A)- and Q(B)-. In addition, VIS measurements agree with the IR data and do not exclude an intermediate in the Q(A)- --> Q(B) transition.

  7. The reaction NH2 + PH3 yields NH3 + PH2 - Absolute rate constant measurement and implication for NH3 and PH3 photochemistry in the atmosphere of Jupiter

    NASA Technical Reports Server (NTRS)

    Bosco, S. R.; Brobst, W. D.; Nava, D. F.; Stief, L. J.

    1983-01-01

    The rate constant is measured over the temperature interval 218-456 K using the technique of flash photolysis-laser-induced fluorescence. NH2 radicals are produced by the flash photolysis of ammonia highly diluted in argon, and the decay of fluorescent NH2 photons is measured by multiscaling techniques. For each of the five temperatures employed in the study, the results are shown to be indepenent of variations in PH3 concentration, total pressure (argon), and flash intensity. It is found that the rate constant results are best represented for T between 218 and 456 K by the expression k = (1.52 + or - 0.16) x 10 to the -12th exp(-928 + or - 56/T) cu cm per molecule per sec; the error quoted is 1 standard deviation. This is the first determination of the rate constant for the reaction NH2 + PH3. The data are compared with an estimate made in order to explain results of the radiolysis of NH3-PH3 mixtures. The Arrhenius parameters determined here for NH2 + PH3 are then contrasted with those for the corresponding reactions of H and OH with PH3.

  8. The reaction NH2 + PH3 yields NH3 + PH2 - Absolute rate constant measurement and implication for NH3 and PH3 photochemistry in the atmosphere of Jupiter

    NASA Technical Reports Server (NTRS)

    Bosco, S. R.; Brobst, W. D.; Nava, D. F.; Stief, L. J.

    1983-01-01

    The rate constant is measured over the temperature interval 218-456 K using the technique of flash photolysis-laser-induced fluorescence. NH2 radicals are produced by the flash photolysis of ammonia highly diluted in argon, and the decay of fluorescent NH2 photons is measured by multiscaling techniques. For each of the five temperatures employed in the study, the results are shown to be indepenent of variations in PH3 concentration, total pressure (argon), and flash intensity. It is found that the rate constant results are best represented for T between 218 and 456 K by the expression k = (1.52 + or - 0.16) x 10 to the -12th exp(-928 + or - 56/T) cu cm per molecule per sec; the error quoted is 1 standard deviation. This is the first determination of the rate constant for the reaction NH2 + PH3. The data are compared with an estimate made in order to explain results of the radiolysis of NH3-PH3 mixtures. The Arrhenius parameters determined here for NH2 + PH3 are then contrasted with those for the corresponding reactions of H and OH with PH3.

  9. The reaction NH2 + PH3 yields NH3 + PH2: Absolute rate constant measurement and implication for NH3 and PH3 photochemistry in the atmosphere of Jupiter

    NASA Technical Reports Server (NTRS)

    Bosco, S. R.; Brobst, W. D.; Nava, D. F.; Stief, L. J.

    1983-01-01

    The rate constant is measured over the temperature interval 218-456 K using the technique of flash photolysis-laser-induced fluorescence. NH2 radicals are produced by the flash photolysis of ammonia highly diluted in argon, and the decay of fluorescent NH2 photons is measured by multiscaling techniques. For each of the five temperatures employed in the study, the results are shown to be independent of variations in PH3 concentration, total pressure (argon), and flash intensity. It is found that the rate constant results are best represented for T between 218 and 456 K by the expression k = (1.52 + or - 0.16) x 10 to the -12th exp(-928 + or - 56/T) cu cm per molecule per sec; the error quoted is 1 standard deviation. This is the first determination of the rate constant for the reaction NH2 + PH3. The data are compared with an estimate made in order to explain results of the radiolysis of NH3-PH3 mixtures. The Arrhenius parameters determined here for NH2 + PH3 are then constrasted with those for the corresponding reactions of H and OH with PH3.

  10. Yield Improvement in Steel Casting (Yield II)

    SciTech Connect

    Richard A. Hardin; Christoph Beckermann; Tim Hays

    2002-02-18

    This report presents work conducted on the following main projects tasks undertaken in the Yield Improvement in Steel Casting research program: Improvement of Conventional Feeding and Risering Methods, Use of Unconventional Yield Improvement Techniques, and Case Studies in Yield Improvement. Casting trials were conducted and then simulated using the precise casting conditions as recorded by the participating SFSA foundries. These results present a statistically meaningful set of experimental data on soundness versus feeding length. Comparisons between these casting trials and casting trials performed more than forty years ago by Pellini and the SFSA are quite good and appear reasonable. Comparisons between the current SFSA feeding rules and feeding rules based on the minimum Niyama criterion reveal that the Niyama-based rules are generally less conservative. The niyama-based rules also agree better with both the trials presented here, and the casting trails performed by Pellini an d the SFSA years ago. Furthermore, the use of the Niyama criterion to predict centerline shrinkage for horizontally fed plate sections has a theoretical basis according to the casting literature reviewed here. These results strongly support the use of improved feeding rules for horizontal plate sections based on the Niyama criterion, which can be tailored to the casting conditions for a given alloy and to a desired level of soundness. The reliability and repeatability of ASTM shrinkage x-ray ratings was investigated in a statistical study performed on 128 x-rays, each of which were rated seven different times. A manual ''Feeding and Risering Guidelines for Steel Castings' is given in this final report. Results of casting trials performed to test unconventional techniques for improving casting yield are presented. These use a stacked arrangement of castings and riser pressurization to increase the casting yield. Riser pressurization was demonstrated to feed a casting up to four time s the

  11. More on Chemical Reaction Balancing.

    ERIC Educational Resources Information Center

    Swinehart, D. F.

    1985-01-01

    A previous article stated that only the matrix method was powerful enough to balance a particular chemical equation. Shows how this equation can be balanced without using the matrix method. The approach taken involves writing partial mathematical reactions and redox half-reactions, and combining them to yield the final balanced reaction. (JN)

  12. Baryon resonance yields after QGP hadronization

    NASA Astrophysics Data System (ADS)

    Kuznetsova, Inga; Rafelski, Johann

    2008-10-01

    Yields of baryon resonances which have been studied at RHIC, considering their decay (e.g. δ(1232) ->N+π , σ(1385) ->λ+π), are studied in the framework of a kinetic master equations. The detailed balance requirement implied that they can be also produced by back-reaction. Particularly interesting is the case of entropy rich QGP fast hadronization leading to initial above chemical equilibrium yields of hadrons. In this case the resonance yield in a rapidly expanding system does not always develop towards global chemical equilibrium. We find that a significant additional hadron resonance yields can be produced by the back-reaction of the over-abundance of the decay products of resonances. A more complex situation arises for a relatively narrow resonance such as λ(1520), which can be in part seen as a stable state, which is depopulated to increase the heavier resonance yield. We find that a suppression of yield of such resonances, as compared to statistical hadronization model is possible. The pattern of deviation of hadron resonance yields from expectations based on statistical hadronization model are another characteristic signature for a fast hadronization of entropy rich QGP. The total yields of the ground state baryons used in analysis of data (such as N, λ) are not affected.

  13. Atmospheric Nitrogen Fluorescence Yield

    NASA Technical Reports Server (NTRS)

    Adams, J. H., Jr.; Christl, M. J.; Fountain, W. F.; Gregory, J. C.; Martens, K. U.; Sokolsky, Pierre; Whitaker, Ann F. (Technical Monitor)

    2001-01-01

    Several existing and planned experiments estimate the energies of ultra-high energy cosmic rays from air showers using the atmospheric nitrogen fluorescence. The nitrogen fluorescence yield from air shower electrons depends on the atmospheric composition. We will discuss the uncertainties in the fluorescence yield form electrons in the real atmosphere and describe a concept for a small balloon payload to measure the atmospheric fluorescence yield as a function of attitude.

  14. Rate Constant for the Reaction CH3 + CH3 Yields C2H6 at T = 155 K and Model Calculation of the CH3 Abundance in the Atmospheres of Saturn and Neptune

    NASA Technical Reports Server (NTRS)

    Cody, Regina J.; Romani, Paul N.; Nesbitt, Fred L.; Iannone, Mark A.; Tardy, Dwight C.; Stief, Louis J.

    2003-01-01

    The column abundances of CH3 observed by the Infrared Space Observatory (ISO) satellite on Saturn and Neptune were lower than predicted by atmospheric photochemical models, especially for Saturn. It has been suggested that the models underestimated the loss of CH3 due to poor knowledge of the rate constant k of the CH3 + CH3 self-reaction at the low temperatures and pressures of these atmospheres. Motivated by this suggestion, we undertook a combined experimental and photochemical modeling study of the CH3 + CH3 reaction and its role in determining planetary CH3 abundances. In a discharge flow-mass spectrometer system, k was measured at T = 155 K and three pressures of He. The results in units of cu cm/molecule/s are k(0.6 Torr) = 6.82 x 10(exp -11), k(1.0 Torr) = 6.98 x 10(exp -11), and k(1.5 Torr) = 6.91 x 10(exp -11). Analytical expressions for k were derived that (1) are consistent with the present laboratory data at T = 155 K, our previous data at T = 202 K and 298 K, and those of other studies in He at T = 296-298 K and (2) have some theoretical basis to provide justification for extrapolation. The derived analytical expressions were then used in atmospheric photochemical models for both Saturn and Neptune. These model results reduced the disparity with observations of Saturn, but not with observations of Neptune. However, the disparity for Neptune is much smaller. The solution to the remaining excess CH3 prediction in the models relative to the ISO observations lies, to a large extent, elsewhere in the CH3 photochemistry or transport, not in the CH3 + CH3 rate.

  15. Dynamical cluster-decay model for hot and rotating light-mass nuclear systems applied to the low-energy {sup 32}S+{sup 24}Mg{yields}{sup 56}Ni{sup *} reaction

    SciTech Connect

    Gupta, Raj K.; Kumar, Rajesh; Singh, Dalip; Balasubramaniam, M.; Beck, C.

    2005-01-01

    The dynamical cluster-decay model (DCM) is developed further for the decay of hot and rotating compound nuclei (China) formed in light heavy-ion reactions. The model is worked out in terms of only one parameter, namely the neck-length parameter, which is related to the total kinetic energy TKE(T) or effective Q value Q{sub eff}(T) at temperature T of the hot CN and is defined in terms of the CN binding energy and ground-state binding energies of the emitted fragments. The emission of both the light particles (LP), with A{<=}4,Z{<=}2, as well as the complex intermediate mass fragments (IMF), with 42, is considered as the dynamical collective mass motion of preformed clusters through the barrier. Within the same dynamical model treatment, the LPs are shown to have different characteristics compared to those of the IMFs. The systematic variations of the LP emission cross section {sigma}{sub LP} and IMF emission cross section {sigma}{sub IMF} calculated from the present DCM match exactly the statistical fission model predictions. A nonstatistical dynamical description is developed for the first time for emission of light particles from hot and rotating CN. The model is applied to the decay of {sup 56}Ni* formed in the {sup 32}S+{sup 24}Mg reaction at two incident energies E{sub c.m.}=51.6 and 60.5 MeV. Both the IMFs and average TKE{sup lowbar} spectra are found to compare resonably well with the experimental data, favoring asymmetric mass distributions. The LPs' emission cross section is shown to depend strongly on the type of emitted particles and their multiplicities.

  16. Reed canarygrass yield improvement

    USDA-ARS?s Scientific Manuscript database

    Reed canarygrass is well adapted to the northern USA. Eight cultivars and 72 accessions collected in rural landscapes from Iowa to New Hampshire were evaluated for yield. Accessions produced on average 7% higher biomass yield compared to existing cultivars. Naturalized populations of reed canarygras...

  17. Neutron yield for chemical compounds of actinides

    SciTech Connect

    Vukolov, V.A.; Chukreev, F.E.

    1987-10-01

    The authors assess the neutron yield for a variety of nuclear fuels--uranium hexafluoride, plutonium dioxide, plutonium carbide, plutonium fluoride, americium dioxide, americium fluoride, curium dioxide, and alloys of beryllium with plutonium and americium--by analyzing and configuring experimental data on the cross sections of alpha reactions with lithium 6, lithium 7, beryllium 9, boron 10, boron 11, carbon 13, and fluorine 19 targets. They present a mathematical formulation which, when compared to experimentally derived values, shows comparable accuracy in forecasting neutron yield. They find that the inclusion of stopping power data increases the agreement between experimental and theoretical yields.

  18. Differential cross section for the H+D{sub 2}{yields}HD(v{sup '}=1,j{sup '}=2,6,10)+D reaction as a function of collision energy

    SciTech Connect

    Koszinowski, Konrad; Goldberg, Noah T.; Zhang Jianyang; Zare, Richard N.; Bouakline, Foudhil; Althorpe, Stuart C.

    2007-09-28

    We have measured differential cross sections (DCSs) for the HD (v{sup '}=1,j{sup '}=2,6,10) products of the H+D{sub 2} exchange reaction at five different collision energies in the range 1.48{<=}E{sub coll}{<=}1.94 eV. The contribution from the less energetic H atoms formed upon spin-orbit excitation of Br in the photolysis of the HBr precursor is taken into account for two collision energies, E{sub coll}=1.84 and 1.94 eV, allowing us to disentangle the two different channels. The measured DCSs agree well with new time-dependent quantum-mechanical calculations. As the product rotational excitation increases, the DCSs shift from backward to sideward scattering, as expected. We also find that the shapes of the DCSs show only a small overall dependence on the collision energy, with a notable exception occurring for HD (v{sup '}=1,j{sup '}=2), which appears bimodal at high collision energies. We suggest that this feature results from both direct recoil and indirect scattering from the conical intersection.

  19. Uncertainties in Supernova Yields

    NASA Astrophysics Data System (ADS)

    Young, Patrick A.; Fryer, C. L.

    2006-12-01

    Theoretical nucleosynthetic yields from supernovae are sensitive to both the details of the progenitor star and the explosion calculation. We attempt to comprehensively identify the sources of uncertainties in these yields. In this poster we concentrate on the variations in yields from a single progenitor arising from common 1-dimensional methods of approximating a supernova explosion. 3-dimensional effects in the explosion and the progenitor and improved physics in the progenitor evolution are also given preliminary consideration. For the 1-dimensional explosions we find that both elemental and isotopic yields for Si and heavier elements are a sensitive function of explosion energy. Also, piston-driven and thermal bomb type explosions have different yields for the same explosion energy. Yields derived from 1-dimensional explosions are non-unique. Bulk yields of common elements can vary by factors of several depending upon the assumptions of the calculation. This work was carried out in part under the auspices of the National Nuclear Security Administration of the U.S. Department of Energy at Los Alamos National Laboratory and supported by Contract No. DE-AC52-06NA25396, by a DOE SciDAC grant DE-FC02-01ER41176, an NNSA ASC grant, and a subcontract to the ASCI FLASH Center at the University of Chicago.

