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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. 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.

  3. 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.

  4. 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.

  5. 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.

  6. 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.

  7. 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.

  8. 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.

  9. 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.

  10. 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.

  11. 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.

  12. 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.

  13. 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.

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

    NASA Astrophysics Data System (ADS)

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

    2006-11-01

    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

  15. 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

  16. 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.

  17. 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.

  18. 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

  19. 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.

  20. 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.

  1. 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.

  2. 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.

  3. 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.

  4. 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).

  5. 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.

  6. 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.

  7. 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.

  8. 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.

  9. 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.

  10. 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

  11. 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.

  12. 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.

  13. 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.

  14. 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.

  15. 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.

  16. 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.

  17. 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.

  18. 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.

  19. 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.

  20. 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.

  1. 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

  2. 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.

  3. 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.

  4. 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.

  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. 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.

  7. 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.

  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. 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.

  11. 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.

  12. 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.

  13. 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

  14. 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.

  15. 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 (

  16. 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.

  17. 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

  18. 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.

  19. 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.

  20. 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.

  1. 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.

  2. 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}.

  3. 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.

  4. 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.

  5. 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.

  6. 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.

  7. 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.

  8. 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.

  9. 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...

  10. 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.

  11. 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.

  12. 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.

  13. 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.

  14. 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.

  15. 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.

  16. 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.

  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. 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.

  19. 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.

  20. 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.

  1. 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.

  2. 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.

  3. 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

  4. 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.

  5. 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.

  6. 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.

  7. 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

  8. 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.

  9. 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.

  10. 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.”

  11. 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.

  12. 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.

  13. 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

  14. 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.

  15. 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.

  16. 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.

  17. 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.

  18. 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.

  19. 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.

  20. 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.

  1. 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}.

  2. 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.

  3. 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).

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

    DTIC Science & Technology

    1983-01-01

    bremsstrahlung beams of this study was a Sagittaire/ Therac 40 electron linear accelerator manufactured by CGR-MeV of France belonging to the Radiation...isocenter can be chosen for both the bremsstrahlung and electron beams: .5, 1, 2, 3, 4, and 10 Gy per min. The Sagittaire/ Therac 40 linac is shown...Specifications THERAC 40/Sagittaire Medical Linear Accelerator, No. GS 3100 (1975). 95. Karzmark C.J. and Pering N.C.: Phys. Med. Biol. 18, 321-354 (1973

  5. 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.

  6. 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.

  7. 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.

  8. 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.

  9. 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.

  10. 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.

  11. 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.

  12. 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.

  13. 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.

  14. 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.

  15. 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.

  16. 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%.

  17. 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

  18. 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.

  19. 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.

  20. 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.

  1. 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.

  2. 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.

  3. 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.

  4. 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.

  5. 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.

  6. 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.

  7. 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.

  8. 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.

  9. 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.

  10. 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%.

  11. 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.

  12. 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.

  13. 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.

  14. 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.

  15. 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.

  16. 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.

  17. 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.

  18. 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.

  19. 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.

  20. 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'.

  1. 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.

  2. 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.

  3. 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.

  4. 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).

  5. 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.

  6. 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

  7. 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.

  8. 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.

  9. 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.

  10. 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).

  11. 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.

  12. Predicted neutron yield and radioactivity for laser-induced (p,n) reactions in LiF

    SciTech Connect

    Swift, D C; McNaney, J M

    2009-01-30

    Design calculations are presented for a pulsed neutron source comprising polychromatic protons accelerated from a metal foil by a short-pulse laser, and a LiF converter in which (p,n) reactions occur. Although the proton pulse is directional, neutrons are predicted to be emitted relatively isotropically. The neutron spectrum was predicted to be similar to the proton spectrum, but with more neutrons of low energy in the opposite direction to the incident protons. The angular dependence of spectrum and intensity was predicted. The (p,n) reactions generate unstable nuclei which decay predominantly by positron emission to the original {sup 7}Li and {sup 19}F isotopes. For the initial planned experiments using a converter 1mm thick, we predict that 0.1% of the protons will undergo a (p,n) reaction, producing 10{sup 9} neutrons. Ignoring the unreacted protons, neutrons, and prompt gamma emission as excited nuclear states decay, residual positron radioactivity (and production of pairs of 511 keV annihilation photons) is initially 4.2MBq decaying with a half-life of 17.22 s for 6 mins ({sup 19}Ne decays), then 135Bq decaying with a half-life of 53.22 days ({sup 7}Be decays).

  13. 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.

  14. 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.

  15. 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

  16. 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.

  17. 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.

  18. 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.

  19. 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.

  20. 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.

  1. 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.

  2. 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.

  3. 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

  4. 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.

  5. 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.

  6. 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

  7. 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.

  8. 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.

  9. 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.

  10. 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.

  11. 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.

  12. 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

  13. 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.

  14. 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.

  15. 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.

  16. 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.

  17. 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.

  18. 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.

  19. 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.

  20. 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.

  1. 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.

  2. 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

  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. 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.

  6. 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.

  7. 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.

  8. 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.

  9. 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.

  10. 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.

  11. 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.

  12. 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.

  13. 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)

  14. 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.

  15. 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.

  16. 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.

  17. 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.

  18. 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.

  19. 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.

  20. 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.

  1. 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.

  2. 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.

  3. 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.

  4. 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.

  5. 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.

  6. 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.

  7. 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).

  8. 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.

  9. 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).

  10. 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.

  11. 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.

  12. 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.

  13. 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.

  14. 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.

  15. 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.

  16. 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.

  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. 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.

  19. 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.

  20. 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.

  1. 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.

  2. 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

  3. 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.

  4. 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

  5. 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.

  6. 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.

  7. 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.

  8. 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.

  9. 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.

  10. 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.

  11. Yield Advances in Peanut

    Technology Transfer Automated Retrieval System (TEKTRAN)

    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...

  12. 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.

  13. 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.

  14. 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)

  15. 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.

  16. 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.

  17. 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.

  18. 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.

  19. 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

  20. 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.

  1. 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.

  2. 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.

  3. 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.

  4. 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.

  5. 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.

  6. 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.

  7. 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.

  8. 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…

  9. 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.

  10. 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.

  11. 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.

  12. 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…

  13. Modified triglyceride oil through reactions with phenyltriazolinedione

    Technology Transfer Automated Retrieval System (TEKTRAN)

    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 ...

  14. 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.

  15. 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.

  16. 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.

  17. 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.

  18. 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.

  19. Drug Reactions

    MedlinePlus

    Most of the time, medicines make our lives better. They reduce aches and pains, fight infections, and control problems such as high blood pressure or diabetes. But medicines can also cause unwanted reactions. One problem is ...

  20. 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.

  1. 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.

  2. 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.

  3. Reactive Nanolaminates with Tailored Yield

    DTIC Science & Technology

    2014-07-31

    exothermal reactions and a negative value for endothermic reactions . ! represents the heat change rates by phase transition, in our case, melting...simulates the calorimetric response of a virtual exothermic laminate reaction . In so doing, the models help to understand the mechanisms of transport...calorimeter (DSC). While quantification of calorimeter data is non-trivial, one can assess readily the onset of exothermic reactions . DSC traces for each

  4. 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.

  5. 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.