  20. A flash photolysis-shock tube kinetic study of the H atom reaction with O sub 2 : H + O sub 2 rightleftharpoons OH + O (962 K le T le 1705 K) and H + O sub 2 + Ar yields HO sub 2 + Ar (746 K le T le 987 K)

    SciTech Connect

    Pirraglia, A.N.; Michael, J.V.; Sutherland, J.W.; Klemm, R.B. )

    1989-01-12

    Rate constants for the reactions H + O{sub 2} {yields} OH + O (1) and H + O{sub 2} + M {yields} HO{sub 2} + M (2) were measured under pseudo-first-order conditions by the flash photolysis-shock tube technique that employs the atomic resonance absorption detection method to monitor (H){sub t}. Rate data for reaction 1 were obtained over the temperature range from 962 to 1705 K, and the results are well represented by the Arrhenius expression k{sub 1}(T) = (2.79 {plus minus} 0.32) {times} 10{sup {minus}10} exp(-16132 {plus minus} 276 cal mol{sup {minus}1}/RT) cm{sup 3} molecule{sup {minus}1} s{sup {minus}1}. The mean deviation of the experimentally measured rate constants from those calculated by using this expression is {plus minus}16% over the stated temperature range. The recent shock tube data of Frank and Just (1693-2577 K) were combined with the present results for k{sub 1}(T) to obtain the following Arrhenius expression for the overall temperature span (962-2577 K); k{sub 1}(T) = (3.18 {plus minus} 0.24) {times} 10{sup {minus}10} exp(-16439 {plus minus} 186 cal mol{sup {minus}1}/RT) cm{sup 3} molecule{sup {minus}1} s{sup {minus}1}. The mean deviation of the experimentally measured rate constants from this expression is {plus minus}15% over the entire temperature range. Values for the rate constant for the reverse of reaction 1 were calculated from each of the experimentally measured K{sub 1}(T) values with expressions for the equilibrium constant derived by using the latest JANAF thermochemical data. These k{sub {minus}1}(T) values were also combined with similarly derived values from the Frank and Just data.

  1. Char yield on pyrolysis of cellulose

    Treesearch

    A. Broido; Maxine A. Nelson

    1975-01-01

    Whether the pyrolysis of cellulose is conducted in an inert medium or in air, partial pyrolysis at a lower temperature increases the char yield subsequently obtained after 1 hour at 370°C. The results are consistent with a pyrolysis scheme in which two competing sequences of cellulose pyrolysis reactions are initiated by (1) an intermolecular dehydration leading to...

  2. Argentina wheat yield model

    NASA Technical Reports Server (NTRS)

    Callis, S. L.; Sakamoto, C.

    1984-01-01

    Five models based on multiple regression were developed to estimate wheat yields for the five wheat growing provinces of Argentina. Meteorological data sets were obtained for each province by averaging data for stations within each province. Predictor variables for the models were derived from monthly total precipitation, average monthly mean temperature, and average monthly maximum temperature. Buenos Aires was the only province for which a trend variable was included because of increasing trend in yield due to technology from 1950 to 1963.

  3. Argentina soybean yield model

    NASA Technical Reports Server (NTRS)

    Callis, S. L.; Sakamoto, C.

    1984-01-01

    A model based on multiple regression was developed to estimate soybean yields for the country of Argentina. A meteorological data set was obtained for the country by averaging data for stations within the soybean growing area. Predictor variables for the model were derived from monthly total precipitation and monthly average temperature. A trend variable was included for the years 1969 to 1978 since an increasing trend in yields due to technology was observed between these years.

  4. Argentina corn yield model

    NASA Technical Reports Server (NTRS)

    Callis, S. L.; Sakamoto, C.

    1984-01-01

    A model based on multiple regression was developed to estimate corn yields for the country of Argentina. A meteorological data set was obtained for the country by averaging data for stations within the corn-growing area. Predictor variables for the model were derived from monthly total precipitation, average monthly mean temperature, and average monthly maximum temperature. A trend variable was included for the years 1965 to 1980 since an increasing trend in yields due to technology was observed between these years.

  5. Study of (178m2)hafnium(gamma, gamma')(178)hafnium reaction by nuclear spectroscopy methods

    NASA Astrophysics Data System (ADS)

    Rusu, Claudiu

    Controlled release of the energy stored in nuclear isomers is very attractive for producing powerful sources of induced gamma-ray radiation. High-energy nuclear isomers can have very long lifetimes of the order of years and thus they can serve as good energy storage media. For instance, 1 mg of the 178m2Hf isomer stores about 1 MJ as excitation energy of the isomeric state. One of the most promising ways to release the energy stored in the isomeric state involves photonuclear reactions in the energy range of soft X-rays. Photons with energies lower than 20 keV can excite the 178m2Hf isomeric state to an intermediate level from which gamma transitions cascade to lower levels with a decay rate much faster than the rate of spontaneous decay of the isomeric state. In this work, the photoexcitation of 178m2Hf by (gamma, gamma ') reactions at low energies was studied by nuclear spectroscopy methods. The experimental arrangement was based on the coincident detection of gamma photons with four large HPGe detectors. A bremsstrahlung X-ray generator was used as excitation source, which covered a continuous energy-range from 0 to 60 keV. The interpretation of the experimental results shows that the decay of the 178m2Hf isomer can be triggered by X-rays at a power on the order of only mW/cm 2. The analysis of the gamma-gamma coincidence data has revealed that during X-ray irradiations, a line of 129.5 keV was found in coincidence with the 213.4 keV ground state band (GSB) transition. The 129.5 keV line has not been previously observed and is not a known transition of the spontaneous decay of 178m2Hf. The 129.5 keV gamma transition must be a member of a sequence of gamma transitions that bypasses most of the normal decay cascade populated by spontaneous decay. This result leads to a deeper understanding of the (gamma, gamma ') reactions at low energies. These photonuclear reactions are of special interest because of the importance of possible practical applications. The studies

  6. Dynamic Reaction Figures: An Integrative Vehicle for Understanding Chemical Reactions

    ERIC Educational Resources Information Center

    Schultz, Emeric

    2008-01-01

    A highly flexible learning tool, referred to as a dynamic reaction figure, is described. Application of these figures can (i) yield the correct chemical equation by simply following a set of menu driven directions; (ii) present the underlying "mechanism" in chemical reactions; and (iii) help to solve quantitative problems in a number of different…

  7. Dynamic Reaction Figures: An Integrative Vehicle for Understanding Chemical Reactions

    ERIC Educational Resources Information Center

    Schultz, Emeric

    2008-01-01

    A highly flexible learning tool, referred to as a dynamic reaction figure, is described. Application of these figures can (i) yield the correct chemical equation by simply following a set of menu driven directions; (ii) present the underlying "mechanism" in chemical reactions; and (iii) help to solve quantitative problems in a number of different…

  8. Comparative timber-yields

    Treesearch

    I. T. Haig

    1932-01-01

    During the last decade the U. S. Forest Service and several of the forest schools have completed rather comprehensive studies of the growth and yield of a number of commercially important native conifers. As the majority of these studies show the volumes obtainable in fully-stocked stands to very similar standards of utilization, they furnish an excellent opportunity...

  9. Water yield and hydrology

    Treesearch

    Pamela J. Edwards; Charles A. Troendle

    2012-01-01

    Investigations of hydrologic responses resulting from reducing vegetation density are fairly common throughout the Eastern United States. Although most studies have focused on the potential for increasing water yields or documenting effects from intensive practices that far exceed what would be done for fuel-reduction objectives, data from some less-intensive...

  10. Ultrahigh-energy photonuclear cross sections

    SciTech Connect

    Gandhi, R.; Sarcevic, I.; Burrows, A. ); Durand, L.; Pi, H. )

    1990-07-01

    We present results of calculations of the total inelastic photon-air cross sections at ultrahigh energies (up to 10{sup 8} GeV in the laboratory) of relevance to on-going cosmic-ray experiments. The calculations take into account the high-energy QCD structure of the photon and are performed for a variety of photon and proton structure functions. The total inelastic photon-air cross section is obtained from the photon-proton jet cross section via an eikonalization procedure using a QCD-based diffractive model. The results are discussed in the context of the apparent excess muon content of air showers associated with point sources.

  11. Atmospheric Fluorescence Yield

    NASA Technical Reports Server (NTRS)

    Adams, James H., Jr.; Christl, M. J.; Fountain, W. F.; Gregory, J. C.; Martens, K.; Sokolsky, P.; Whitaker, Ann F. (Technical Monitor)

    2001-01-01

    Several existing and planned experiments estimate the energies of ultra-high energy cosmic rays from air showers using the atmospheric fluorescence from these showers. Accurate knowledge of the conversion from atmospheric fluorescence to energy loss by ionizing particles in the atmosphere is key to this technique. In this paper we discuss a small balloon-borne instrument to make the first in situ measurements versus altitude of the atmospheric fluorescence yield. The instrument can also be used in the lab to investigate the dependence of the fluorescence yield in air on temperature, pressure and the concentrations of other gases that present in the atmosphere. The results can be used to explore environmental effects on and improve the accuracy of cosmic ray energy measurements for existing ground-based experiments and future space-based experiments.

  12. Drug Reactions

    MedlinePlus

    ... or diabetes. But medicines can also cause unwanted reactions. One problem is interactions, which may occur between ... more serious. Drug allergies are another type of reaction. They can be mild or life-threatening. Skin ...

  13. Photochemical reaction cycle of bacteriorhodopsin

    SciTech Connect

    Lanyi, J.K.

    1994-12-31

    The complex spectroscopic transformations during the reaction cycle of the light-driven proton pump, bacteriorhodopsin, are satisfactorily explained with a single-photoreaction scheme, which contains reversible reactions. The proposed model, derived by fitting time-resolved difference spectra, is BR {yields}{sup hv} K {leftrightarrow} L {leftrightarrow} M{sub 1} {yields} M{sub 2} {leftrightarrow} N {leftrightarrow} O {yields} BR. Some of these reactions are correlated with retinal bond motions, others with proton transfers internal and external to the protein. Thermodynamic analysis indicates that mechanistic coupling to proton potential is at the M{sub 1} {yields} M{sub 2} step, which also functions as the switch that confers direction to the net proton translocation. 92 refs., 5 figs.

  14. Atmospheric pressure microwave assisted heterogeneous catalytic reactions.

    PubMed

    Chemat-Djenni, Zoubida; Hamada, Boudjema; Chemat, Farid

    2007-07-11

    The purpose of the study was to investigate microwave selective heating phenomena and their impact on heterogeneous chemical reactions. We also present a tool which will help microwave chemists to answer to such questions as "My reaction yields 90% after 7 days at reflux; is it possible to obtain the same yield after a few minutes under microwaves?" and to have an approximation of their reactions when conducted under microwaves with different heterogeneous procedures. This model predicting reaction kinetics and yields under microwave heating is based on the Arrhenius equation, in agreement with experimental data and procedures.

  15. Interactive effects of pests increase seed yield.

    PubMed

    Gagic, Vesna; Riggi, Laura Ga; Ekbom, Barbara; Malsher, Gerard; Rusch, Adrien; Bommarco, Riccardo

    2016-04-01

    Loss in seed yield and therefore decrease in plant fitness due to simultaneous attacks by multiple herbivores is not necessarily additive, as demonstrated in evolutionary studies on wild plants. However, it is not clear how this transfers to crop plants that grow in very different conditions compared to wild plants. Nevertheless, loss in crop seed yield caused by any single pest is most often studied in isolation although crop plants are attacked by many pests that can cause substantial yield losses. This is especially important for crops able to compensate and even overcompensate for the damage. We investigated the interactive impacts on crop yield of four insect pests attacking different plant parts at different times during the cropping season. In 15 oilseed rape fields in Sweden, we estimated the damage caused by seed and stem weevils, pollen beetles, and pod midges. Pest pressure varied drastically among fields with very low correlation among pests, allowing us to explore interactive impacts on yield from attacks by multiple species. The plant damage caused by each pest species individually had, as expected, either no, or a negative impact on seed yield and the strongest negative effect was caused by pollen beetles. However, seed yield increased when plant damage caused by both seed and stem weevils was high, presumably due to the joint plant compensatory reaction to insect attack leading to overcompensation. Hence, attacks by several pests can change the impact on yield of individual pest species. Economic thresholds based on single species, on which pest management decisions currently rely, may therefore result in economically suboptimal choices being made and unnecessary excessive use of insecticides.

  16. Empirical estimation of astrophysical photodisintegration rates of 106Cd

    NASA Astrophysics Data System (ADS)

    Belyshev, S. S.; Kuznetsov, A. A.; Stopani, K. A.

    2017-09-01

    It has been noted in previous experiments that the ratio between the photoneutron and photoproton disintegration channels of 106Cd might be considerably different from predictions of statistical models. The thresholds of these reactions differ by several MeV and the total astrophysical rate of photodisintegration of 106Cd, which is mostly produced in photonuclear reactions during the p-process nucleosynthesis, might be noticeably different from the calculated value. In this work the bremsstrahlung beam of a 55.6 MeV microtron and the photon activation technique is used to measure yields of photonuclear reaction products on isotopically-enriched cadmium targets. The obtained results are compared with predictions of statistical models. The experimental yields are used to estimate photodisintegration reaction rates on 106Cd, which are then used in nuclear network calculations to examine the effects of uncertainties on the produced abundences of p-nuclei.

  17. Drilling ban yields verdict

    SciTech Connect

    Nation, L.M.

    1992-01-01

    This paper briefly reviews a lawsuit which is under appeal by the State of Michigan regarding a takings claim filed over a petroleum exploration site. The dispute arose as a result of a 1987 decision by the Michigan Department of Natural Resources forbidding the property owners from developing the mineral rights leased to Miller Brothers in the Huron/Manistee National Forest. This area is bisected by a trend of Silurian Niagaran reef complexes which has a known production history throughout the State. The dunes area of the national forest has been deemed a wilderness area. As a result of the State's decision, the courts have awarded a sum of 71 million dollars to the developer to cover damages and lost resources. The reserve estimates were taken from adjacent areas which showed that the Niagaran reefs are relatively consistent in their yield.

  18. NEGATIVE PION PHOTOPRODUCTION FROM BISMUTH ACCOMPANIED BY NEUTRON EMISSION,

    DTIC Science & Technology

    BISMUTH, PIONS, EMISSIVITY, BREMSSTRAHLUNG, NUCLEI, ALPHA PARTICLE DETECTORS, PROTON REACTIONS, RADIOACTIVITY, PHOTONUCLEAR REACTIONS, POLONIUM , NUCLEAR STRUCTURE, MATHEMATICAL MODELS, PROBABILITY, SURFACES, DISTRIBUTION.

  19. Cross section for the reaction {sup 115}In(γ, γ′){sup 115m} In in the region of the E1 giant resonance

    SciTech Connect

    Dzhilavyan, L. Z.

    2015-07-15

    The cross section for the reaction {sup 115}In(γ, γ′){sub 115m}In was measured for photon energies in the range of E{sub γ} ≅ 4–46 MeV. The parameters of the peak in this cross section near the threshold for the reaction {sup 115}In(γ, n), (E{sub γ}){sub (γ,n)}{sup thr}, were refined. It is shown that, in the cross section for the reaction {sup 115}In(γ, γ′){sup 115m}In at Eγ ∼ 27 MeV, there is no second peak for which δ{sub II}{sup int} would exceed about 0.2δ{sub I}{sup int} for the peak at E{sub γ} ∼ (E{sub γ}){sub (γ,n)}{sup thr}. The possibility of employing this reaction both in studying photonuclear reaction physics and in monitoring bremsstrahlung photons in gamma-activation studies was examined.

  20. Modified triglyceride oil through reactions with phenyltriazolinedione

    USDA-ARS?s Scientific Manuscript database

    The synthesis of a modified triglyceride oil was achieved through the reactions with 4-phenyl-1,2-4-triazoline-3,5-dione (PTAD). 1H NMR was used for structure determination and to monitor the reactions. Several reaction products were produced, and their relative yields depended on the stoichiometry ...

  1. Reaction Order Ambiguity in Integrated Rate Plots

    ERIC Educational Resources Information Center

    Lee, Joe

    2008-01-01

    Integrated rate plots are frequently used in reaction kinetics to determine orders of reactions. It is often emphasised, when using this methodology in practice, that it is necessary to monitor the reaction to a substantial fraction of completion for these plots to yield unambiguous orders. The present article gives a theoretical and statistical…

  2. Reaction Order Ambiguity in Integrated Rate Plots

    ERIC Educational Resources Information Center

    Lee, Joe

    2008-01-01

    Integrated rate plots are frequently used in reaction kinetics to determine orders of reactions. It is often emphasised, when using this methodology in practice, that it is necessary to monitor the reaction to a substantial fraction of completion for these plots to yield unambiguous orders. The present article gives a theoretical and statistical…

  3. Yield enhancement with DFM

    NASA Astrophysics Data System (ADS)

    Paek, Seung Weon; Kang, Jae Hyun; Ha, Naya; Kim, Byung-Moo; Jang, Dae-Hyun; Jeon, Junsu; Kim, DaeWook; Chung, Kun Young; Yu, Sung-eun; Park, Joo Hyun; Bae, SangMin; Song, DongSup; Noh, WooYoung; Kim, YoungDuck; Song, HyunSeok; Choi, HungBok; Kim, Kee Sup; Choi, Kyu-Myung; Choi, Woonhyuk; Jeon, JoongWon; Lee, JinWoo; Kim, Ki-Su; Park, SeongHo; Chung, No-Young; Lee, KangDuck; Hong, YoungKi; Kim, BongSeok

    2012-03-01

    A set of design for manufacturing (DFM) techniques have been developed and applied to 45nm, 32nm and 28nm logic process technologies. A noble technology combined a number of potential confliction of DFM techniques into a comprehensive solution. These techniques work in three phases for design optimization and one phase for silicon diagnostics. In the DFM prevention phase, foundation IP such as standard cells, IO, and memory and P&R tech file are optimized. In the DFM solution phase, which happens during ECO step, auto fixing of process weak patterns and advanced RC extraction are performed. In the DFM polishing phase, post-layout tuning is done to improve manufacturability. DFM analysis enables prioritization of random and systematic failures. The DFM technique presented in this paper has been silicon-proven with three successful tape-outs in Samsung 32nm processes; about 5% improvement in yield was achieved without any notable side effects. Visual inspection of silicon also confirmed the positive effect of the DFM techniques.

  4. {lambda}(1520) {yields} {lambda}{gamma} Radiative-Decay Width

    SciTech Connect

    Vavilov, D.V.; Antipov, Yu.M.; Artamonov, A.V.; Batarin, V.A.; Victorov, V.A.; Golovkin, S.V.; Gorin, Yu.P.; Eroshin, O.V.; Kozhevnikov, A.P.; Konstantinov, A.S.; Kubarovsky, V.P.; Kurshetsov, V.F.; Landsberg, L.G.; Leontiev, V.M.; Molchanov, V.V.; Mukhin, V.A.; Patalakha, D.I.; Petrenko, S.V.; Petrukhin, A.I.; Kolganov, V.Z.

    2005-03-01

    The radiative decay {lambda}(1520) {yields} {lambda}{gamma} was recorded in the exclusive reaction p + N {yields} {lambda}(1520)K{sup +} + N at the SPHINX facility. The branching ratio for this decay and the corresponding partial width were found to be, respectively, Br[{lambda}(1520) {yields} {lambda}{gamma}] = (1.02 {+-} 0.21) x 10{sup -2} and {gamma}[{lambda}(1520) {yields} {lambda}{gamma}] = 159 {+-} 35 keV (the quoted errors are purely statistical, the systematic errors being within 15%)

  5. Estimating oak growth and yield

    Treesearch

    Martin E. Dale; Donald E. Hilt

    1989-01-01

    Yields from upland oak stands vary widely from stand to stand due to differences in age, site quality, species composition, and stand structure. Cutting history and other past disturbances such as grazing or fire also affect yields.

  6. Shortcomings in wheat yield predictions

    NASA Astrophysics Data System (ADS)

    Semenov, Mikhail A.; Mitchell, Rowan A. C.; Whitmore, Andrew P.; Hawkesford, Malcolm J.; Parry, Martin A. J.; Shewry, Peter R.

    2012-06-01

    Predictions of a 40-140% increase in wheat yield by 2050, reported in the UK Climate Change Risk Assessment, are based on a simplistic approach that ignores key factors affecting yields and hence are seriously misleading.

  7. Crop yield gaps in Cameroon.

    PubMed

    Yengoh, Genesis T; Ardö, Jonas

    2014-03-01

    Although food crop yields per hectare have generally been increasing in Cameroon since 1961, the food price crisis of 2008 and the ensuing social unrest and fatalities raised concerns about the country's ability to meet the food needs of its population. This study examines the country's potential for increasing crop yields and food production to meet this food security challenge. Fuzzy set theory is used to develop a biophysical spatial suitability model for different crops, which in turn is employed to ascertain whether crop production is carried out in biophysically suited areas. We use linear regression to examine the trend of yield development over the last half century. On the basis of yield data from experimental stations and farmers' fields we assess the yield gap for major food crops. We find that yields have generally been increasing over the last half century and that agricultural policies can have significant effects on them. To a large extent, food crops are cultivated in areas that are biophysically suited for their cultivation, meaning that the yield gap is not a problem of biophysical suitability. Notwithstanding, there are significantly large yield gaps between actual yields on farmers' farms and maximum attainable yields from research stations. We conclude that agronomy and policies are likely to be the reasons for these large yield gaps. A key challenge to be addressed in closing the yield gaps is that of replenishing and properly managing soil nutrients.

  8. High-yield synthesis of bioactive ethyl cinnamate by enzymatic esterification of cinnamic acid.

    PubMed

    Wang, Yun; Zhang, Dong-Hao; Zhang, Jiang-Yan; Chen, Na; Zhi, Gao-Ying

    2016-01-01

    In this paper, Lipozyme TLIM-catalyzed synthesis of ethyl cinnamate through esterification of cinnamic acid with ethanol was studied. In order to increase the yield of ethyl cinnamate, several media, including acetone, isooctane, DMSO and solvent-free medium, were investigated in this reaction. The reaction showed a high yield by using isooctane as reaction medium, which was found to be much higher than the yields reported previously. Furthermore, several parameters such as shaking rate, water activity, reaction temperature, substrate molar ratio and enzyme loading had important influences on this reaction. For instance, when temperature increased from 10 to 50 °C, the initial reaction rate increased by 18 times and the yield of ethyl cinnamate increased by 6.2 times. Under the optimum conditions, lipase-catalyzed synthesis of ethyl cinnamate gave a maximum yield of 99%, which was of general interest for developing industrial processes for the preparation of ethyl cinnamate.

  9. Cutaneous adverse reactions to lenalidomide.

    PubMed

    Imbesi, S; Allegra, A; Calapai, G; Musolino, C; Gangemi, S

    2015-01-01

    Lenalidomide is an immunomodulatory drug (IMiD) used principally in the treatment of multiple myeloma (MM), myelodysplastic syndromes (MS) and amyloidosis. Adverse reactions related to lenalidomide include myelosuppression (mainly neutropenia but also thrombocytopenia), gastrointestinal problems, skin eruption, atrial fibrillation and asthenia, decreased peripheral blood stem cell yield during stem cell collection, venous thromboembolism, and secondary malignances. In this review we focused our attention on the cutaneous adverse reactions to lenalidomide.

  10. 237Np absolute delayed neutron yield measurements

    NASA Astrophysics Data System (ADS)

    Doré, D.; Ledoux, X.; Nolte, R.; Gagnon-Moisan, F.; Thulliez, L.; Litaize, O.; Roettger, S.; Serot, O.

    2017-09-01

    237Np absolute delayed neutron yields have been measured at different incident neutron energies from 1.5 to 16 MeV. The experiment was performed at the Physikalisch-Technische Bundesanstalt (PTB) facility where the Van de Graaff accelerator and the cyclotron CV28 delivered 9 different neutron energy beams using p+T, d+D and d+T reactions. The detection system is made up of twelve 3He tubes inserted into a polyethylene cylinder. In this paper, the experimental setup and the data analysis method are described. The evolution of the absolute DN yields as a function of the neutron incident beam energies are presented and compared to experimental data found in the literature and data from the libraries.

  11. Mineral-water reactions in metamorphism and volcanism

    USGS Publications Warehouse

    Barnes, I.

    1985-01-01

    Low-temperature (120??C and less) metamorphism of graywacke, granite and andesite yields zeolites and precursor gels by reaction with fresh water but low-greenschist facies by reaction with salt (sea)water. ?? 1985.

  12. Fundamental reaction pathways during coprocessing

    SciTech Connect

    Stock, L.M.; Gatsis, J.G. . Dept. of Chemistry)

    1992-12-01

    The objective of this research was to investigate the fundamental reaction pathways in coal petroleum residuum coprocessing. Once the reaction pathways are defined, further efforts can be directed at improving those aspects of the chemistry of coprocessing that are responsible for the desired results such as high oil yields, low dihydrogen consumption, and mild reaction conditions. We decided to carry out this investigation by looking at four basic aspects of coprocessing: (1) the effect of fossil fuel materials on promoting reactions essential to coprocessing such as hydrogen atom transfer, carbon-carbon bond scission, and hydrodemethylation; (2) the effect of varied mild conditions on the coprocessing reactions; (3) determination of dihydrogen uptake and utilization under severe conditions as a function of the coal or petroleum residuum employed; and (4) the effect of varied dihydrogen pressure, temperature, and residence time on the uptake and utilization of dihydrogen and on the distribution of the coprocessed products. Accomplishments are described.

  13. The aromatic ene reaction

    NASA Astrophysics Data System (ADS)

    Niu, Dawen; Hoye, Thomas R.

    2014-01-01

    The ene reaction is a pericyclic process in which an alkene with an allylic hydrogen atom (the ene donor) reacts with a second unsaturated species (the enophile) to form a new product with a transposed π-bond. The aromatic ene reaction, in which the alkene component is embedded in an aromatic ring, has only been reported in a few (four) instances and has proceeded in low yield (≤6%). Here, we show efficient aromatic ene reactions in which a thermally generated aryne intermediate engages a pendant m-alkylarene substituent to produce a dearomatized isotoluene, itself another versatile but rare reactive intermediate. Our experiments were guided by computational studies that revealed structural features conducive to the aromatic ene process. We proceeded to identify a cascade comprising three reactions: (1) hexadehydro-Diels-Alder (for aryne generation), (2) intramolecular aromatic ene and (3) bimolecular Alder ene. The power of this cascade is evident from the structural complexity of the final products, the considerable scope, and the overall efficiency of these multistage, reagent- and by-product-free, single-pot transformations.

  14. The aromatic ene reaction

    PubMed Central

    Niu, Dawen; Hoye, Thomas R.

    2014-01-01

    The ene reaction is a pericyclic process in which an alkene having an allylic hydrogen atom (the ene donor) reacts with a second unsaturated species (the enophile) to form a new product with a transposed π-bond. The aromatic ene reaction, in which the alkene component is embedded in an aromatic ring, has only been reported in a few (four) instances and has proceeded in low yield (≤6%). Here we show efficient aromatic ene reactions in which a thermally generated aryne engages a pendant m-alkylarene substituent to produce a dearomatized isotoluene, itself another versatile but rare reactive intermediate. Our experiments were guided by computational studies that revealed structural features conducive to the aromatic ene process. We proceeded to identify a cascade comprising three reactions: (i) hexadehydro-Diels-Alder (for aryne generation), (ii) intramolecular aromatic ene, and (iii) bimolecular Alder ene. The power of this cascade is evident from the structural complexity of the final products, the considerable scope, and the overall efficiency of these multi-stage, reagent- and byproduct-free, single-pot transformations. PMID:24345944

  15. An ESI-MS Method to Determine Yield and Enantioselectivity in a Single Assay

    NASA Astrophysics Data System (ADS)

    Smith, Maureen E.; Knolls, Steven A.; Thompson, MyLe; Masterson, Douglas S.

    2015-03-01

    A mass spectrometry assay is presented here that allows for the simultaneous determination of yield and enantioselectivity in a single analysis. The assay makes use of molecules that are structurally similar to the analytes of interest as standards. The assay predicts the yields of the reactions reasonably well and with little error. For example, in the pig liver esterase catalyzed hydrolysis of one prochiral malonate, the yield predicted by the assay was 72%, while larger scale isolated reaction yields were within 5% of this value. This assay provides a fast method to determine yield and enantioselectivity in one analysis. The strengths and limitations of this method are discussed.

  16. Incorporating phenology into yield models

    NASA Astrophysics Data System (ADS)

    Gray, J. M.; Friedl, M. A.

    2015-12-01

    Because the yields of many crops are sensitive to meteorological forcing during specific growth stages, phenological information has potential utility in yield mapping and forecasting exercises. However, most attempts to explain the spatiotemporal variability in crop yields with weather data have relied on growth stage definitions that do not change from year-to-year, even though planting, maturity, and harvesting dates show significant interannual variability. We tested the hypothesis that quantifying temperature exposures over dynamically determined growth stages would better explain observed spatiotemporal variability in crop yields than statically defined time periods. Specifically, we used National Agricultural and Statistics Service (NASS) crop progress data to identify the timing of the start of the maize reproductive growth stage ("silking"), and examined the correlation between county-scale yield anomalies and temperature exposures during either the annual or long-term average silking period. Consistent with our hypothesis and physical understanding, yield anomalies were more correlated with temperature exposures during the actual, rather than the long-term average, silking period. Nevertheless, temperature exposures alone explained a relatively low proportion of the yield variability, indicating that other factors and/or time periods are also important. We next investigated the potential of using remotely sensed land surface phenology instead of NASS progress data to retrieve crop growth stages, but encountered challenges related to crop type mapping and subpixel crop heterogeneity. Here, we discuss the potential of overcoming these challenges and the general utility of remotely sensed land surface phenology in crop yield mapping.

  17. Breeding cassava for higher yield

    USDA-ARS?s Scientific Manuscript database

    Cassava is a root crop grown for food and for starch production. Breeding progress is slowed by asexual production and high levels of heterozygosity. Germplasm resources are rich and accessible to breeders through genebanks worldwide. Breeding objectives include high root yield, yield stability, dis...

  18. Brazil soybean yield covariance model

    NASA Technical Reports Server (NTRS)

    Callis, S. L.; Sakamoto, C.

    1984-01-01

    A model based on multiple regression was developed to estimate soybean yields for the seven soybean-growing states of Brazil. The meteorological data of these seven states were pooled and the years 1975 to 1980 were used to model since there was no technological trend in the yields during these years. Predictor variables were derived from monthly total precipitation and monthly average temperature.

  19. Rx for low cash yields.

    PubMed

    Tobe, Chris

    2003-10-01

    Certain strategies can offer not-for-profit hospitals potentially greater investment yields while maintaining stability and principal safety. Treasury inflation-indexed securities can offer good returns, low volatility, and inflation protection. "Enhanced cash" strategies offer liquidity and help to preserve capital. Stable value "wrappers" allow hospitals to pursue higher-yielding fixed-income securities without an increase in volatility.