  6. Allergic Reactions

    MedlinePlus

    ... that is right for you. In many instances, allergy immunotherapy in the form of shots or tablets is an effective, cost-efficient long term treatment approach. While there is not yet ... Healthy Tips • Allergy symptoms are the result of a chain reaction ...

  7. 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

  8. 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.

  9. 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.

  10. 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.

  11. 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.

  12. 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).

  13. 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.

  14. 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).

  15. 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

  16. 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.

  17. 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.

  18. 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.

  19. 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.

  20. 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.

  1. 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.

  2. 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.

  3. 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.

  4. 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.

  5. 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.

  6. 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.

  7. 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.

  8. 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.

  9. 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.

  10. 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.

  11. 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.

  12. 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.

  13. 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.

  14. 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.

  15. 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.

  16. Evaluation of a cotton stripper yield monitor

    Technology Transfer Automated Retrieval System (TEKTRAN)

    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...

  17. 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.

  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. 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.

  1. 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.

  2. 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

  3. 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.

  4. 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

  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. 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.

  7. 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.

  8. 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.

  9. Kinetics, Mechanism and Product Yields in the Atmospheric Oxidation of Dimethylsulfide

    DTIC Science & Technology

    2016-06-14

    Rosenstiel School of Marine and Atmospheric Science University of Miami 4600 Rickenbacker Causeway Miami, Florida 33149-1098 ahynes...decomposition and reaction, b) direct confirmation of production, and quantitative product yields of potential reaction products and intermediates...School of Marine and Atmospheric Science ,4600 Rickenbacker Causeway,Miami,FL,33149 8. PERFORMING ORGANIZATION REPORT NUMBER 9. SPONSORING/MONITORING

  10. 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.

  11. 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.

  12. 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.

  13. 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)

  14. 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) ...

  15. 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.

  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. 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.

  18. 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.

  19. 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

  20. 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.

  1. 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

  2. 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.

  3. 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.

  4. 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.

  5. 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.

  6. Skin reactions to sunscreens.

    PubMed

    Nixon, R L; Frowen, K E; Lewis, A E

    1997-06-01

    Sunscreen reactions are said not to be uncommon. A population referred to a patch testing clinic was evaluated for reactions to sunscreen by questionnaire initially and then, if relevant, by patch testing to sunscreen products and their components. Irritant reactions were more common than allergic contact dermatitis. Allergic reactions to sunscreens were less common than to non-sunscreen chemicals present in sunscreen products.

  7. 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…

  8. Yield and yield gaps in central U.S. corn production systems

    Technology Transfer Automated Retrieval System (TEKTRAN)

    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...

  9. Continuous Consecutive Reactions with Inter‐Reaction Solvent Exchange by Membrane Separation

    PubMed Central

    Peeva, Ludmila; Da Silva Burgal, Joao; Heckenast, Zsofia; Brazy, Florine; Cazenave, Florian

    2016-01-01

    Abstract Pharmaceutical production typically involves multiple reaction steps with separations between successive reactions. Two processes which complicate the transition from batch to continuous operation in multistep synthesis are solvent exchange (especially high‐boiling‐ to low‐boiling‐point solvent), and catalyst separation. Demonstrated here is membrane separation as an enabling platform for undertaking these processes during continuous operation. Two consecutive reactions are performed in different solvents, with catalyst separation and inter‐reaction solvent exchange achieved by continuous flow membrane units. A Heck coupling reaction is performed in N,N‐dimethylformamide (DMF) in a continuous membrane reactor which retains the catalyst. The Heck reaction product undergoes solvent exchange in a counter‐current membrane system where DMF is continuously replaced by ethanol. After exchange the product dissolved in ethanol passes through a column packed with an iron catalyst, and undergoes reduction (>99 % yield). PMID:27669675

  10. Yield model development project implementation plan

    NASA Technical Reports Server (NTRS)

    Ambroziak, R. A.

    1982-01-01

    Tasks remaining to be completed are summarized for the following major project elements: (1) evaluation of crop yield models; (2) crop yield model research and development; (3) data acquisition processing, and storage; (4) related yield research: defining spectral and/or remote sensing data requirements; developing input for driving and testing crop growth/yield models; real time testing of wheat plant process models) and (5) project management and support.

  11. SOME QUESTIONS OF EVALUATION OF YIELD MAPS

    Technology Transfer Automated Retrieval System (TEKTRAN)

    The ultimate goal for the application of yield maps is to provide profitable crop output in farming systems. Recently, several methods and tools have been developed for the evaluation of yield maps. It is based on crisp and fuzzy modeling. However, the process of evaluation of yield maps is full o...

  12. Heterois in Switchgrass: Biomass Yield in Swards

    Technology Transfer Automated Retrieval System (TEKTRAN)

    Improving the biomass yield of switchgrass (Panicum virgatum L.) will improve its utility as a dedicated energy crop by increasing energy yield per acre. In a previous space-transplanted study, mid-parent heterosis for biomass yield was reported for population and specific F1 hybrids of the lowland-...

  13. Reduced yield detonation characteristics in large failure diameter materials

    SciTech Connect

    Lambert, R R; Lee, E L; Maienschein, J L; Merill, C I; Nichols, III; Reaugh, J E

    1998-08-10

    We have made detailed measurements of the approach to steady, self-supported propagating shock waves at greatly reduced yield in composite propellants. Propa- gation velocities are less than one half the theoretical value expected for full reac- tion at the sonic plane. Previous experimental studies 1 have given evidence of similar behavior. Also, previous theoretical work 2 in an analytic form has shown the possibility of reduced yield detonations. We have developed a reaction model coupled with a hydrody- namic code that together provide a description of the coupling of the complex reac- tion behavior with shock propagation and expansion in energetic materials. The model results show clearly that if the dependence of reaction rate on pressure is of sufficiently low order and the mode of consumption is by "grain burning" the calcu- lated detonation behavior closely parallels the observed non-ideal results. We describe the experiments, the reaction model, and compare experimental and calculational results. We also extend the model to predict results in the unexplored regime of very large size charges.

  14. Learning to predict chemical reactions.

    PubMed

    Kayala, Matthew A; Azencott, Chloé-Agathe; Chen, Jonathan H; Baldi, Pierre

    2011-09-26

    Being able to predict the course of arbitrary chemical reactions is essential to the theory and applications of organic chemistry. Approaches to the reaction prediction problems can be organized around three poles corresponding to: (1) physical laws; (2) rule-based expert systems; and (3) inductive machine learning. Previous approaches at these poles, respectively, are not high throughput, are not generalizable or scalable, and lack sufficient data and structure to be implemented. We propose a new approach to reaction prediction utilizing elements from each pole. Using a physically inspired conceptualization, we describe single mechanistic reactions as interactions between coarse approximations of molecular orbitals (MOs) and use topological and physicochemical attributes as descriptors. Using an existing rule-based system (Reaction Explorer), we derive a restricted chemistry data set consisting of 1630 full multistep reactions with 2358 distinct starting materials and intermediates, associated with 2989 productive mechanistic steps and 6.14 million unproductive mechanistic steps. And from machine learning, we pose identifying productive mechanistic steps as a statistical ranking, information retrieval problem: given a set of reactants and a description of conditions, learn a ranking model over potential filled-to-unfilled MO interactions such that the top-ranked mechanistic steps yield the major products. The machine learning implementation follows a two-stage approach, in which we first train atom level reactivity filters to prune 94.00% of nonproductive reactions with a 0.01% error rate. Then, we train an ensemble of ranking models on pairs of interacting MOs to learn a relative productivity function over mechanistic steps in a given system. Without the use of explicit transformation patterns, the ensemble perfectly ranks the productive mechanism at the top 89.05% of the time, rising to 99.86% of the time when the top four are considered. Furthermore, the system

  15. Learning to Predict Chemical Reactions

    PubMed Central

    Kayala, Matthew A.; Azencott, Chloé-Agathe; Chen, Jonathan H.

    2011-01-01

    Being able to predict the course of arbitrary chemical reactions is essential to the theory and applications of organic chemistry. Approaches to the reaction prediction problems can be organized around three poles corresponding to: (1) physical laws; (2) rule-based expert systems; and (3) inductive machine learning. Previous approaches at these poles respectively are not high-throughput, are not generalizable or scalable, or lack sufficient data and structure to be implemented. We propose a new approach to reaction prediction utilizing elements from each pole. Using a physically inspired conceptualization, we describe single mechanistic reactions as interactions between coarse approximations of molecular orbitals (MOs) and use topological and physicochemical attributes as descriptors. Using an existing rule-based system (Reaction Explorer), we derive a restricted chemistry dataset consisting of 1630 full multi-step reactions with 2358 distinct starting materials and intermediates, associated with 2989 productive mechanistic steps and 6.14 million unproductive mechanistic steps. And from machine learning, we pose identifying productive mechanistic steps as a statistical ranking, information retrieval, problem: given a set of reactants and a description of conditions, learn a ranking model over potential filled-to-unfilled MO interactions such that the top ranked mechanistic steps yield the major products. The machine learning implementation follows a two-stage approach, in which we first train atom level reactivity filters to prune 94.00% of non-productive reactions with a 0.01% error rate. Then, we train an ensemble of ranking models on pairs of interacting MOs to learn a relative productivity function over mechanistic steps in a given system. Without the use of explicit transformation patterns, the ensemble perfectly ranks the productive mechanism at the top 89.05% of the time, rising to 99.86% of the time when the top four are considered. Furthermore, the system

  16. Synthesis of Antitumor Lycorines by Intramolecular Diels-Alder Reaction.

    PubMed

    Pérez, Dolores; Burés, Gema; Guitián, Enrique; Castedo, Luis

    1996-03-08

    Pharmacologically interesting lycorines were obtained by a short, efficient method based on an intramolecular Diels-Alder reaction between an alpha-pyrone and an alkyne, followed by loss of CO(2) in a retro Diels-Alder reaction. The cyclization precursors (pyrones 9) were obtained in good yields in two or three steps from the corresponding homophthalic acid or anhydride.

  17. Linking Drought Information to Crop Yield

    NASA Astrophysics Data System (ADS)

    Madadgar, S.; Farahmand, A.; Li, L.; Aghakouchak, A.

    2015-12-01

    Droughts have detrimental impacts on agricultural yields all over the world every year. This study analyzes the relationship between three drought indicators including Standardized Precipitation Index (SPI); Standardized Soil Moisture Index (SSI), Multivariate Standardized Drought Index (MSDI) and the yields of five largest rain-fed crops in Australia (wheat, broad beans, canola, lupins and barley). Variation of the five chosen crop yields is overall in agreement with the three drought indicators SPI, SSI, and MSDI during the analysis period of 1980-2012. This study develops a bivariate copula model to investigate the statistical dependence of drought and crop yield. Copula functions are used to establish the existing connections between climate variables and crop yields during the Millennium drought in Australia. The proposed model estimates the likelihood of crop yields given the observed or predicted drought indicators SPI, SSI or MSDI. The results are also useful to estimate crop yields associated with different thresholds of precipitation or soil moisture.

  18. N-Hydroxyimide Ugi Reaction toward α-Hydrazino Amides

    PubMed Central

    2017-01-01

    The Ugi four-component reaction (U-4CR) with N-hydroxyimides as a novel carboxylic acid isostere has been reported. This reaction provides straightforward access to α-hydrazino amides. A broad range of aldehydes, amines, isocyanides and N-hydroxyimides were employed to give products in moderate to high yields. This reaction displays N–N bond formation by cyclic imide migration in the Ugi reaction. Thus, N-hydroxyimide is added as a new acid component in the Ugi reaction and broadens the scaffold diversity. PMID:28220702

  19. Production of medical radioisotopes with linear accelerators.

    PubMed

    Starovoitova, Valeriia N; Tchelidze, Lali; Wells, Douglas P

    2014-02-01

    In this study, we discuss producing radioisotopes using linear electron accelerators and address production and separation issues of photoneutron (γ,n) and photoproton (γ,p) reactions. While (γ,n) reactions typically result in greater yields, separating product nuclides from the target is challenging since the chemical properties of both are the same. Yields of (γ,p) reactions are typically lower than (γ,n) ones, however they have the advantage that target and product nuclides belong to different chemical species so their separation is often not such an intricate problem. In this paper we consider two examples, (100)Mo(γ,n)(99)Mo and (68)Zn(γ,p)(67)Cu, of photonuclear reactions. Monte-Carlo simulations of the yields are benchmarked with experimental data obtained at the Idaho Accelerator Center using a 44MeV linear electron accelerator. We propose using a kinematic recoil method for photoneutron production. This technique requires (100)Mo target material to be in the form of nanoparticles coated with a catcher material. During irradiation, (99)Mo atoms recoil and get trapped in the coating layer. After irradiation, the coating is dissolved and (99)Mo is collected. At the same time, (100)Mo nanoparticles can be reused. For the photoproduction method, (67)Cu can be separated from the target nuclides, (68)Zn, using standard exchange chromatography methods. Monte-Carlo simulations were performed and the (99)Mo activity was predicted to be about 7MBq/(g(⁎)kW(⁎)h) while (67)Cu activity was predicted to be about 1MBq/(g(⁎)kW(⁎)h). Experimental data confirm the predicted activity for both cases which proves that photonuclear reactions can be used to produce radioisotopes. Lists of medical isotopes which might be obtained using photonuclear reactions have been compiled and are included as well.

  20. Thermodynamic analysis of certain promising chemical reactions for heat storage in solar electric power plants

    NASA Astrophysics Data System (ADS)

    Akhmedov, R. B.; Pozharnov, V. A.; Chakhovskii, V. M.; Kolesov, V. P.; Zhogin, D. Iu.

    Attention is given to the following reversible reactions: (1) CaCO3 yields CaO + CO2; (2) Ca(OH)2 yields CaO + H2O; (3) Sr(OH)2 yields SrO + H2O; (4) CH4 + CO2 yields 2CO + 2H2; and (5) CH4 + H2O yields CO + 3H2. The dependence of isobaric-isothermal potential on temperature is examined along with the thermochemical characteristics.

  1. A Covariance Generation Methodology for Fission Product Yields

    NASA Astrophysics Data System (ADS)

    Terranova, N.; Serot, O.; Archier, P.; Vallet, V.; De Saint Jean, C.; Sumini, M.