  20. Anomalous DD and TT yields relative to the DT yield in inertial-confinement-fusion implosions

    NASA Astrophysics Data System (ADS)

    Casey, Daniel T.

    2011-10-01

    Measurements of the D(d,p)T (DD), T(t,2n)4He (TT) and D(t,n)4He (DT) reactions have been conducted using deuterium-tritium gas-filled inertial confinement fusion (ICF) implosions. In these experiments, which were carried out at the OMEGA laser facility, absolute spectral measurements of the DD protons and TT neutrons were conducted and compared to neutron-time-of-flight measured DT-neutron yields. From these measurements, it is concluded that the DD yield is anomalously low and the TT yield is anomalously high relative to the DT yield, an effect that is enhanced with increasing ion temperature. These results can be explained by an enrichment of tritium in the core of an ICF implosion, which may be present in ignition experiments planned on the National Ignition Facility. In addition, the spectral measurements of the TT-neutron spectrum were conducted for the first time at reactant central-mass energies in the range of 15-30 keV. The results from these measurements indicate that the TT reaction proceeds primarily through the direct three-body reaction channel, producing a continuous TT-neutron spectrum in the range 0 - 9.5 MeV. This work was conducted in collaboration with J. A. Frenje, M. Gatu Johnson, M. J.-E. Manuel, H. G. Rinderknecht, N. Sinenian, F. H. Seguin, C. K. Li, R. D. Petrasso, P. B. Radha, J. A. Delettrez, V. Yu Glebov, D. D. Meyerhofer, T. C. Sangster, D. P. McNabb, P. A. Amendt, R. N. Boyd, J. R. Rygg, H. W. Herrmann, Y. H. Kim, G. P. Grim and A. D. Bacher. This work was supported in part by the U.S. Department of Energy (Grant No. DE-FG03-03SF22691), LLE (subcontract Grant No. 412160-001G), LLNL (subcontract Grant No. B504974).

  1. Quantitative analysis of microbial biomass yield in aerobic bioreactor.

    PubMed

    Watanabe, Osamu; Isoda, Satoru

    2013-12-01

    We have studied the integrated model of reaction rate equations with thermal energy balance in aerobic bioreactor for food waste decomposition and showed that the integrated model has the capability both of monitoring microbial activity in real time and of analyzing biodegradation kinetics and thermal-hydrodynamic properties. On the other hand, concerning microbial metabolism, it was known that balancing catabolic reactions with anabolic reactions in terms of energy and electron flow provides stoichiometric metabolic reactions and enables the estimation of microbial biomass yield (stoichiometric reaction model). We have studied a method for estimating real-time microbial biomass yield in the bioreactor during food waste decomposition by combining the integrated model with the stoichiometric reaction model. As a result, it was found that the time course of microbial biomass yield in the bioreactor during decomposition can be evaluated using the operational data of the bioreactor (weight of input food waste and bed temperature) by the combined model. The combined model can be applied to manage a food waste decomposition not only for controlling system operation to keep microbial activity stable, but also for producing value-added products such as compost on optimum condition. Copyright © 2013 The Research Centre for Eco-Environmental Sciences, Chinese Academy of Sciences. Published by Elsevier B.V. All rights reserved.

  2. Covariance Matrix Evaluations for Independent Mass Fission Yields

    SciTech Connect

    Terranova, N.; Serot, O.; Archier, P.; De Saint Jean, C.

    2015-01-15

    Recent needs for more accurate fission product yields include covariance information to allow improved uncertainty estimations of the parameters used by design codes. The aim of this work is to investigate the possibility to generate more reliable and complete uncertainty information on independent mass fission yields. Mass yields covariances are estimated through a convolution between the multi-Gaussian empirical model based on Brosa's fission modes, which describe the pre-neutron mass yields, and the average prompt neutron multiplicity curve. The covariance generation task has been approached using the Bayesian generalized least squared method through the CONRAD code. Preliminary results on mass yields variance-covariance matrix will be presented and discussed from physical grounds in the case of {sup 235}U(n{sub th}, f) and {sup 239}Pu(n{sub th}, f) reactions.

  3. Topologically invariant reaction coordinates for simulating multistate chemical reactions.

    PubMed

    Mones, Letif; Csányi, Gábor

    2012-12-27

    Evaluating free energy profiles of chemical reactions in complex environments such as solvents and enzymes requires extensive sampling, which is usually performed by potential of mean force (PMF) techniques. The reliability of the sampling depends not only on the applied PMF method but also the reaction coordinate space within the dynamics is biased. In contrast to simple geometrical collective variables that depend only on the positions of the atomic coordinates of the reactants, the E(gap) reaction coordinate (the energy difference obtained by evaluating a suitable force field using reactant and product state topologies) has the unique property that it is able to take environmental effects into account leading to better convergence, a more faithful description of the transition state ensemble and therefore more accurate free energy profiles. However, E(gap) requires predefined topologies and is therefore inapplicable for multistate reactions, in which the barrier between the chemically equivalent topologies is comparable to the reaction activation barrier, because undesired "side reactions" occur. In this article, we introduce a new energy-based collective variable by generalizing the E(gap) reaction coordinate such that it becomes invariant to equivalent topologies and show that it yields more well behaved free energy profiles than simpler geometrical reaction coordinates.

  4. Decomposing global crop yield variability

    NASA Astrophysics Data System (ADS)

    Ben-Ari, Tamara; Makowski, David

    2014-11-01

    Recent food crises have highlighted the need to better understand the between-year variability of agricultural production. Although increasing future production seems necessary, the globalization of commodity markets suggests that the food system would also benefit from enhanced supplies stability through a reduction in the year-to-year variability. Here, we develop an analytical expression decomposing global crop yield interannual variability into three informative components that quantify how evenly are croplands distributed in the world, the proportion of cultivated areas allocated to regions of above or below average variability and the covariation between yields in distinct world regions. This decomposition is used to identify drivers of interannual yield variations for four major crops (i.e., maize, rice, soybean and wheat) over the period 1961-2012. We show that maize production is fairly spread but marked by one prominent region with high levels of crop yield interannual variability (which encompasses the North American corn belt in the USA, and Canada). In contrast, global rice yields have a small variability because, although spatially concentrated, much of the production is located in regions of below-average variability (i.e., South, Eastern and South Eastern Asia). Because of these contrasted land use allocations, an even cultivated land distribution across regions would reduce global maize yield variance, but increase the variance of global yield rice. Intermediate results are obtained for soybean and wheat for which croplands are mainly located in regions with close-to-average variability. At the scale of large world regions, we find that covariances of regional yields have a negligible contribution to global yield variance. The proposed decomposition could be applied at any spatial and time scales, including the yearly time step. By addressing global crop production stability (or lack thereof) our results contribute to the understanding of a key

  5. Grapevine canopy reflectance and yield

    NASA Technical Reports Server (NTRS)

    Minden, K. A.; Philipson, W. R.

    1982-01-01

    Field spectroradiometric and airborne multispectral scanner data were applied in a study of Concord grapevines. Spectroradiometric measurements of 18 experimental vines were collected on three dates during one growing season. Spectral reflectance, determined at 30 intervals from 0.4 to 1.1 microns, was correlated with vine yield, pruning weight, clusters/vine, and nitrogen input. One date of airborne multispectral scanner data (11 channels) was collected over commercial vineyards, and the average radiance values for eight vineyard sections were correlated with the corresponding average yields. Although some correlations were significant, they were inadequate for developing a reliable yield prediction model.

  6. How to predict coker yield

    SciTech Connect

    Castiglioni, B.B.

    1983-09-01

    When planning studies require estimates of product yields from delayed coking, this method will help. It requires the use of two readily obtainable feed properties: API gravity and Conradson carbon. These properties, together with the key process variables of the coking unit, are used with the accompanying graphs to determine the yield structure. The calculated yields are those coming from the coke drum. An additional adjustment might be needed to correct for overlaps that might occur during fractionation. The adjustment would estimate the amount of gasoline remaining in the gas oil and the amount of gas oil carried away with the gasoline.

  7. Grapevine canopy reflectance and yield

    NASA Technical Reports Server (NTRS)

    Minden, K. A.; Philipson, W. R.

    1982-01-01

    Field spectroradiometric and airborne multispectral scanner data were applied in a study of Concord grapevines. Spectroradiometric measurements of 18 experimental vines were collected on three dates during one growing season. Spectral reflectance, determined at 30 intervals from 0.4 to 1.1 microns, was correlated with vine yield, pruning weight, clusters/vine, and nitrogen input. One date of airborne multispectral scanner data (11 channels) was collected over commercial vineyards, and the average radiance values for eight vineyard sections were correlated with the corresponding average yields. Although some correlations were significant, they were inadequate for developing a reliable yield prediction model.

  8. Inherent peculiarities in nuclear reaction analysis

    SciTech Connect

    Arafah, D.; Meyer, J.D.

    1988-08-01

    A detailed description of the kinematics governing a nuclear reaction analysis is presented for exothermic reactions. In particular, the peculiar behavior demonstrated when the emitted particle energy decreases with increasing bombarding energy is emphasized. The method is applied to /sup 16/O(d,p)/sup 17/O and D(d,p)T reactions from SiO/sub 2/ and D/sub 2/O targets, respectively. Moreover, an algorithm was written to compute reaction cross sections as a function of energy or concentration as a function of depth from the measured reaction yields.

  9. Surface reactions in microelectronics process technology.

    PubMed

    Levitin, Galit; Hess, Dennis W

    2011-01-01

    Current integrated circuit (IC) manufacturing consists of more than 800 process steps, nearly all of which involve reactions at surfaces that significantly impact device yield and performance. From initial surface preparation through film deposition, patterning, etching, residue removal, and metallization, an understanding of surface reactions and interactions is critical to the successful continuous scaling, yield, and reliability of electronic devices. In this review, some of the most important surface reactions that drive the development of microelectronic device fabrication are described. The reactions discussed do not constitute comprehensive coverage of this topic in IC manufacture but have been selected to demonstrate the importance of surface/interface reactions and interactions in the development of new materials, processing sequences, and process integration challenges. Specifically, the review focuses on surface reactions related to surface cleaning/preparation, semiconductor film growth, dielectric film growth, metallization, and etching (dry and wet).

  10. Chemistry of heavy ion reactions

    SciTech Connect

    Hoffman, D.C.

    1988-10-01

    The use of heavy ions to induce nuclear reactions was reported as early as 1950. Since that time it has been one of the most active areas of nuclear research. Intense beams of ions as heavy as uranium with energies high enough to overcome the Coulomb barriers of even the heaviest elements are available. The wide variety of possible reactions gives rise to a multitude of products which have been studied by many ingenious chemical and physical techniques. Chemical techniques have been of special value for the separation and unequivocal identification of low yield species from the plethora of other nuclides present. Heavy ion reactions have been essential for the production of the trans-Md elements and a host of new isotopes. The systematics of compound nucleus reactions, transfer reactions, and deeply inelastic reactions have been elucidated using chemical techniques. A review of the variety of chemical procedures and techniques which have been developed for the study of heavy ion reactions and their products is given. Determination of the chemical properties of the trans-Md elements, which are very short-lived and can only be produced an ''atom-at-a-time'' via heavy ion reactions, is discussed. 53 refs., 19 figs.

  11. Cycloaddition reaction of 2-vinylazetidines with benzyne: a facile access to 1-benzazocine derivatives.

    PubMed

    Aoki, Takashi; Koya, Shunsuke; Yamasaki, Ryu; Saito, Shinichi

    2012-09-07

    The cycloaddition reaction of 2-vinylazetidines with benzyne proceeded smoothly without a catalyst, and various benzazocine derivatives were isolated in good to high yields. The scope of the reaction, as well as the reactions of other arynes, has been studied.

  12. Yield surfaces for anisotropic plates

    NASA Astrophysics Data System (ADS)

    Walker, J. D.; Thacker, B. H.

    2000-04-01

    Aerospace systems are incorporating composite materials into their structures. The composite materials are often anisotropic in mechanical response due to their geometric layout. For many years, the failure surfaces of anisotropic materials were thought to be characterizable by a quadratic function in the stress, referred to as a Tsai-Wu yield surface, or, in a more restrictive form, a Tsai-Hill yield surface. Such a representation does not work for materials that are strong in two directions and weak in one direction, which is the case of most interest since it represents fiber/epoxy composite plates. This paper demonstrates the impossibility of modeling the failure surface with either the Tsai-Wu or Tsai-Hill failure surfaces. A yield surface is presented based on the lemniscate, which is quartic in the stress. This new yield surface addresses the case of strong in two directions and weak in one.

  13. Integrated process for high conversion and high yield protein PEGylation.

    PubMed

    Pfister, David; Morbidelli, Massimo

    2016-08-01

    Over the past decades, PEGylation has become a powerful technique to increase the in vivo circulation half-life of therapeutic proteins while maintaining their activity. The development of new therapeutic proteins is likely to require further improvement of the PEGylation methods to reach even better selectivity and yield for reduced costs. The intensification of the PEGylation process was investigated through the integration of a chromatographic step in order to increase yield and conversion for the production of mono-PEGylated protein. Lysozyme was used as a model protein to demonstrate the feasibility of such approach. In the integrated reaction/separation process, chromatography was used as fractionation technique in order to isolate and recycle the unreacted protein from the PEGylated products. This allows operating the reactor with short reaction times so as to minimize the production of multi-PEGylated proteins (i.e., conjugated to more than one polymer). That is, the reaction is stopped before the desired product (i.e., the mono-PEGylated protein) can further react, thus leading to limited conversion but high yield. The recycling of the unreacted protein was then considered to drive the protein overall conversion to completion. This approach has great potential to improve processes whose yield is limited by the further reaction of the product leading to undesirable by-products. Biotechnol. Bioeng. 2016;113: 1711-1718. © 2016 Wiley Periodicals, Inc.

  14. Brazil wheat yield covariance model

    NASA Technical Reports Server (NTRS)

    Callis, S. L.; Sakamoto, C.

    1984-01-01

    A model based on multiple regression was developed to estimate wheat yields for the wheat growing states of Rio Grande do Sul, Parana, and Santa Catarina in Brazil. The meteorological data of these three states were pooled and the years 1972 to 1979 were used to develop the model since there was no technological trend in the yields during these years. Predictor variables were derived from monthly total precipitation, average monthly mean temperature, and average monthly maximum temperature.

  15. Catalytic reactions in heavy-ion collisions

    NASA Astrophysics Data System (ADS)

    Kolomeitsev, E. E.; Tomášik, B.

    2012-06-01

    We discuss a new type of reactions of a ϕ-meson production on hyperons, πY → ϕY and antikaons -KN → ϕY. These reactions are not suppressed according to Okubo-Zweig-Iizuka rule and can be a new efficient source of ϕ mesons in a nucleus-nucleus collision. We discuss how these reactions can affect the centrality dependence and the rapidity distributions of the ϕ yield.

  16. Investigation of the reaction D(γ, n)H near the threshold by means of powerful femtosecond laser radiation

    NASA Astrophysics Data System (ADS)

    Tsymbalov, I. N.; Volkov, R. V.; Eremin, N. V.; Ivanov, K. A.; Nedorezov, V. G.; Paskhalov, A. A.; Polonskij, A. L.; Savel'ev, A. B.; Sobolevskij, N. M.; Turinge, A. A.; Shulyapov, S. A.

    2017-05-01

    The possibility of studying photonuclear reactions near the threshold by means of powerful femtosecond lasers is explored by considering the example of deuteron photodisintegration. The respective experiment was performed by employing the terawatt femtosecond laser facility of the International Laser Center at Moscow State University. The radiation from this facility is characterized by a pulse energy of up to 50 mJ, a duration of 50 fs, a repetition rate of 10 Hz, and a wavelength of 805 nm. This provides a power above 1018 W/cm2. Intense relativistic-electron and photon beams of energy up to 10 MeV were obtained after the optimization of relevant experimental parameters, including the focus of the laser beam, its time structure, and the choice of target. The use of these beams made it possible to study neutron generation in heavy water, to measure the time of neutron moderation, and to determine the detection efficiency. The experimental data obtained in this way are in qualitative agreement with the results of simulations based on the GEANT-4 and LOENT code packages and indicate that it is possible to create a neutron source on the basis of the aforementioned laser. The cross section measured for deuteron photodisintegration complies with theoretical estimates available in the literature.

  17. Yield Surfaces for Anisotropic Plates

    NASA Astrophysics Data System (ADS)

    Walker, J. D.; Thacker, B. H.

    1999-06-01

    Modern aerospace systems are incorporating composite materials into their structures. Often, the composite materials are anisotropic in their mechanical response due to the geometric layout of fibers. For many years, the failure surfaces of anisotropic materials were thought to be characterizable by a quadratic function in the stress, often referred to as a Tsai-Wu yield surface, or, in a more restrictive form, a Tsai-Hill yield surface. Such a representation does not work for materials that are strong in two directions and weak in one direction, which, unfortunately, is the case of most interest since it represents most composite plates. This paper demonstrates the impossibility of modeling the failure surface with both the Tsai-Wu and Tsai-Hill failure surfaces. We then present a yield surface based on the lemniscate, which is quartic in the stress. This new yield surface addresses the case of strong in two directions and weak in one. Calculations with a fragment impacting a composite plate modeled with the new yield surface are presented. Modifications of the yield surface are presented to allow, in a limited way, materials that are both anisotropic and have differing strengths in tension and compression.

  18. Acid soil infertility effects on peanut yields and yield components

    SciTech Connect

    Blamey, F.P.C.

    1983-01-01

    The interpretation of soil amelioration experiments with peanuts is made difficult by the unpredictibility of the crop and by the many factors altered when ameliorating acid soils. The present study was conducted to investigate the effects of lime and gypsum applications on peanut kernel yield via the three first order yield components, pods per ha, kernels per pod, and kernel mass. On an acid medium sandy loam soil (typic Plinthustult), liming resulted in a highly significant kernel yield increase of 117% whereas gypsum applications were of no significant benefit. As indicated by path coefficient analysis, an increase in the number of pods per ha was markedly more important in increasing yield than an increase in either the number of kernels per pod or kernel mass. Furthermore, exch. Al was found to be particularly detrimental to pod number. It was postulated that poor peanut yields resulting from acid soil infertility were mainly due to the depressive effect of exch. Al on pod number. Exch. Ca appeared to play a secondary role by ameliorating the adverse effects of exch. Al.

  19. Universality in fragment inclusive yields from Au+Au collisions

    NASA Astrophysics Data System (ADS)

    Insolia, A.; Tuvè, C.; Albergo, S.; Bieser, F.; Brady, F. P.; Caccia, Z.; Cebra, D.; Chacon, A. D.; Chance, J. L.; Choi, Y.; Costa, S.; Elliott, J. B.; Gilkes, M.; Hauger, J. A.; Hirsch, A. S.; Hjort, E. L.; Justice, M.; Keane, D.; Kintner, J.; Lisa, M.; Matis, H. S.; McMahan, M.; McParland, C.; Olson, D. L.; Partlan, M. D.; Porile, N. T.; Potenza, R.; Rai, G.; Rasmussen, J.; Ritter, H. G.; Romero, J. L.; Russo, G. V.; Scharenberg, R.; Scott, A.; Shao, Y.; Srivastava, B. K.; Symons, T. J. M.; Tincknell, M. L.; Wang, S.; Warren, P. G.; Wieman, H. H.; Wolf, K. L.

    2001-11-01

    The inclusive light fragment (Z⩽7) yield data in Au+Au reactions, measured by the EOS Collaboration at the LBNL Bevalac, are presented and discussed. For peripheral collisions the measured charge distributions develop progressively according to a power law which can be fitted by a single τ exponent independently of the bombarding energy in the range 250-1200 A MeV. In addition to this universal feature, we observe that the location of the maximum in the individual yields of different charged fragments shift towards lower multiplicity as the fragment charge increases from Z=3 to Z=7. This trend is common to all six measured beam energies. Moments of charge distributions and correlations among different moments are reported. Finally, the THe,DT thermometer has been constructed for central and peripheral collisions using the double yield ratios of He and D, T projectile fragments. The measured nuclear temperatures are in agreement with experimental findings in other fragmentation reactions.

  20. Laser-induced tissue reactions and dermatology.

    PubMed

    Weber, Rebecca J; Taylor, Brent R; Engelman, Dendy E

    2011-01-01

    Knowledge of laser tissue reactions and tissue properties allows the practitioner to tailor a treatment to an individual patient's need and goals. A laser's power, spot size and pulse duration may be manipulated to yield different tissue reactions. Five tissue reactions, each the result of varying laser pulse durations and energy densities, may be achieved. They are photochemical, photothermal, photoablation, plasma-induced ablation and photomechanical. Of these, photothermal reactions are most utilized in dermatology. When higher powered pulses are applied, tissue often undergoes multiple reactions simultaneously. An understanding of these reactions allows their effects to be predicted. In this chapter, the various reactions are reviewed, and the reactions caused by many of the most commonly used lasers in dermatology are discussed.

  1. Undesirable nuclear reactions and induced radioactivity as a result of the use of the high-energy therapeutic beams generated by medical linacs.

    PubMed

    Konefal, Adam; Polaczek-Grelik, Kinga; Zipper, Wiktor

    2008-01-01

    In this paper, the problem of undesirable photonuclear, electronuclear and neutron capture reactions taking place in the treatment room during emission of the typical high-energy therapeutic beams from two different medical accelerators, i.e. Primus Siemens and Varian Clinac-2300, is presented. The radioisotopes (187)W, (56)Mn, (28)Al, (57)Ni, (38)Cl, (57)Co and (19)Au and the neutron activation of (1)H were identified as a consequence of these reactions. Moreover, the increased photon fluence rate behind the door of the accelerator bunker in the operator console room was observed during emission of the 20 MV X-rays from the Varian Clinac-2300 as well as in the case of the 15 MV X-ray beam from the Primus Siemens. No increased radiation was observed during the 6 MV X-ray beam emission. The performed measurements produced evidences on the presence of neutrons in the operator console room during emission of the 15 MV X-ray beam from the Primus Siemens as well as the 20 MV X-rays and the 22 MeV electrons from the Varian Clinac-2300 accelerator.

  2. Combustion kinetics and reaction pathways

    SciTech Connect

    Klemm, R.B.; Sutherland, J.W.

    1993-12-01

    This project is focused on the fundamental chemistry of combustion. The overall objectives are to determine rate constants for elementary reactions and to elucidate the pathways of multichannel reactions. A multitechnique approach that features three independent experiments provides unique capabilities in performing reliable kinetic measurements over an exceptionally wide range in temperature, 300 to 2500 K. Recent kinetic work has focused on experimental studies and theoretical calculations of the methane dissociation system (CH{sub 4} + Ar {yields} CH{sub 3} + H + Ar and H + CH{sub 4} {yields} CH{sub 3} + H{sub 2}). Additionally, a discharge flow-photoionization mass spectrometer (DF-PIMS) experiment is used to determine branching fractions for multichannel reactions and to measure ionization thresholds of free radicals. Thus, these photoionization experiments generate data that are relevant to both reaction pathways studies (reaction dynamics) and fundamental thermochemical research. Two distinct advantages of performing PIMS with high intensity, tunable vacuum ultraviolet light at the National Synchrotron Light Source are high detection sensitivity and exceptional selectivity in monitoring radical species.

  3. Dynamical model of surrogate reactions

    SciTech Connect

    Aritomo, Y.; Chiba, S.; Nishio, K.

    2011-08-15

    A new dynamical model is developed to describe the whole process of surrogate reactions: Transfer of several nucleons at an initial stage, thermal equilibration of residues leading to washing out of shell effects, and decay of populated compound nuclei are treated in a unified framework. Multidimensional Langevin equations are employed to describe time evolution of collective coordinates with a time-dependent potential energy surface corresponding to different stages of surrogate reactions. The new model is capable of calculating spin distributions of the compound nuclei, one of the most important quantities in the surrogate technique. Furthermore, various observables of surrogate reactions can be calculated, for example, energy and angular distribution of ejectile and mass distributions of fission fragments. These features are important to assess validity of the proposed model itself, to understand mechanisms of the surrogate reactions, and to determine unknown parameters of the model. It is found that spin distributions of compound nuclei produced in {sup 18}O+{sup 238}U{yields}{sup 16}O+{sup 240}*U and {sup 18}O+{sup 236}U{yields}{sup 16}O+{sup 238}*U reactions are equivalent and much less than 10({h_bar}/2{pi}) and therefore satisfy conditions proposed by Chiba and Iwamoto [Phys. Rev. C 81, 044604 (2010)] if they are used as a pair in the surrogate ratio method.

  4. Increasing crude tall oil yield

    SciTech Connect

    Gupta, J.

    1983-10-01

    In the kraft pulping process for softwoods and hardwood, tall oil recovery is an important part of making profit. During the past 10 years, crude tall oil (CTO) production in the U.S. and Canada has dropped. Estimated CTO yield from fresh Canadian pine is 36-40 lb/a.d. ton and from Southern U.S. 70-80 lb/a.d. ton, while the average yield of CTO is approximately 40% of available tall oil in pine wood. Besides low yield, many pulp mills fail to achieve a CTO quality that lives up to market expectations. The moisture content of CTO is reported to vary widely (1.5-3.5%), whereas it should not exceed 1.5% for marketable quality. The acid number of CTO varies in the range of 135 to 150, whereas industry standards are 145-150. At present the average sale price of CTO is approximately $150/ton. By upgrading existing plants, the yield can be increased, resulting in additional revenues. Thus, if a batch acidulation plant is replaced by a continuous acidulation plant, the yield will increase by approximately 15-50%. The capital required for installing a continuous system is approximately $1.1-1.5 million for a 500-a.d. ton/day pulp mill, requiring a payback period of approximatley 5-7 years. 7 references.

  5. Status of fission yield data

    SciTech Connect

    England, T.R.; Blachot, J.

    1988-01-01

    In this paper we summarize the current status of the recent US evaluation for 34 fissioning nuclides at one or more neutron incident energies and for spontaneous fission. Currently there are 50 yields sets, and for each we have independent and cumulative yields and uncertainties for approximately 1100 fission products. When finalized the recommended data will become part of Version VI of the US ENDF/B. Other major evaluations in progress that are included in a recently formed IAEA Coordinated Research Program are also summarized. In a second part we review two empirical models in use to estimate independent yields. Comparison of model estimates with measured data is presented, including a comparison with some recent data obtained from Lohengrin (Cf-249 T). 18 refs., 13 figs., 3 tabs.

  6. Yield statistics of interpolated superoscillations

    NASA Astrophysics Data System (ADS)

    Katzav, Eytan; Perlsman, Ehud; Schwartz, Moshe

    2017-01-01

    Yield optimized interpolated superoscillations have been recently introduced as a means for possibly making the use of the phenomenon of superoscillation practical. In this paper we study how good is a superoscillation that is not optimal. Namely, by how much is the yield decreased when the signal departs from the optimal one. We consider two situations. One is the case where the signal strictly obeys the interpolation requirement and the other is when that requirement is relaxed. In the latter case the yield can be increased at the expense of deterioration of signal quality. An important conclusion is that optimizing superoscillations may be challenging in terms of the precision needed, however, storing and using them is not at all that sensitive. This is of great importance in any physical system where noise and error are inevitable.

  7. Transition-metal-catalyzed group transfer reactions for selective C-H bond functionalization of artemisinin.

    PubMed

    Liu, Yungen; Xiao, Wenbo; Wong, Man-Kin; Che, Chi-Ming

    2007-10-11

    Three types of novel artemisinin derivatives have been synthesized through transition-metal-catalyzed intramolecular carbenoid and nitrenoid C-H bond insertion reactions. With rhodium complexes as catalysts, lactone 11 was synthesized via carbene insertion reaction at the C16 position in 90% yield; oxazolidinone 13 was synthesized via nitrene insertion reaction at the C10 position in 87% yield based on 77% conversion; and sulfamidate 14 was synthesized via nitrene insertion reaction at the C8 position in 87% yield.

  8. Assessing potential sustainable wood yield

    Treesearch

    Robert F. Powers

    2001-01-01

    Society is making unprecedented demands on world forests to produce and sustain many values. Chief among them is wood supply, and concerns are rising globally about the ability of forests to meet increasing needs. Assessing this is not easy. It requires a basic understanding of the principles governing forest productivity: how wood yield varies with tree and stand...

  9. A new route to improved glucose yields in cellulose hydrolysis

    SciTech Connect

    Zhao, Haibo; Holladay, John E.; Kwak, Ja Hun; Zhang, Z. Conrad

    2007-08-01

    An unusual inverse temperature-dependent pathway was discovered for cellulose decrystallization in trifluoroacetic acid (TFA). Cellulose was completely decrystallized by TFA at 0 °C in less than 2 hours, a result not achieved in 48 hours at 25°C in the same medium. The majority of TFA used in cellulose decrystallization was recycled via a vacuum process. The small remaining amount of TFA was diluted with water to make a 0.5% TFA solution and used as a catalyst in dilute acid hydrolysis. After one minute, under batch conditions at 185 °C, the glucose yield reached 63.5% without production of levulinic acid. In comparison, only 15.0% glucose yield was achieved in the hydrolysis of untreated cellulose by 0.5% H2SO4 under the same condition. Further improvement of glucose yield is possible by optimizing reaction conditions. Alternatively, the remaining TFA can be completely removed by water while keeping the regenerated cellulose in a highly amorphous state. This regenerated cellulose is much more reactive than untreated cellulose in hydrolysis reactions, but still less reactive than corn starch. The lower temperatures and shorter reaction times with this activated cellulose makes it possible to reduce operating costs and decrease byproduct yields such as HMF and levulinic acid.

  10. An Iodine Fluorescence Quenching Clock Reaction

    NASA Astrophysics Data System (ADS)

    Weinberg, Richard B.

    2007-05-01

    A fluorescent clock reaction is described that is based on the principles of the Landolt iodine reaction but uses the potent fluorescence quenching properties of triiodide to abruptly extinguish the ultraviolet fluorescence of optical brighteners present in liquid laundry detergents. The reaction uses easily obtained household products. One variation illustrates the sequential steps and mechanisms of the reaction; other variations maximize the dramatic impact of the demonstration; and a variation that uses liquid detergent in the Briggs Rauscher reaction yields a striking oscillating luminescence. The iodine fluorescence quenching clock reaction can be used in the classroom to explore not only the principles of redox chemistry and reaction kinetics, but also the photophysics of fluorescent pH probes and optical quenching.