    2016-03-01

    Recent safety and economical concerns for modern nuclear reactor applications have fed an outstanding interest in basic nuclear data evaluation improvement and completion. It has been immediately clear that the accuracy of our predictive simulation models was strongly affected by our knowledge on input data. Therefore strong efforts have been made to improve nuclear data and to generate complete and reliable uncertainty information able to yield proper uncertainty propagation on integral reactor parameters. Since in modern nuclear data banks (such as JEFF-3.1.1 and ENDF/BVII.1) no correlations for fission yields are given, in the present work we propose a covariance generation methodology for fission product yields. The main goal is to reproduce the existing European library and to add covariance information to allow proper uncertainty propagation in depletion and decay heat calculations. To do so, we adopted the Generalized Least Square Method (GLSM) implemented in CONRAD (COde for Nuclear Reaction Analysis and Data assimilation), developed at CEA-Cadarache. Theoretical values employed in the Bayesian parameter adjustment are delivered thanks to a convolution of different models, representing several quantities in fission yield calculations: the Brosa fission modes for pre-neutron mass distribution, a simplified Gaussian model for prompt neutron emission probability, theWahl systematics for charge distribution and the Madland-England model for the isomeric ratio. Some results will be presented for the thermal fission of U-235, Pu-239 and Pu-241.

  2. A high yield neutron target for cancer therapy

    NASA Technical Reports Server (NTRS)

    Alger, D. L.; Steinberg, R.

    1972-01-01

    A rotating target was developed that has the potential for providing an initial yield of 10 to the 13th power neutrons per second by the T(d,n)He-4 reaction, and a useable lifetime in excess of 600 hours. This yield and lifetime are indicated for a 300 Kv and 30 mA deuteron accelerator and a 30 microns thick titanium tritide film formed of the stoichiometric compound TiT2. The potential for extended lifetime is made possible by incorporating a sputtering electrode that permits use of titanium tritide thicknesses much greater than the deuteron range. The electrode is used to remove in situ depleted titanium layers to expose fresh tritide beneath. The utilization of the rotating target as a source of fast neutrons for cancer therapy is discussed.

  3. The Control of Isomer Distributions in Nitration Reactions.

    DTIC Science & Technology

    1980-06-10

    Norman, Parr, and Thomas reported that the reaction could be more effectively accomplished with nitrogen dioxide in chloroacetic acid . New work in this...numerous by-products are formed. In addition, while the reaction with nitrogen dioxide in chloroacetic acid is cata- lytic, the yield of product does...reaction. We determined the partial rate factors for the thallation of toluene in trifluoroacetic acid 3 (Kwok, Stock, and Wright, 1979). The results

  4. HIGH TEMPERATURE POLYMERS FROM 1,3-DIPOLAR ADDITION REACTIONS.

    DTIC Science & Technology

    indazole with nitrobenzene as the reaction solvent has...phenylhydrazide chloride has been prepared. The reaction of this compound with ethynyl benzene in the presence of triethylamine yields 1,1’,5,5’- tetraphenyl-3,3...corresponding heterocycles. The polymerization reaction of 4,4’ oxydi benzoylphenyl- hydrazide chloride with p-diethynyl benzene afforded poly (1,1’,5,5’-tetraphenyl-3,3’- (oxydi-p-phenylene) -dipyrazole).

  5. High temperature chemical kinetic study of the H2-CO-CO2-NO reaction system

    NASA Technical Reports Server (NTRS)

    Jachimowski, C. J.

    1975-01-01

    An experimental study of the kinetics of the H2-CO-CO2-NO reaction system was made behind incident shock waves at temperatures of 2460 and 2950 K. The overall rate of the reaction was measured by monitoring radiation from the CO + O yields CO2 + h upoilon reaction. Correlation of these data with a detailed reaction mechanism showed that the high-temperature rate of the reaction N + OH yields NO + H can be described by the low-temperature (320 K) rate coefficient. Catalytic dissociation of molecular hydrogen was an important reaction under the tests conditions.

  6. A characterization of the two-step reaction mechanism of phenol decomposition by a Fenton reaction

    NASA Astrophysics Data System (ADS)

    Valdés, Cristian; Alzate-Morales, Jans; Osorio, Edison; Villaseñor, Jorge; Navarro-Retamal, Carlos

    2015-11-01

    Phenol is one of the worst contaminants at date, and its degradation has been a crucial task over years. Here, the decomposition process of phenol, in a Fenton reaction, is described. Using scavengers, it was observed that decomposition of phenol was mainly influenced by production of hydroxyl radicals. Experimental and theoretical activation energies (Ea) for phenol oxidation intermediates were calculated. According to these Ea, phenol decomposition is a two-step reaction mechanism mediated predominantly by hydroxyl radicals, producing a decomposition yield order given as hydroquinone > catechol > resorcinol. Furthermore, traces of reaction derived acids were detected by HPLC and GS-MS.

  7. Reaction Selectivity in Heterogeneous Catalysis

    SciTech Connect

    Somorjai, Gabor A.; Kliewer, Christopher J.

    2009-02-02

    The understanding of selectivity in heterogeneous catalysis is of paramount importance to our society today. In this review we outline the current state of the art in research on selectivity in heterogeneous catalysis. Current in-situ surface science techniques have revealed several important features of catalytic selectivity. Sum frequency generation vibrational spectroscopy has shown us the importance of understanding the reaction intermediates and mechanism of a heterogeneous reaction, and can readily yield information as to the effect of temperature, pressure, catalyst geometry, surface promoters, and catalyst composition on the reaction mechanism. DFT calculations are quickly approaching the ability to assist in the interpretation of observed surface spectra, thereby making surface spectroscopy an even more powerful tool. HP-STM has revealed three vitally important parameters in heterogeneous selectivity: adsorbate mobility, catalyst mobility, and selective site-blocking. The development of size controlled nanoparticles from 0.8 to 10 nm, of controlled shape, and of controlled bimetallic composition has revealed several important variables for catalytic selectivity. Lastly, DFT calculations may be paving the way to guiding the composition choice for multi-metallic heterogeneous catalysis for the intelligent design of catalysts incorporating the many factors of selectivity we have learned.

  8. Microscale Thermite Reactions.

    ERIC Educational Resources Information Center

    Arnaiz, Francisco J.; Aguado, Rafael; Arnaiz, Susana

    1998-01-01

    Describes the adaptation of thermite (aluminum with metal oxides) reactions from whole-class demonstrations to student-run micro-reactions. Lists detailed directions and possible variations of the experiment. (WRM)

  9. Microfluidic chemical reaction circuits

    SciTech Connect

    Lee, Chung-cheng; Sui, Guodong; Elizarov, Arkadij; Kolb, Hartmuth C; Huang, Jiang; Heath, James R; Phelps, Michael E; Quake, Stephen R; Tseng, Hsian-rong; Wyatt, Paul; Daridon, Antoine

    2012-06-26

    New microfluidic devices, useful for carrying out chemical reactions, are provided. The devices are adapted for on-chip solvent exchange, chemical processes requiring multiple chemical reactions, and rapid concentration of reagents.

  10. Allergic reactions (image)

    MedlinePlus

    Allergic reaction is a sensitivity to a specific substance, called an allergen, that is contacted through the skin, inhaled into the lungs, swallowed or injected. The body's reaction to an allergen can be mild, such as ...

  11. Allergic reactions (image)

    MedlinePlus

    Allergic reaction can be provoked by skin contact with poison plants, chemicals and animal scratches, as well as by ... dust, nuts and shellfish, may also cause allergic reaction. Medications such as penicillin and other antibiotics are ...