  11. NIF Gamma Reaction History

    NASA Astrophysics Data System (ADS)

    Herrmann, H. W.; Kim, Y.; Young, C. S.; Mack, J. M.; McEvoy, A. M.; Hoffman, N. M.; Wilson, D. C.; Langenbrunner, J. R.; Evans, S.; Batha, S. H.; Stoeffl, W.; Lee, A.; Horsfield, C. J.; Rubery, M.; Miller, E. K.; Malone, R. M.; Kaufman, M. I.

    2010-11-01

    The primary objective of the NIF Gamma Reaction History (GRH) diagnostics is to provide bang time and burn width information based upon measurement of fusion gamma-rays. This is accomplished with energy-thresholded Gas Cherenkov detectors that convert MeV gamma-rays into UV/visible photons for high-bandwidth optical detection. In addition, the GRH detectors can perform γ-ray spectroscopy to explore other nuclear processes from which additional significant implosion parameters may be inferred (e.g., plastic ablator areal density). Implementation is occurring in 2 phases: 1) four PMT-based channels mounted to the outside of the NIF target chamber at ˜6 m from TCC (GRH-6m) for the 3e13-3e16 DT neutron yield range expected during the early ignition-tuning campaigns; and 2) several channels located just inside the target bay shield wall at ˜15 m from TCC (GRH-15m) with optical paths leading through the wall into well-shielded streak cameras and PMTs for the 1e16-1e20 yield range expected during the DT ignition campaign. This suite of diagnostics will allow exploration of interesting γ-ray physics well beyond the ignition campaign. Recent data from OMEGA and NIF will be shown.

  12. High yielding synthesis of N-ethyl dehydroamino acids.

    PubMed

    Monteiro, Luís S; Suárez, Ana S

    2012-10-01

    Recently we reported the use of a sequence of alkylation and dehydration methodologies to obtain N-ethyl-α, β-dehydroamino acid derivatives. The application of this N-alkylation procedure to several methyl esters of β,β-dibromo and β-bromo, β-substituted dehydroamino acids protected with standard amine protecting groups was subsequently reported. The corresponding N-ethyl, β-bromo dehydroamino acid derivatives were obtained in fair to high yields and some were used as substrates in Suzuki cross-coupling reactions to give N-ethyl, β,β-disubstituted dehydroalanine derivatives. Herein, we further explore N-ethylation of β-halo dehydroamino acid derivatives using triethyloxonium tetrafluoroborate as alkylating agent, but substituting N,N-diisopropylethylamine for potassium tert-butoxide as auxiliary base. In these conditions, for all β-halo dehydroamino acid derivatives, reactions were complete and the N-ethylated derivative could be isolated in high yield. This method was also applied for N-ethylation of non-halogenated dehydroamino acids. Again, with all compounds the reactions were complete and the N-ethyl dehydroamino acid derivatives could be isolated in high yields. Some of these N-ethyl dehydroamino acid methyl ester derivatives were converted in high yields to their corresponding acids and coupled to an amino acid methyl ester to give N-ethyl dehydrodipeptide derivatives in good yields. Thus, this method constitutes a general procedure for high yielding synthesis of N-ethylated dehydroamino acids, which can be further applied in peptide synthesis.

  13. Evaluation of a cotton stripper yield monitor

    USDA-ARS?s Scientific Manuscript database

    The objective of this work was to evaluate the accuracy of a microwave sensor based yield monitor for measuring yield on a cotton stripper harvester and determine if the yield monitor can discriminate differences in yield to the same level as a reference scale system. A new yield monitor was instal...

  14. Effects of processing conditions on biocrude yields from fast hydrothermal liquefaction of microalgae.

    PubMed

    Faeth, Julia L; Savage, Phillip E

    2016-04-01

    This study investigated the effects of algae species, reaction time, and reactor loading on the biocrude yield from fast hydrothermal liquefaction (HTL) of microalgae. Fast HTL reaction times were always less than 2 min and employed rapid heating and nonisothermal conditions. The highest biocrude yield obtained was 67±5 wt.% (dry basis). With all other process variables fixed, increasing the reaction time in a 600 °C sand bath by 15 s increments led to a rapid increase in biocrude yield between 15 and 45 s. At longer times, the biocrude yield decreased. Low reactor loadings generally gave higher biocrude yields than did higher loadings. The low reactor loadings may facilitate biocrude production by facilitating cell rupture and/or increasing the effective concentration of algal cells in the hot, compressed water in the reactor.

  15. Controlled reforestation can raise yield

    SciTech Connect

    Gammie, J.I.

    1981-04-25

    Reforestation in tropical countries by means of controlled man-made plantations of exotic species could increase the yield of fiber by something in the order of 20 to 30 cubic metres per hectare per annum. With the move away from wood in the solid to reconstituted wood products, this enormous annual increment could have significant effects on supply prospects and reduce the need for tropical forest destruction.

  16. Formation of oligopeptides in high yield under simple programmable conditions

    PubMed Central

    Rodriguez-Garcia, Marc; Surman, Andrew J.; Cooper, Geoffrey J.T.; Suárez-Marina, Irene; Hosni, Zied; Lee, Michael P.; Cronin, Leroy

    2015-01-01

    Many high-yielding reactions for forming peptide bonds have been developed but these are complex, requiring activated amino-acid precursors and heterogeneous supports. Herein we demonstrate the programmable one-pot dehydration–hydration condensation of amino acids forming oligopeptide chains in around 50% yield. A digital recursive reactor system was developed to investigate this process, performing these reactions with control over parameters such as temperature, number of cycles, cycle duration, initial monomer concentration and initial pH. Glycine oligopeptides up to 20 amino acids long were formed with very high monomer-to-oligomer conversion, and the majority of these products comprised three amino acid residues or more. Having established the formation of glycine homo-oligopeptides, we then demonstrated the co-condensation of glycine with eight other amino acids (Ala, Asp, Glu, His, Lys, Pro, Thr and Val), incorporating a range of side-chain functionality. PMID:26442968

  17. Catalysis of Ugi four component coupling reactions by rare earth metal triflates.

    PubMed

    Okandeji, Babajide O; Gordon, Jonathan R; Sello, Jason K

    2008-07-18

    Substoichiometric quantities of scandium and ytterbium triflate increase the yield of Ugi four component coupling reactions of aromatic aldehydes 2- to 7-fold. These rare earth metal triflates enhance the reaction yields primarily via activation of the imine intermediate of this multicomponent reaction.

  18. Reaction rates for mesoscopic reaction-diffusion kinetics

    DOE PAGES

    Hellander, Stefan; Hellander, Andreas; Petzold, Linda

    2015-02-23

    The mesoscopic reaction-diffusion master equation (RDME) is a popular modeling framework frequently applied to stochastic reaction-diffusion kinetics in systems biology. The RDME is derived from assumptions about the underlying physical properties of the system, and it may produce unphysical results for models where those assumptions fail. In that case, other more comprehensive models are better suited, such as hard-sphere Brownian dynamics (BD). Although the RDME is a model in its own right, and not inferred from any specific microscale model, it proves useful to attempt to approximate a microscale model by a specific choice of mesoscopic reaction rates. In thismore » paper we derive mesoscopic scale-dependent reaction rates by matching certain statistics of the RDME solution to statistics of the solution of a widely used microscopic BD model: the Smoluchowski model with a Robin boundary condition at the reaction radius of two molecules. We also establish fundamental limits on the range of mesh resolutions for which this approach yields accurate results and show both theoretically and in numerical examples that as we approach the lower fundamental limit, the mesoscopic dynamics approach the microscopic dynamics. Finally, we show that for mesh sizes below the fundamental lower limit, results are less accurate. Thus, the lower limit determines the mesh size for which we obtain the most accurate results.« less

  19. Reaction rates for mesoscopic reaction-diffusion kinetics

    SciTech Connect

    Hellander, Stefan; Hellander, Andreas; Petzold, Linda

    2015-02-23

    The mesoscopic reaction-diffusion master equation (RDME) is a popular modeling framework frequently applied to stochastic reaction-diffusion kinetics in systems biology. The RDME is derived from assumptions about the underlying physical properties of the system, and it may produce unphysical results for models where those assumptions fail. In that case, other more comprehensive models are better suited, such as hard-sphere Brownian dynamics (BD). Although the RDME is a model in its own right, and not inferred from any specific microscale model, it proves useful to attempt to approximate a microscale model by a specific choice of mesoscopic reaction rates. In this paper we derive mesoscopic scale-dependent reaction rates by matching certain statistics of the RDME solution to statistics of the solution of a widely used microscopic BD model: the Smoluchowski model with a Robin boundary condition at the reaction radius of two molecules. We also establish fundamental limits on the range of mesh resolutions for which this approach yields accurate results and show both theoretically and in numerical examples that as we approach the lower fundamental limit, the mesoscopic dynamics approach the microscopic dynamics. Finally, we show that for mesh sizes below the fundamental lower limit, results are less accurate. Thus, the lower limit determines the mesh size for which we obtain the most accurate results.

  20. Variational transition-state theory with optimized orientation of the dividing surface and semiclassical tunneling calculations for deuterium and muonium kinetic isotope effects in the free radical association reaction H + C{sub 2}H{sub 4} {yields} C{sub 2}H{sub 5}

    SciTech Connect

    Villa, J. ||; Corchado, J.C. |; Gonzalez-Lafont, A.; Lluch, J.M.; Truhlar, D.G.

    1999-07-01

    The authors have used canonical variational transition-state theory with multidimensional tunneling contributions (CVT/MT) to calculate 21 kinetic isotope effects (KIE) for the addition of hydrogen atom to ethylene. The potential energies are obtained by variable scaling of external correlation (VSEC). The reorientation of the dividing surface (RODS) algorithm is employed so that the same reaction path can be used for every isotopic substitution. The results show the importance of the tunneling effect for explaining the trends in the KIEs in this almost barrierless reaction. The authors have predicted the regioselectivity for three different isotopically substituted substrates and have shown how the addition to the most substituted carbon is kinetically favored, especially at low temperature. However, their calculations show no cis/trans selectivity for the isotopically substituted ethylene substrate.

  1. Nuclear Reactions Induced by a Pyroelectric Accelerator

    SciTech Connect

    Geuther, Jeffrey; Danon, Yaron; Saglime, Frank

    2006-02-10

    This work demonstrates the use of pyroelectric crystals to induce nuclear reactions. A system based on a pair of pyroelectric crystals is used to ionize gas and accelerate the ions to energies of up to 200 keV. The system operates above room temperature by simply heating or cooling the pyroelectric crystals. A D-D fusion reaction was achieved with this technique, and 2.5 MeV neutrons were detected. The measured neutron yield is in good agreement with the calculated yield. This work also verifies the results published by Naranjo, Gimzewski, and Putterman [Nature (London) 434, 1115 (2005)].

  2. Raman spectroscopic study of reaction dynamics

    NASA Astrophysics Data System (ADS)

    MacPhail, R. A.

    1990-12-01

    The Raman spectra of reacting molecules in liquids can yield information about various aspects of the reaction dynamics. The author discusses the analysis of Raman spectra for three prototypical unimolecular reactions, the rotational isomerization of n-butane and 1,2-difluoroethane, and the barrierless exchange of axial and equatorial hydrogens in cyclopentane via pseudorotation. In the first two cases the spectra are sensitive to torsional oscillations of the gauche conformer, and yield estimates of the torsional solvent friction. In the case of cyclopentane, the spectra can be used to discriminate between different stochastic models of the pseudorotation dynamics, and to determine the relevant friction coefficients.

  3. Reactions of Metal-Metal Multiple Bonds. 14. Synthesis and Characterization of Triangulo-W3 and Mo2W-oxo Capped Alkoxide Clusters. Comproportionation of M-M Triple Bonds, sigma(2)pi(4) and d(o) Metal-oxo Groups: M Triple Bond M + M Triple Bond O Yields M3(micron 3-O).

    DTIC Science & Technology

    1984-05-02

    INDU/DC/TR-84/1-MC REACTIONS OF METAL-METAL MULTIPLE BONDS. 14. SYNTHESIS AND CHARACTERIZATION OF TRIANGULO -W 3 AND Mo2W-oxo CAPPED ALKOXIDE CLUSTERS...Mtal-Metal Multiple Bonds. 14. Syn- Technical Report 1984 thesis and Characterization of Triangulo -W 3 and 0Mo2W-oxo Capped Alkoxide Clusters...block number) triangulo metal atom clusters, molybdenum, tungsten, alkoxide, oxo, electronic structure, electrochemistry, UV-visible spectroscopy 20

  4. Computed potential energy surfaces for chemical reactions

    NASA Technical Reports Server (NTRS)

    Walch, Stephen P.; Levin, Eugene

    1993-01-01

    A new global potential energy surface (PES) is being generated for O(P-3) + H2 yields OH + H. This surface is being fit using the rotated Morse oscillator method, which was used to fit the previous POL-CI surface. The new surface is expected to be more accurate and also includes a much more complete sampling of bent geometries. A new study has been undertaken of the reaction N + O2 yields NO + O. The new studies have focused on the region of the surface near a possible minimum corresponding to the peroxy form of NOO. A large portion of the PES for this second reaction has been mapped out. Since state to state cross sections for the reaction are important in the chemistry of high temperature air, these studies will probably be extended to permit generation of a new global potential for reaction.

  5. Science Yield Modeling with EXOSIMS

    NASA Astrophysics Data System (ADS)

    Garrett, Daniel; Savransky, Dmitry

    2016-01-01

    Accurately modeling science yield of an exoplanet direct imaging mission to build confidence in the achievement of science goals can be almost as complicated as designing the mission itself. It is challenging to compare science simulation results and systematically test the effects of changing instrument or mission designs. EXOSIMS (Exoplanet Open-Source Imaging Mission Simulator) addresses this by generating ensembles of mission simulations for exoplanet direct imaging missions to estimate distributions of science yield. EXOSIMS consists of stand-alone modules written in Python which may be individually modified without requiring modifications to the code elsewhere. This structure allows for user driven systemic exploration of the effects of changing designs on the estimated science yield.The modules of EXOSIMS are classified as either input or simulation modules. Input modules contain specific mission design parameters and functions. These include Planet Population, Star Catalog, Optical System, Zodiacal Light, Planet Physical Model, Observatory, Time Keeping, and Post-Processing. Simulation modules perform tasks requiring input from one or more input modules as well as calling functions from other simulation modules. These include Completeness, Target List, Simulated Universe, Survey Simulation, and Survey Ensemble. The required parameters and functionality of each of these modules is defined in the documentation for EXOSIMS.EXOSIMS is available to the public at https://github.com/dsavransky/EXOSIMS. Included in the documentation is an interface control document which defines the required inputs and outputs to each input and simulation module. Future development of EXOSIMS is intended to be community-driven. Mission planners and instrument designers may quickly write their own modules, following the guidelines in the interface control document, and drop them directly into the code without making additional modifications elsewhere. It is expected that EXOSIMS

  6. Electron yields from spacecraft materials

    NASA Technical Reports Server (NTRS)

    Yang, K.; Gordon, W. L.; Hoffman, R. W.

    1985-01-01

    Photoyields and secondary electron emission (SEE) characteristics were determined under UHV conditions for a group of insulating materials used in spacecraft applications. The SEE studies were carried out with a pulsed primary beam while photoyields were obtained with a chopped photon beam from a Kr resonance source with major emission at 123.6 nm. This provides a photon flux close to that of the Lyman alpha in the space environment. Yields per incident photon are obtained relative to those from a freshly evaporated and air oxidized Al surface. Results are presented for Kapton, FEP Teflon, the borosilicate glass covering of a shuttle tile, and spacesuit outer fabric.