  12. Positive roles of compartmentalization in internal reactions.

    PubMed

    Ichihashi, Norikazu; Yomo, Tetsuya

    2014-10-01

    Recently, many researchers have attempted to construct artificial cell models using a bottom-up approach in which various biochemical reactions that involve a defined set of molecules are reconstructed in cell-like compartments, such as liposomes and water-in-oil droplets. In many of these studies, the cell-like compartments have acted only as containers for the encapsulated biochemical reactions, whereas other studies have indicated that compartmentalization improves the rates and yields of these reactions. Here, we introduce two ways in which compartmentalization can improve internal reactions: the isolation effect and the condensation effect. These positive effects of compartmentalization might have played an important role in the genesis of the first primitive cell on early Earth.

  13. Di-lepton yield from the decay of excited 28Si states

    NASA Astrophysics Data System (ADS)

    Bacelar, J. C.; Buda, A.; Bałanda, A.; Krasznahorkay, A.; van der Ploeg, H.; Sujkowski, Z.; van der Woude, A.

    1994-03-01

    The first dilepton yield measurements from excited nuclear states obtained with a new Positron-Electron Pair Spectroscopic Instrument (PEPSI) are reported. Nuclear states in 28Si, with an initial excitation energy E∗ = 50 MeV, were populated via the isospin T = 0 reaction 4He + 24Mg and the mixed-isospin 3He + 25Mg reaction. In both reactions the dilepton (e +e -) and photon decay yields were measured concurrently. An excess of counts in the e +e - spectrum, over the converted photon yield, is observed in the energy region above 15 MeV. An analyses is discussed whereby the observed excess counts are assumed to represent the isoscalar E0 strength in excited nuclear states.

  14. Study of photonuclear muon interactions at Baksan underground scintillation telescope

    NASA Technical Reports Server (NTRS)

    Bakatanov, V. N.; Chudakov, A. E.; Dadykin, V. L.; Novoseltsev, Y. F.; Achkasov, V. M.; Semenov, A. M.; Stenkin, Y. V.

    1985-01-01

    The method of pion-muon-electron decays recording was used to distinguish between purely electron-photon and hadronic cascades, induced by high energy muons underground. At energy approx. 1 Tev a ratio of the number of hadronic to electromagnetic cascades was found equal 0.11 + or - .03 in agreement with expectation. But, at an energy approx. 4 Tev a sharp increase of this ratio was indicated though not statistically sound (0.52 + or - .13).

  15. Applications of Photonuclear Physics for International Safeguards and Security

    SciTech Connect

    Johnson, M S; Hall, J M; McNabb, D P; McFarland, J; Norman, E; Bertozzi, W; Korbly, S; Ledoux, R; Park, W

    2010-04-16

    Studies of nuclear resonance fluorescence based applications are presented. Important for these applications are data for isotopes such as {sup 239}Pu. Nuclear resonance fluorescence measurements of {sup 239}Pu were performed at the free electron laser facility at UC Santa Barbara using photons from a bremsstrahlung beam with an endpoint energies between 4.0 MeV and 5.5 MeV. Though no discrete states with significant confidence level were measured, we have excluded the region above 27(3) eV-barns, or 4-sigma, where we would expect only a small chance of false positives. Details of the measurements and the results are presented here.

  16. Giant dipole resonance parameters with uncertainties from photonuclear cross sections

    NASA Astrophysics Data System (ADS)

    Plujko, V. A.; Capote, R.; Gorbachenko, O. M.

    2011-09-01

    Updated values and corresponding uncertainties of isovector giant dipole resonance (IVGDR or GDR) model parameters are presented that are obtained by the least-squares fitting of theoretical photoabsorption cross sections to experimental data. The theoretical photoabsorption cross section is taken as a sum of the components corresponding to excitation of the GDR and quasideuteron contribution to the experimental photoabsorption cross section. The present compilation covers experimental data as of January 2010.

  17. Time-delayed reaction-diffusion fronts

    NASA Astrophysics Data System (ADS)

    Isern, Neus; Fort, Joaquim

    2009-11-01

    A time-delayed second-order approximation for the front speed in reaction-dispersion systems was obtained by Fort and Méndez [Phys. Rev. Lett. 82, 867 (1999)]. Here we show that taking proper care of the effect of the time delay on the reactive process yields a different evolution equation and, therefore, an alternate equation for the front speed. We apply the new equation to the Neolithic transition. For this application the new equation yields speeds about 10% slower than the previous one.

  18. Yields of bedrock wells in Massachusetts

    USGS Publications Warehouse

    Hansen, B.P.; Simcox, A.C.

    1994-01-01

    Six to seven percent of the population of Massachusetts obtains its water from domestic bedrock wells. Additional public, commercial, industrial, and domestic supplies from bedrock will be needed in the future. Information about the factors that are related to large well yields is needed. The factors associated with well yields were identified by use of statistical analysis of reported data from 4,218 bedrock wells. The median reported yield of all bedrock wells was 7 gallons per minute, and the median depth was 170 feet. Wells in valleys and lowlands had the largest median yield--I0 gallons per minute. The median well yield on hilltops and slopes was 6 gallons per minute. In valleys and lowlands, significant increases in well yields corresponded to increasing thickness of overburden. On hilltops and slopes, only small increases in well yield corresponded to increases in overburden thickness. Increases in well diameter corresponded to significant increases in well yields for all well locations, depths, and use categories. The common assumptions that fractured crystalline rocks generally yield only small quantities of water to wells and that the fractures that yield water to wells pinch out or are closed because of lithostatic pressure at depths greater than 300 to 400 feet may be in error. Analysis of well data indicates that the median yield of all bedrock wells decreased as well depth increased to 400 feet and increased slightly with well depths greater than 600 feet. The median yield of bedrock wells located in valleys and lowlands reached 50 gallons per minute at depths of 600 to 700 feet. The median yield of wells located on hilltops and slopes reached 15 gallons per minute at depths of 600 to 700 feet. Carbonate bedrock, with a median well yield of 25 gallons per minute, seemed to be the most productive bedrock type. A reported yield of 1,700 gallons per minute from an industrial well completed in carbonate bedrock is the largest reported yield from a bedrock

  19. Uncertainty analysis for water supply reservoir yields

    NASA Astrophysics Data System (ADS)

    Kuria, Faith; Vogel, Richard

    2015-10-01

    Understanding the variability of water supply reservoir yields is central for planning purposes. The basis of this study is an empirical global relationship between reservoir storage capacity, water supply yield and reliability based on a global database of 729 rivers. Monte Carlo simulations reveal that the coefficient of variation of estimates of water supply reservoir yields depend only on the length of streamflows record and the coefficient of variation of the streamflows used to estimate the yield. We compare the results of those Monte Carlo experiments with an analytical uncertainty method First Order Variance Approximation (FOVA). FOVA is shown to produce a general, accurate and useful expression for estimating the coefficient of variation of water supply reservoir yield estimates. We also document how the FOVA analytical model can be used to determine the minimum length of streamflow record required during the design of water supply reservoirs so as to ensure that the yield delivered from reservoir falls within a prespecified margin of error.

  20. Seismological Discrimination and Yield Determination Research

    DTIC Science & Technology

    1980-02-01

    yield for NTS granodiorite . . . 31 iii 9 . . LIST OF ILLUSTRATIONS (continued) Figure Page 18. mb versus yield for NTS granodiorite . . . 32 19...depth of burial on surface wave and body wave magnitudes. The rock environ- ment was NTS fractured granodiorite . Near field data from the PILEDRIVER...Figure 17. M s versus yield for NTS granodiorite . 𔃺 31 SYSTEMS. SCIENCE AND SOFTWARE 0 c 3: C Cc -M4 co Z=_ CU .,., 32 SvSTEM S SCIE’NCE AND

  1. Comparative yield estimation via shock hydrodynamic methods

    SciTech Connect

    Attia, A.V.; Moran, B.; Glenn, L.A.

    1991-06-01

    Shock TOA (CORRTEX) from recent underground nuclear explosions in saturated tuff were used to estimate yield via the simulated explosion-scaling method. The sensitivity of the derived yield to uncertainties in the measured shock Hugoniot, release adiabats, and gas porosity is the main focus of this paper. In this method for determining yield, we assume a point-source explosion in an infinite homogeneous material. The rock is formulated using laboratory experiments on core samples, taken prior to the explosion. Results show that increasing gas porosity from 0% to 2% causes a 15% increase in yield per ms/kt{sup 1/3}. 6 refs., 4 figs.

  2. Wheat yield forecasts using LANDSAT data

    NASA Technical Reports Server (NTRS)

    Colwell, J. E.; Rice, D. P.; Nalepka, R. F.

    1977-01-01

    Several considerations of winter wheat yield prediction using LANDSAT data were discussed. In addition, a simple technique which permits direct early season forecasts of wheat production was described.

  3. Crop status evaluations and yield predictions

    NASA Technical Reports Server (NTRS)

    Haun, J. R.

    1976-01-01

    One phase of the large area crop inventory project is presented. Wheat yield models based on the input of environmental variables potentially obtainable through the use of space remote sensing were developed and demonstrated. By the use of a unique method for visually qualifying daily plant development and subsequent multifactor computer analyses, it was possible to develop practical models for predicting crop development and yield. Development of wheat yield prediction models was based on the discovery that morphological changes in plants are detected and quantified on a daily basis, and that this change during a portion of the season was proportional to yield.

  4. The yield of N/2D/ atoms in the dissociative recombination of NO/+/

    NASA Technical Reports Server (NTRS)

    Kley, D.; Lawrence, G. M.; Stone, E. J.

    1977-01-01

    The quantum yield or branching ratio of N(2D) atoms formed in the reaction e + NO(+) yields N + O was measured to be 76% plus or minus 6%. Photoionization of buffered nitric oxide by a flash lamp was studied using time-resolved atomic absorption. Atoms were produced both by direct photodissociation and by dissociative recombination, and these two effects were separated by means of SF6 as an electron scavenger.

  5. A high-yielding synthesis of allyl glycosides from peracetylated glycosyl donors.

    PubMed

    Khamsi, Jamal; Ashmus, Roger A; Schocker, Nathaniel S; Michael, Katja

    2012-08-01

    β-Configured peracetylated sugars are often used as easily accessible glycosyl donors that are typically activated with common Lewis acids such as boron trifluoride or trimethylsilyltrifluoromethane sulfonate. Often these glycosylations occur with unsatisfactory yields due to incomplete reactions or extensive byproduct formation, primarily as a result of loss of an additional acetyl group generating partially unprotected glycosides. Here we report a simple glycosylation-reacetylation protocol for the generation of predominantly β-configured peracetylated allyl glucoside, -galactoside, -lactoside, and -maltoside with substantially improved reaction yields.

  6. High-yield hydrogen production by catalytic gasification of coal or biomass

    SciTech Connect

    Hauserman, W.B.

    1992-01-01

    Gasification of coal or wood, catalyzed by soluble metallic cations to maximize reaction rates and hydrogen yields, offers a potential for large-scale, economical hydrogen production with near-commercial technology. With optimum reaction conditions and catalysts, product gas rich in both hydrogen and methane can be used in fuel cells to produce electricity at efficiencies nearly double those of conventional power plant. If plantation silvaculture techniques can produce wood at a raw energy cost competitive with coal, further enhancement of product gas yields may be possible, with zero net contribution of CO{sub 2} to the atmosphere.

  7. Soot Reaction Properties (Ground-Based Study)

    NASA Technical Reports Server (NTRS)

    Dai, Z.; El-Leathy, A. M.; Lin, K.-C.; Sunderland, P. B.; Xu, F.; Faeth, G. M.; Urban, D. L. (Technical Monitor); Yuan, Z.-G. (Technical Monitor)

    2000-01-01

    Three major soot reaction processes are needed to predict soot properties in flame environments: soot growth, or the formation of soot on soot nuclei and soot particles; soot oxidation, or the reaction of soot with oxidizing species to yield the combustion products of soot oxidation; and soot nucleation, or the formation of soot nuclei from soot precursors having large molecular weights (generally thought to be large and particularly stable PAH molecules in flame environments, called stabilomers). These processes are addressed in the following, considering soot growth, oxidation and nucleation, in turn, by exploiting the soot and flame structure results for premixed and diffusion flames already discussed in Section 2.

  8. Reactions and structure of exotic nuclei

    SciTech Connect

    Esbensen, H.

    1993-08-01

    Radioactive beam experiments have made it possible to study the structure of light neutron rich nuclei. A characteristic feature is a large dipole strength near threshold. An excellent example is the loosely bound nucleus ``Li for which Coulomb dissociation plays a dominant role in breakup reactions on a high Z target. I will describe a three-body model and apply it to calculate the dipole response of {sup 11}Li and the momentum distributions for the three-body breakup reaction: {sup 11}Li {yields} {sup 9}Li+n+n, and comparisons will be made to recent three-body coincidence measurements.

  9. Reaction Path Bifurcation in an Electrocyclic Reaction: Ring-Opening of the Cyclopropyl Radical.

    PubMed

    Kramer, Zeb C; Carpenter, Barry K; Ezra, Gregory S; Wiggins, Stephen

    2015-06-25

    Following previous work [J. Chem. Phys. 2013, 139, 154108] on a simple model of a reaction with a post-transition state valley ridge inflection point, we study the chemically important example of the electrocyclic cyclopropyl radical ring-opening reaction using direct dynamics and a reduced dimensional potential energy surface. The overall reaction requires con- or disrotation of the methylenes, but the initial stage of the ring-opening involves substantial internal rotation of only one methylene. The reaction path bifurcation is then associated with the relative sense of rotation of the second methylene. Clear deviations of reactive trajectories from the disrotatory intrinsic reaction coordinate (IRC) for the ring-opening are observed and the dynamical mechanism is discussed. Several features observed in the model system are found to be preserved in the more complex and higher dimensional ring-opening reaction. Most notable is the sensitivity of the reaction mechanism to the shape of the potential manifested as a Newtonian kinetic isotope effect upon deuterium substitution of one of the methylene hydrogens. Dependence of the product yield on frictional dissipation representing external environmental effects is also presented. The dynamics of the post-transition state cyclopropyl radical ring-opening are discussed in detail, and the use of low dimensional models as tools to analyze complicated organic reaction mechanisms is assessed in the context of this reaction.

  10. Mass production of multi-wall carbon nanotubes by metal dusting process with high yield

    SciTech Connect

    Ghorbani, H.; Rashidi, A.M.; Rastegari, S.; Mirdamadi, S.; Alaei, M.