  7. ReactionPredictor: prediction of complex chemical reactions at the mechanistic level using machine learning.

    PubMed

    Kayala, Matthew A; Baldi, Pierre

    2012-10-22

    Proposing reasonable mechanisms and predicting the course of chemical reactions is important to the practice of organic chemistry. Approaches to reaction prediction have historically used obfuscating representations and manually encoded patterns or rules. Here we present ReactionPredictor, a machine learning approach to reaction prediction that models elementary, mechanistic reactions as interactions between approximate molecular orbitals (MOs). A training data set of productive reactions known to occur at reasonable rates and yields and verified by inclusion in the literature or textbooks is derived from an existing rule-based system and expanded upon with manual curation from graduate level textbooks. Using this training data set of complex polar, hypervalent, radical, and pericyclic reactions, a two-stage machine learning prediction framework is trained and validated. In the first stage, filtering models trained at the level of individual MOs are used to reduce the space of possible reactions to consider. In the second stage, ranking models over the filtered space of possible reactions are used to order the reactions such that the productive reactions are the top ranked. The resulting model, ReactionPredictor, perfectly ranks polar reactions 78.1% of the time and recovers all productive reactions 95.7% of the time when allowing for small numbers of errors. Pericyclic and radical reactions are perfectly ranked 85.8% and 77.0% of the time, respectively, rising to >93% recovery for both reaction types with a small number of allowed errors. Decisions about which of the polar, pericyclic, or radical reaction type ranking models to use can be made with >99% accuracy. Finally, for multistep reaction pathways, we implement the first mechanistic pathway predictor using constrained tree-search to discover a set of reasonable mechanistic steps from given reactants to given products. Webserver implementations of both the single step and pathway versions of Reaction

  8. Rotational dependence of the proton-transfer reaction HBr{sup +}+ CO{sub 2}{yields} HOCO{sup +}+ Br. II. Comparison of HBr{sup +} ({sup 2}{Pi}{sub 3/2}) and HBr{sup +} ({sup 2}{Pi}{sub 1/2})

    SciTech Connect

    Paetow, Lisa; Unger, Franziska; Beutel, Bernd; Weitzel, Karl-Michael

    2010-12-21

    The effects of reactant ion rotational excitation on the exothermic proton-transfer reactions of HBr{sup +}({sup 2}{Pi}{sub 1/2}) and DBr{sup +}({sup 2}{Pi}{sub 1/2}), respectively, with CO{sub 2} were studied in a guided ion beam apparatus. Cross sections are presented for collision energies in the center of mass system E{sub c.m.} in the range of 0.23 to 1.90 eV. The HBr{sup +}/DBr{sup +} ions were prepared in a state-selective manner by resonance enhanced multiphoton ionization. The mean rotational energy was varied from 3.4 to 46.8 meV for HBr{sup +}({sup 2}{Pi}{sub 1/2}) and from 1.8 to 40.9 meV for DBr{sup +}({sup 2}{Pi}{sub 1/2}). Both reactions studied are inhibited by collision energy, as expected for exothermic reactions. For all collision energies considered, the cross section decreases with increasing rotational energy of the ion, but the degree of the rotational dependence differs depending on the collision energy. For E{sub c.m.}= 0.31 eV, the cross sections of the deuteron transfer are significantly larger than those of the proton transfer. For higher E{sub c.m.} they differ very little. The current results for the exothermic proton transfer are systematically compared to previously published data for the endothermic proton transfer starting from HBr{sup +}({sup 2}{Pi}{sub 3/2}) [L. Paetow et al., J. Chem. Phys. 132, 174305 (2010)]. Additional new data regarding the latter reaction are presented to further confirm the conclusions. The dependences on rotational excitation found cannot be explained by the corresponding change in the total energy of the system. For both the endothermic and the exothermic reaction, the cross section is maximized for the smallest rotational energy, at least well above the threshold.

  9. What is a "DNA-Compatible" Reaction?

    PubMed

    Malone, Marie L; Paegel, Brian M

    2016-04-11

    DNA-encoded synthesis can generate vastly diverse screening libraries of arbitrarily complex molecules as long as chemical reaction conditions do not compromise DNA's informational integrity, a fundamental constraint that "DNA-compatible" reaction development does not presently address. We devised DNA-encoded reaction rehearsal, an integrated analysis of reaction yield and impact on DNA, to acquire these key missing data. Magnetic DNA-functionalized sensor beads quantitatively report the % DNA template molecules remaining viable for PCR amplification after exposure to test reaction conditions. Analysis of solid-phase bond forming (e.g., Suzuki-Miyaura cross-coupling, reductive amination) and deprotection reactions (e.g., allyl esters, silyl ethers) guided the definition and optimization of DNA-compatible reaction conditions (>90% yield, >30% viable DNA molecules), most notably in cases that involved known (H(+), Pd) and more obscure (Δ, DMF) hazards to DNA integrity. The data provide an empirical yet mechanistically consistent and predictive framework for designing successful DNA-encoded reaction sequences for combinatorial library synthesis.

  10. Crop diversity for yield increase.

    PubMed

    Li, Chengyun; He, Xiahong; Zhu, Shusheng; Zhou, Huiping; Wang, Yunyue; Li, Yan; Yang, Jing; Fan, Jinxiang; Yang, Jincheng; Wang, Guibin; Long, Yunfu; Xu, Jiayou; Tang, Yongsheng; Zhao, Gaohui; Yang, Jianrong; Liu, Lin; Sun, Yan; Xie, Yong; Wang, Haining; Zhu, Youyong

    2009-11-26

    Traditional farming practices suggest that cultivation of a mixture of crop species in the same field through temporal and spatial management may be advantageous in boosting yields and preventing disease, but evidence from large-scale field testing is limited. Increasing crop diversity through intercropping addresses the problem of increasing land utilization and crop productivity. In collaboration with farmers and extension personnel, we tested intercropping of tobacco, maize, sugarcane, potato, wheat and broad bean--either by relay cropping or by mixing crop species based on differences in their heights, and practiced these patterns on 15,302 hectares in ten counties in Yunnan Province, China. The results of observation plots within these areas showed that some combinations increased crop yields for the same season between 33.2 and 84.7% and reached a land equivalent ratio (LER) of between 1.31 and 1.84. This approach can be easily applied in developing countries, which is crucial in face of dwindling arable land and increasing food demand.

  11. Growth and yield models for central hardwoods

    Treesearch

    Martin E. Dale; Donald E. Hilt

    1989-01-01

    Over the last 20 years computers have become an efficient tool to estimate growth and yield. Computerized yield estimates vary from simple approximation or interpolation of traditional normal yield tables to highly sophisticated programs that simulate the growth and yield of each individual tree.

  12. Sequential reactions directed by core/shell catalytic reactors.

    PubMed

    Wei, Yanhu; Soh, Siowling; Apodaca, Mario M; Kim, Jiwon; Grzybowski, Bartosz A

    2010-04-09

    Millimeter-sized reactor particles made of permeable polymer doped with catalysts arranged in a core/shell fashion direct sequences of chemical reactions (e.g., alkyne coupling followed by hydrogenation or hydrosilylation followed by hydrogenation). Spatial compartmentalization of catalysts coupled with the diffusion of substrates controls reaction order and avoids formation of byproducts. The experimentally observed yields of reaction sequences are reproduced by a theoretical model, which accounts for the reaction kinetics and the diffusion of the species involved.

  13. Measurement of the Helicity Difference in {gamma}{sup {yields}p{yields}{yields}p{pi}+{pi}-} with the CLAS Spectrometer at Jefferson Laboratory

    SciTech Connect

    Park, Sungkyun

    2010-08-05

    The study of the properties of baryon resonances can provide us with hints to help us understand the structure of non-perturbative QCD and the effect of a particular resonance on polarization observables. The investigation of double-pion photoproduction data is needed to discover higher-lying states and their properties at and above W {approx_equal} 1.8 GeV. Therefore, the analysis of the helicity difference in gp {gamma}p{yields}p{pi}{sup +{pi}-} will help us in our understanding of QCD.The CLAS g9a (FROST) experiment, as part of the N* spectroscopy program at Jefferson Laboratory, has accumulated photoproduction data using linearly and circularly polarized photons incident on a longitudinally-polarized butanol target in the photon energy range 0.3 to 2.4 GeV. The FROST experiment provides an important step toward a ''complete'' experiment for the reaction {gamma}N{yields}KY.In this contribution, the method to calculate the helicity difference for the reaction {gamma}p{yields}p{pi}{sup +{pi}-} will be described and preliminary results will be discussed.

  14. High-resolution study of {sup 56}Fe{yields}{sup 56}Mn Gamow-Teller transition by the combined analysis of {sup 56}Fe({sup 3}He, t){sup 56}Co and 56Fe(P, p'){sup 56}Fe reactions

    SciTech Connect

    Nagashimaa, M.; Shimbara, Y.; Fujita, H.; Fujita, Y.; Adachi, T.; Hatanaka, K.; Hirota, K.; Matsubara, H.; Nakanishi, K.; Okamura, H.; Ong, H. J.; Sakemic, Y.; Shimizu, Y.; Suzuki, T.; Tamii, A.; Yosoi, M.; Botha, N. T.; Neveling, R.; Ganioglu, E.; Susoy, G.

    2010-08-12

    The Gamow-Teller (GT) transitions in the {beta}{sup +}(electron capture) direction from the ground state of {sup 56}Fe to the excited states of {sup 56}Mn play an important role in the core collapse of presupernova. Assuming that isospin analogous transitions in isobars have corresponding strengths, we deduced these GT strengths by combining the results of the {sup 56}Fe(p, p'){sup 56}Fe experiment performed at 200 MeV and 0 deg. and the {sup 56}Fe({sup 3}He, t){sup 56}Co experiment in the {beta}{beta} direction at 140 MeV/u and 0 deg. The ground state of {sup 56}Fe has the isospin value of T = 2, while the GT states in {sup 56}Mn have T = 3. In order to identify the analogous T = 2{yields}3, GT transitions in the {sup 56}Fe(p, p'){sup 56}Fe and the {sup 56}Fe({sup 3}He, t){sup 56}Co measurements, we used the fact that the isospin Clebsch-Gordan (CG) coefficients for these T = 2{yields}3 transitions are different in these measurements. Then the GT transition strengths B(GT) in the {beta}{sup +} direction can be deduced from the B(GT) values of the corresponding transitions well determined in the {sup 56}Fe({sup 3}He, t){sup 56}Co measurement assuming the isospin symmetry and correcting the difference of CG coefficients.

  15. Yield calculations for a facility for short-lived nuclear beams

    NASA Astrophysics Data System (ADS)

    Jiang, C. L.; Back, B. B.; Gomes, I.; Heinz, A. M.; Nolen, J.; Rehm, K. E.; Savard, G.; Schiffer, J. P.

    2002-10-01

    Yields for a broad range of radioactive nuclei produced by spallation reactions, neutron-induced fission, in-flight projectile fragmentation and in-flight fission have been calculated for beams of stable nuclei at energies of 100- 1000 MeV/u . Calculations of cross-sections and yields, attenuation effects due to absorption, production from secondary reactions, and transport efficiencies for mass selection are discussed. Rare isotope yields as functions of bombarding energies for both reaccelerated and directly produced fast-fragmentation beams are presented. This information provides a foundation for a cost-effective design of a next generation rare isotope accelerator.

  16. High Yielding Microbubble Production Method

    PubMed Central

    Fiabane, Joe; Prentice, Paul; Pancholi, Ketan

    2016-01-01

    Microfluidic approaches to microbubble production are generally disadvantaged by low yield and high susceptibility to (micro)channel blockages. This paper presents an alternative method of producing microbubbles of 2.6 μm mean diameter at concentrations in excess of 30 × 106 mL−1. In this method, the nitrogen gas flowing inside the liquid jet is disintegrated into spray of microbubble when air surrounding this coflowing nitrogen gas-liquid jet passes through a 100 μm orifice at high velocity. Resulting microbubble foam has the polydispersity index of 16%. Moreover, a ratio of mean microbubble diameter to channel width ratio was found to be less than 0.025, which substantially alleviates the occurrence of blockages during production. PMID:27034935

  17. Synthesis of (1 [yields] 3), (1 [yields] 4)-[beta]-D-glucan in the Golgi apparatus of maize coleoptiles

    SciTech Connect

    Gibeaut, D.M.; Carpita, N.C. )

    1993-05-01

    Membranes of the Golgi apparatus from maize (Zea mays L.) were used to synthesize in vitro the (1 [yields] 3), (1 [yields] 4)-[beta]-D-glucan (MG) that is unique to the cell wall of the Poaceae. The MG was about 250 kDa and was separated from a much larger (1 [yields] 3)-[beta]-D-glucan (callose) by gel-permeation chromatography. Diagnostic oligosaccharides, released by a sequence-dependent endoglucanase from Bacillus subtilis, were separated by HPLC and GLC. The trisaccharide [beta]-D-Glcp-(1 [yields] 4)-[beta]-D-Glcp-(1 [yields] 3)-D-Glc, the tetrasaccharide [[beta]-D-Glcp-(1 [yields] 4)][sub 2]-[beta]-D-Glcp-(1 [yields] 3)-D-Glc, and longer cellodextrin-(1 [yields] 3)-D-Glc oligosaccharides were synthesized in proportions similar to those found in purified MG. Activated charcoal added during homogenization enhanced synthesis of MG, presumably by removing inhibitory compounds. The Golgi apparatus was determined as the site of synthesis by a combination of downward and flotation centrifugations on sucrose step gradients. The rate of synthesis did not reach saturation at up to 10 mM UDP-Glc. Chelators completely abolished synthesis, but synthase activity was restored by addition of either MgCl[sub 2] or, to a lesser extent, MnCl[sub 2]. Synthesis continued for well over 1 h; addition of KOH to raise the pH from 7.2 to 8.0 during the reaction increased the rate of synthesis, which indicates that a transmembrane pH gradient may facilitate synthesis of MG. 36 refs., 4 figs., 2 tabs.

  18. Application of the organic on water reactions to prebiotic chemistry

    NASA Astrophysics Data System (ADS)

    Kolb, Vera M.

    2012-10-01

    The old view that prebiotic reactions in water are hampered by the low solubility of the organic compounds in water is now being revised due to the discoveries of the reactions "on water". These reactions occur in the heterogeneous system comprising of the organic compounds and water. Unexpectedly, such reactions are extremely efficient; they often give quantitative yields, and are accelerated in the presence of water as compared to the organic solvents. These "on water" reactions are not the same as the "in water" reactions, which occur in solution, and are thus homogenous. Examples of the "on water" reactions include Diels-Alder, Claisen, Passerini and Ugi reactions, among many others. Some of these reactions are multicomponent, but give a single product. We survey a selected number of the "on water" reactions, which have a potential prebiotic applications.