    2011-05-15

    Research highlights: {yields} Synthesis of carbon nanotubes over Fe-Ni nanoparticles supported alloy 304L. {yields} Production of carbon nanotubes with high yield (700-1000%) and low cost catalyst. {yields} Optimum growth condition is CO/H{sub 2} = 1/1, 100 cm{sup 3}/min, at 620 {sup o}C under long term repetitive thermal cycling. {yields} Possibility of the mass production by metal dusting process with low cost. -- Abstract: Carbon nanotube materials were synthesized over Fe-Ni nanoparticles generated during disintegration of the surface of alloy 304L under metal dusting environment. The metal dusting condition was simulated and optimized through exposing stainless steel samples during long term repetitive thermal cycling in CO/H{sub 2} = 1/1, total gas flow rate 100 cm{sup 3}/min, at 620 {sup o}C for 300 h. After reaction, surface morphology of the samples and also carbonaceous deposition which had grown on sample surfaces were examined by stereoscopy, scanning electron microscopy (SEM) and transmission electron microscopy (TEM). Results revealed that multi-wall carbon nanotubes could be formed over nanocatalyst generated on the alloy surface by exploiting metal dusting process. By optimization of reaction parameters the yields of carbon nanotube materials obtained were 700-1000%. Also it has been shown herein that the amount of carbon nanotube materials remarkably increases when the reaction time is extended up to 300 h, indicating a possibility of the mass production by this easy method.

  11. Quasifission and fusion-fission in reactions with massive nuclei: Comparison of reactions leading to the Z=120 element

    SciTech Connect

    Nasirov, A. K.; Giardina, G.; Mandaglio, G.; Manganaro, M.; Hanappe, F.; Heinz, S.; Hofmann, S.; Muminov, A. I.; Scheid, W.

    2009-02-15

    The yields of evaporation residues, fusion-fission, and quasifission fragments in the {sup 48}Ca+{sup 144,154}Sm and {sup 16}O+{sup 186}W reactions are analyzed in the framework of the combined theoretical method based on the dinuclear system concept and advanced statistical model. The measured yields of evaporation residues for the {sup 48}Ca+{sup 154}Sm reaction can be well reproduced. The measured yields of fission fragments are decomposed into contributions coming from fusion-fission, quasifission, and fast-fission. The decrease in the measured yield of quasifission fragments in {sup 48}Ca+{sup 154}Sm at the large collision energies and the lack of quasifission fragments in the {sup 48}Ca+{sup 144}Sm reaction are explained by the overlap in mass angle distributions of the quasifission and fusion-fission fragments. The investigation of the optimal conditions for the synthesis of the new element Z=120 (A=302) show that the {sup 54}Cr+{sup 248}Cm reaction is preferable in comparison with the {sup 58}Fe+{sup 244}Pu and {sup 64}Ni+{sup 238}U reactions because the excitation function of the evaporation residues of the former reaction is some orders of magnitude larger than that for the last two reactions.

  12. Acid-free aza Diels-Alder reaction of Danishefsky's diene with imines.

    PubMed

    Yuan, Yu; Li, Xin; Ding, Kuiling

    2002-09-19

    [reaction: see text] A highly efficient aza Diels-Alder reaction of Danishefsky's diene with imines was found to occur in methanol in the absence of any acids at room temperature to give corresponding 2-substituted dihydro-4-pyridone derivatives in high yields. This reaction can be also carried out in a three-component one-pot reaction manner. The reaction was found to proceed through a Mannich-type condensation mechanism.

  13. Copper-Catalyzed Click Reaction on/in Live Cells.

    PubMed

    Li, Siheng; Wang, Lin; Yu, Fei; Zhu, Zhiling; Shobaki, Dema; Chen, Haoqing; Wang, Mu; Wang, Jun; Qin, Guoting; Erasquin, Uriel J; Ren, Li; Wang, Yingjun; Cai, Chengzhi

    2017-03-01

    We demonstrated that copper-catalyzed azide-alkyne cycloaddition (CuAAC) reaction could be performed inside live mammalian cells without using a chelating azide. Under optimized conditions, the reaction was performed in human ovary cancer cell line OVCAR5 in which newly synthesized proteins were metabolically modified with homopropargylglycine (HPG). This model system allowed us to estimate the efficiency of the reaction on the cell membranes and in the cytosol using mass spectrometry. We found that the reaction was greatly promoted by a tris(triazolylmethyl)amine Cu(I) ligand tethering a cell-penetrating peptide. Uptake of the ligand, copper, and a biotin-tagged azide in the cells was determined to be 69 ± 2, 163 ± 3 and 1.3 ± 0.1 µM, respectively. After 10 minutes of reaction, the product yields on the membrane and cytosolic proteins were higher than 18% and 0.8%, respectively, while 75% cells remained viable. By reducing the biothiols in the system by scraping or treatment with N-ethylmalemide, the reaction yield on the cytosolic proteins was greatly improved to ~9% and ~14%, respectively, while the yield on the membrane proteins remained unchanged. The results indicate that out of many possibilities, deactivation of the current copper catalysts by biothiols is the major reason for the low yield of CuAAC reaction in the cytosol. Overall, we have improved the efficiency for CuAAC reaction on live cells by 3-fold. Despite the low yielding inside live cells, the products that strongly bind to the intracellular targets can be detected by mass spectrometry. Hence, the in situ CuAAC reaction can be potentially used for screening of cell-specific enzyme inhibitors or biomarkers containing 1,4-substituted 1,2,3-triazoles.

  14. Crop Yield Response to Increasing Biochar Rates

    Technology Transfer Automated Retrieval System (TEKTRAN)

    The benefit or detriment to crop yield from biochar application varies with biochar type/rate, soil, crop, or climate. The objective of this research was to identify yield response of cotton (Gossypium hirsutum L.), corn (Zea mayes L.), and peanut (Arachis hypogaea L.) to hardwood biochar applied at...

  15. Yield potential of pigeon pea cultivars

    Technology Transfer Automated Retrieval System (TEKTRAN)

    Yield potential of twelve vegetable pigeon pea (Cajanus cajun) cultivars was evaluated at two locations in eastern Kenya during 2012 and 2013 cropping years. Pigeon pea pod numbers, seeds per pod, seed mass, grain yield and shelling percentage were quantified in three replicated plots, arranged in a...

  16. Yielding behavior of dense microgel glasses

    NASA Astrophysics Data System (ADS)

    Joshi, R. G.; Tata, B. V. R.; Karthickeyan, D.

    2013-02-01

    We report here the yielding behavior of dense suspensions of stimuli-responsive poly-N-isopropyl acrylamide (PNIPAM) microgel particles studied by performing oscillatory shear measurements. At a volume fraction of φ = 0.6 (labeled as sample S1) the suspension is characterized to be repulsive glass by dynamic light scattering technique and showed one step yielding. Quite interestingly higher volume fraction sample (S2) prepared by osmotically compressing sample S1, showed yielding occurring in two steps. Such one step yielding behavior turning into two step yielding was reported by Pham et al [Europhys. Lett., 75, 624 (2006)] in hard-sphere repulsive colloidal glass when transformed into an attractive glass by inducing depletion attraction. We confirm the repulsive interparticle interaction between PNIPAM microgel particles turning into attractive upon osmotic compression by static light scattering measurements.