  19. Kinugasa reactions in water: from green chemistry to bioorthogonal labelling.

    PubMed

    Chigrinova, Mariya; MacKenzie, Douglas A; Sherratt, Allison R; Cheung, Lawrence L W; Pezacki, John Paul; Pezacki, Paul

    2015-04-16

    The Kinugasa reaction has become an efficient method for the direct synthesis of β-lactams from substituted nitrones and copper(I) acetylides. In recent years, the reaction scope has been expanded to include the use of water as the solvent, and with micelle-promoted [3+2] cycloadditions followed by rearrangement furnishing high yields of β-lactams. The high yields of stable products under aqueous conditions render the modified Kinugasa reaction amenable to metabolic labelling and bioorthogonal applications. Herein, the development of methods for use of the Kinugasa reaction in aqueous media is reviewed, with emphasis on its potential use as a bioorthogonal coupling strategy.

  20. Catalysis of Photochemical Reactions.

    ERIC Educational Resources Information Center

    Albini, A.

    1986-01-01

    Offers a classification system of catalytic effects in photochemical reactions, contrasting characteristic properties of photochemical and thermal reactions. Discusses catalysis and sensitization, examples of catalyzed reactions of excepted states, complexing ground state substrates, and catalysis of primary photoproducts. (JM)

  1. Anaphylaxis-Like Reactions

    MedlinePlus

    ... Home Conditions Anaphylaxis Anaphylaxis-Like Reactions Anaphylaxis-Like Reactions Make an Appointment Refer a Patient Ask a ... exposed to a foreign substance, some people suffer reactions identical to anaphylaxis, but no allergy (IgE antibody) ...

  2. Catalysis of Photochemical Reactions.

    ERIC Educational Resources Information Center

    Albini, A.

    1986-01-01

    Offers a classification system of catalytic effects in photochemical reactions, contrasting characteristic properties of photochemical and thermal reactions. Discusses catalysis and sensitization, examples of catalyzed reactions of excepted states, complexing ground state substrates, and catalysis of primary photoproducts. (JM)

  3. Anaphylaxis-Like Reactions

    MedlinePlus

    ... Home Conditions Anaphylaxis Anaphylaxis-Like Reactions Anaphylaxis-Like Reactions Make an Appointment Refer a Patient Ask a ... exposed to a foreign substance, some people suffer reactions identical to anaphylaxis, but no allergy (IgE antibody) ...

  4. Graphical user interface for yield and dose estimations for cyclotron-produced technetium.

    PubMed

    Hou, X; Vuckovic, M; Buckley, K; Bénard, F; Schaffer, P; Ruth, T; Celler, A

    2014-07-07

    The cyclotron-based (100)Mo(p,2n)(99m)Tc reaction has been proposed as an alternative method for solving the shortage of (99m)Tc. With this production method, however, even if highly enriched molybdenum is used, various radioactive and stable isotopes will be produced simultaneously with (99m)Tc. In order to optimize reaction parameters and estimate potential patient doses from radiotracers labeled with cyclotron produced (99m)Tc, the yields for all reaction products must be estimated. Such calculations, however, are extremely complex and time consuming. Therefore, the objective of this study was to design a graphical user interface (GUI) that would automate these calculations, facilitate analysis of the experimental data, and predict dosimetry. The resulting GUI, named Cyclotron production Yields and Dosimetry (CYD), is based on Matlab®. It has three parts providing (a) reaction yield calculations, (b) predictions of gamma emissions and (c) dosimetry estimations. The paper presents the outline of the GUI, lists the parameters that must be provided by the user, discusses the details of calculations and provides examples of the results. Our initial experience shows that the proposed GUI allows the user to very efficiently calculate the yields of reaction products and analyze gamma spectroscopy data. However, it is expected that the main advantage of this GUI will be at the later clinical stage when entering reaction parameters will allow the user to predict production yields and estimate radiation doses to patients for each particular cyclotron run.

  5. Maximizing Deoxyribonucleic Acid Yield from Dried Blood Spots

    PubMed Central

    Lane, Julie A.; Noble, Janelle A.

    2010-01-01

    Background One source of deoxyribonucleic acid (DNA) for genetic studies is the utilization of dried blood spots stored on paper cards (Guthrie cards) collected shortly after birth. These cards represent an important source of material for epidemiologic and population-based genetic studies. Extraction of DNA from these cards can lead to variable amounts of recovered DNA. We report here results of our efforts to maximize yield from this valuable, but nonrenewable, resource. Method Commercial methods of DNA extraction from blood cards were used, and protocol modifications were introduced that enhanced DNA yield. Results Use of a commercial solvent prior to DNA extraction steps gave greater yields than extraction without the solvent. Modification of the elution step by use of prewarmed extraction buffer and a soaking step at an elevated temperature increased yield by 6- to 10-fold. Conclusions The modified DNA extraction method yielded as much as 660 ng of DNA from a single 5-mm-diameter punch of a blood spot card. The DNA performed well in downstream, polymerase chain reaction-based applications. PMID:20307384

  6. Metabolism and growth yields in Bacteroides ruminicola strain b14.

    PubMed Central

    Howlett, M R; Mountfort, D O; Turner, K W; Roberton, A M

    1976-01-01

    Metabolism of D-glucose by Bacteroides ruminicola subsp. brevis, strain B14, has been examined. Growth yield studies gave molar growth yields, corrected for storage polysaccharide, of approximately 66 g (dry weight)/mol of glucose fermented. The storage polysaccharide amounted to about 14% of the total dry weight, or 55% of the total cellular carbohydrate, at full growth. After correcting glucose utilization for incorporation into cellular carbohydrate, measurement of product formation showed that 1.1 succinate, 0.8 acetate, and 0.35 formate are produced and 0.5 CO2 net is taken up during the fermentation of 1 glucose under the conditions used. The implication of these results with respect to adenosine 5'-triphosphate (ATP) molar growth yield calculations is discussed. If substrate-level phosphorylation reactions alone are responsible for ATP generation, then the ATP molar growth yield must be about 23 g (dry weight)/mol of ATP. Alternatively, if anaerobic electron transfer-linked phosphorylation also occurs, the ATP molar growth yield will be lower. Images PMID:970946

  7. ICF Gamma-Ray Yield Measurements on the NIF

    NASA Astrophysics Data System (ADS)

    Herrmann, H. W.; Kim, Y. H.; Hoffman, N. M.; Stoeffl, W. S.; Watts, P. W.; Carpenter, A. C.; Church, J. A.; Liebman, J.; Grafil, E.

    2011-10-01

    The primary objective of the NIF Gamma Reaction History (GRH) diagnostic is to provide bang time and burn width information in order to constrain implosion simulation parameters such as shell velocity and confinement time. This is accomplished by measuring DT fusion γ-rays with energy-thresholded Gas Cherenkov detectors that convert MeV γ-rays into UV/visible photons for high-bandwidth optical detection. For yield determination, absolute uncertainties associated with the d(t,n) α/d(t,γ)5He branching ratio and detector response are removed by cross-calibrating the GRH signal against independent neutron yield measurements of directly-driven DT exploding pushers with negligible neutron downscatter. The GRH signal can then be used to make Total DTn Yield inferences on indirectly-driven, cryogenically-layered DT implosions which achieve high areal density and hence scatter a significant fraction of DTn out of the 14 MeV primary peak. By comparing the Total DTn Yield from γ-ray measurements with the Primary DTn Yield (13-15 MeV) from neutron measurements, the Total Downscatter Fraction (TDSF) can be inferred. Results of recent measurements will be presented. This work supported by US DOE under contract DE-AC52-06NA25396.

  8. Reaction of disubstituted aromatic compounds with styrene

    SciTech Connect

    Grushin, A.I.; Grigor'ev, V.V.; Prokof'ev, K.V.; Kozlova, N.M.

    1988-03-20

    Hydrocarbons of the 1,1-diphenylethane type were obtained by the reaction of styrene with various disubstituted derivatives of benzene in the presence of titanium tetrachloride. It was found that the yield of the desired compound depends on the strength of the electron-donating substituents and on steric factors in the aromatic ring.

  9. Effects of electron acceptors and radical scavengers on nonchain radical nucleophilic substitution reactions

    SciTech Connect

    Xianman Zhang; Dilun Yang; Youcheng Liu )

    1993-01-01

    The yields of reaction products from thermal nucleophilic substitution reactions in dimethyl sulfoxide (DMSO) of six o- and p-nitrohalobenzenes with the sodium salt of ethyl [alpha]-cyanoacetate carbanion [Na[sup +][sup [minus

  10. Land use and sediment yield

    USGS Publications Warehouse

    Leopold, Luna Bergere; Thomas, William L.

    1956-01-01

    When the vegetal cover is removed from a land surface, the rate of removal of the soil material, at least initially, increases rapidly. So well known is this principle that it hardly needs restatement.If attention is focused on any individual drainage basin in its natural state, large or small, and inquiry is made as to the rate of denudation, a quantitative answer is not easily obtained. The possible error in any computation of rate of sediment production from any given drainage basin is considerable. Significant variations are found in sediment yields from closely adjacent watersheds which appear to be generally similar. To make a quantitative evaluation of the change in the rate of denudation when the natural vegetation is disturbed is, therefore, even more difficult. Considering the fact that "soil conservation" has been promoted to the status of a science, our lack of ability to answer what is apparently so simple a question may seem surprising. Let us look at some of the reasons.

  11. Yield and yield gaps in central U.S. corn production systems

    USDA-ARS?s Scientific Manuscript database

    The magnitude of yield gaps (YG) (potential yield – farmer yield) provides some indication of the prospects for increasing crop yield. Quantile regression analysis was applied to county maize (Zea mays L.) yields (1972 – 2011) from Kentucky, Iowa and Nebraska (irrigated) (total of 115 counties) to e...

  12. Calculation of ion-scattering yields from simulated intermetallic surfaces: Ni-Al(110)

    SciTech Connect

    Shutthanandan, V.; Saleh, A.A. ); Denier van der Gon, A.W. ); Smith, R.J. )

    1993-12-15

    A recently developed formalism for calculating ion-scattering yields from simulated crystal surfaces has been extended to the case of bimetallic surfaces. MeV He[sup +] scattering yields are calculated for thin Ni films reacting with Al(110) surfaces. Interatomic potentials based on the embedded-atom method are used in a Monte Carlo approach to simulate the evolution of the Ni-Al interface as a function of Ni coverage. The calculated ion-scattering yields are in good quantitative agreement with the measured yields, showing two distinct stages of reaction and overlayer growth. Limitations of the simulation and measurement methods are discussed.

  13. Copper-Catalyzed Divergent Addition Reactions of Enoldiazoacetamides with Nitrones.

    PubMed

    Cheng, Qing-Qing; Yedoyan, Julietta; Arman, Hadi; Doyle, Michael P

    2016-01-13

    Catalyst-controlled divergent addition reactions of enoldiazoacetamides with nitrones have been developed. By using copper(I) tetrafluoroborate/bisoxazoline complex as the catalyst, a [3+3]-cycloaddition reaction was achieved with excellent yield and enantioselectivity under exceptionally mild conditions, which represents the first highly enantioselective base-metal-catalyzed vinylcarbene transformation. When the catalyst was changed to copper(I) triflate, Mannich addition products were formed in high yields with near exclusivity under otherwise identical conditions.

  14. Growth of organic microspherules in sugar-ammonia reactions.

    PubMed

    Weber, Arthur L

    2005-12-01

    Reaction of small sugars of less than four carbons with ammonia in water yielded organic microspherules generally less than ten microns in size. The time course of microspherule growth was examined for the D-erythrose-ammonia reaction that yielded microspherules attached to the glass walls of containers. Measurements were made of the elemental composition and infrared spectrum of the microspherule material. These viscose semi-solid microspherules are viewed as possible containers for prebiotic catalytic processes relevant to the origin of life.

  15. Growth of Organic Microspherules in Sugar-Ammonia Reactions

    NASA Astrophysics Data System (ADS)

    Weber, Arthur L.

    2005-12-01

    Reaction of small sugars of less than four carbons with ammonia in water yielded organic microspherules generally less than ten microns in size. The time course of microspherule growth was examined for the D-erythrose-ammonia reaction that yielded microspherules attached to the glass walls of containers. Measurements were made of the elemental composition and infrared spectrum of the microspherule material. These viscose semi-solid microspherules are viewed as possible containers for prebiotic catalytic processes relevant to the origin of life.

  16. Catalytic imine-imine cross-coupling reactions.

    PubMed

    Matsumoto, Masatoshi; Harada, Masashi; Yamashita, Yasuhiro; Kobayashi, Shū

    2014-11-07

    We report here efficient catalytic imine-imine cross-coupling reactions based on an umpolung strategy; an imine bearing a 9-fluorenyl moiety on its nitrogen atom, which acted as a nucleophile, reacted with another imine to afford an imine-imine cross-coupling adduct in high yield. Furthermore, a chiral guanidine acted as a chiral catalyst for these coupling reactions, and optically active 1,2-diamines were obtained in high yields with high enantioselectivities.

  17. Phenomenology of muon-induced neutron yield

    NASA Astrophysics Data System (ADS)

    Malgin, A. S.

    2017-07-01

    The cosmogenic neutron yield Yn characterizes the ability of matter to produce neutrons under the effect of cosmic ray muons with spectrum and average energy corresponding to an observation depth. The yield is the basic characteristic of cosmogenic neutrons. The neutron production rate and neutron flux both are derivatives of the yield. The constancy of the exponents α and β in the known dependencies of the yield on energy Yn∝Eμα and the atomic weight Yn∝Aβ allows one to combine these dependencies in a single formula and to connect the yield with muon energy loss in matter. As a result, the phenomenological formulas for the yields of muon-induced charged pions and neutrons can be obtained. These expressions both are associated with nuclear loss of the ultrarelativistic muons, which provides the main contribution to the total neutron yield. The total yield can be described by a universal formula, which is the best fit of the experimental data.

  18. Chemical pathways in ultracold reactions of SrF molecules

    SciTech Connect

    Meyer, Edmund R.; Bohn, John L.

    2011-03-15

    We present a theoretical investigation of the chemical reaction SrF + SrF {yields} products, focusing on reactions at ultralow temperatures. We find that bond swapping SrF + SrF {yields} Sr{sub 2} + F{sub 2} is energetically forbidden at these temperatures. Rather, the only energetically allowed reaction is SrF + SrF {yields} SrF{sub 2} + Sr, and even then only singlet states of the SrF{sub 2} trimer can form. A calculation along a reduced reaction path demonstrates that this abstraction reaction is barrierless and proceeds by one SrF molecule ''handing off'' a fluorine atom to the other molecule.

  19. The Glyoxal Clock Reaction

    ERIC Educational Resources Information Center

    Ealy, Julie B.; Negron, Alexandra Rodriguez; Stephens, Jessica; Stauffer, Rebecca; Furrow, Stanley D.

    2007-01-01

    Research on the glyoxal clock reaction has led to adaptation of the clock reaction to a general chemistry experiment. This particular reaction is just one of many that used formaldehyde in the past. The kinetics of the glyoxal clock makes the reaction suitable as a general chemistry lab using a Calculator Based Laboratory (CBL) or a LabPro. The…

  20. The Glyoxal Clock Reaction

    ERIC Educational Resources Information Center

    Ealy, Julie B.; Negron, Alexandra Rodriguez; Stephens, Jessica; Stauffer, Rebecca; Furrow, Stanley D.

    2007-01-01

    Research on the glyoxal clock reaction has led to adaptation of the clock reaction to a general chemistry experiment. This particular reaction is just one of many that used formaldehyde in the past. The kinetics of the glyoxal clock makes the reaction suitable as a general chemistry lab using a Calculator Based Laboratory (CBL) or a LabPro. The…