  17. Wheat yield dynamics: a structural econometric analysis.

    PubMed

    Sahin, Afsin; Akdi, Yilmaz; Arslan, Fahrettin

    2007-10-15

    In this study we initially have tried to explore the wheat situation in Turkey, which has a small-open economy and in the member countries of European Union (EU). We have observed that increasing the wheat yield is fundamental to obtain comparative advantage among countries by depressing domestic prices. Also the changing structure of supporting schemes in Turkey makes it necessary to increase its wheat yield level. For this purpose, we have used available data to determine the dynamics of wheat yield by Ordinary Least Square Regression methods. In order to find out whether there is a linear relationship among these series we have checked each series whether they are integrated at the same order or not. Consequently, we have pointed out that fertilizer usage and precipitation level are substantial inputs for producing high wheat yield. Furthermore, in respect for our model, fertilizer usage affects wheat yield more than precipitation level.

  18. The OH + HBr reaction revisited

    NASA Technical Reports Server (NTRS)

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

    1985-01-01

    Variable-temperature measurements of the rate coefficient /k(1)/ for the reaction OH + HBr yield Br + H2O are presented. The measurements are verified by two techniques: one involved a 266-nm pulsed-laser photolysis of O3/H2O/HBr/He mixtures in conjunction with time-resolved resonance fluorescence detection of OH, the second comprised pulsed laser-induced fluorescence detection of OH following 248-nm pulsed-laser photolysis of H2O2/HBr/Ar mixtures. It is reported that k(1) = (11.9 + or -1.4 x 10 to the -12th (cu cm)/(molecule)(s) independent of temperature. The measurements are compared with other available results.

  19. Copper activation deuterium-tritium neutron yield measurements at the National Ignition Facility.

    PubMed

    Cooper, G W; Ruiz, C L; Leeper, R J; Chandler, G A; Hahn, K D; Nelson, A J; Torres, J A; Smelser, R M; McWatters, B R; Bleuel, D L; Yeamans, C B; Knittel, K M; Casey, D T; Frenje, J A; Gatu Johnson, M; Petrasso, R D; Styron, J D

    2012-10-01

    A DT neutron yield diagnostic based on the reactions, (63)Cu(n,2n)(62)Cu(β(+)) and (65)Cu(n,2n)( 64) Cu(β(+)), has been fielded at the National Ignition Facility (NIF). The induced copper activity is measured using a NaI γ-γ coincidence system. Uncertainties in the 14-MeV DT yield measurements are on the order of 7% to 8%. In addition to measuring yield, the ratio of activities induced in two, well-separated copper samples are used to measure the relative anisotropy of the fuel ρR to uncertainties as low as 5%.

  20. Noncanonical reactions of flavoenzymes.

    PubMed

    Sobrado, Pablo

    2012-11-05

    Enzymes containing flavin cofactors are predominantly involved in redox reactions in numerous cellular processes where the protein environment modulates the chemical reactivity of the flavin to either transfer one or two electrons. Some flavoenzymes catalyze reactions with no net redox change. In these reactions, the protein environment modulates the reactivity of the flavin to perform novel chemistries. Recent mechanistic and structural data supporting novel flavin functionalities in reactions catalyzed by chorismate synthase, type II isopentenyl diphosphate isomerase, UDP-galactopyranose mutase, and alkyl-dihydroxyacetonephosphate synthase are presented in this review. In these enzymes, the flavin plays either a direct role in acid/base reactions or as a nucleophile or electrophile. In addition, the flavin cofactor is proposed to function as a "molecular scaffold" in the formation of UDP-galactofuranose and alkyl-dihydroxyacetonephosphate by forming a covalent adduct with reaction intermediates.

  1. Reaction spreading on graphs.

    PubMed

    Burioni, Raffaella; Chibbaro, Sergio; Vergni, Davide; Vulpiani, Angelo

    2012-11-01

    We study reaction-diffusion processes on graphs through an extension of the standard reaction-diffusion equation starting from first principles. We focus on reaction spreading, i.e., on the time evolution of the reaction product M(t). At variance with pure diffusive processes, characterized by the spectral dimension d{s}, the important quantity for reaction spreading is found to be the connectivity dimension d{l}. Numerical data, in agreement with analytical estimates based on the features of n independent random walkers on the graph, show that M(t)∼t{d{l}}. In the case of Erdös-Renyi random graphs, the reaction product is characterized by an exponential growth M(t)e{αt} with α proportional to ln(k), where (k) is the average degree of the graph.

  2. Intermolecular addition reactions of N-alkyl-N-chlorosulfonamides to unsaturated compounds.

    PubMed

    Heuger, Gerold; Göttlich, Richard

    2015-01-01

    N-Alkyl-N-chlorosulfonamides add to alkenes under copper(I) catalysis. In reactions of styrene derivatives with terminal double bonds the addition products were obtained in excellent yield and high regioselectivity. Lower yields are obtained in addition reactions to non-aromatic alkenes. The reaction most likely proceeds via a redox catalysis and amidyl radicals, a concerted mechanism has been ruled out and a polar mechanism via chloronium ions would lead to the opposite regiochemistry.

  3. Automatic NMR-based identification of chemical reaction types in mixtures of co-occurring reactions.

    PubMed

    Latino, Diogo A R S; Aires-de-Sousa, João

    2014-01-01

    The combination of chemoinformatics approaches with NMR techniques and the increasing availability of data allow the resolution of problems far beyond the original application of NMR in structure elucidation/verification. The diversity of applications can range from process monitoring, metabolic profiling, authentication of products, to quality control. An application related to the automatic analysis of complex mixtures concerns mixtures of chemical reactions. We encoded mixtures of chemical reactions with the difference between the (1)H NMR spectra of the products and the reactants. All the signals arising from all the reactants of the co-occurring reactions were taken together (a simulated spectrum of the mixture of reactants) and the same was done for products. The difference spectrum is taken as the representation of the mixture of chemical reactions. A data set of 181 chemical reactions was used, each reaction manually assigned to one of 6 types. From this dataset, we simulated mixtures where two reactions of different types would occur simultaneously. Automatic learning methods were trained to classify the reactions occurring in a mixture from the (1)H NMR-based descriptor of the mixture. Unsupervised learning methods (self-organizing maps) produced a reasonable clustering of the mixtures by reaction type, and allowed the correct classification of 80% and 63% of the mixtures in two independent test sets of different similarity to the training set. With random forests (RF), the percentage of correct classifications was increased to 99% and 80% for the same test sets. The RF probability associated to the predictions yielded a robust indication of their reliability. This study demonstrates the possibility of applying machine learning methods to automatically identify types of co-occurring chemical reactions from NMR data. Using no explicit structural information about the reactions participants, reaction elucidation is performed without structure elucidation of

  4. Reaction kinetics of hydrothermal carbonization of loblolly pine.

    PubMed

    Reza, M Toufiq; Yan, Wei; Uddin, M Helal; Lynam, Joan G; Hoekman, S Kent; Coronella, Charles J; Vásquez, Victor R

    2013-07-01

    Hydrothermal carbonization (HTC) is a pretreatment process to convert diverse feedstocks to homogeneous energy-dense solid fuels. Understanding of reaction kinetics is necessary for reactor design and optimization. In this study, the reaction kinetics and effects of particle size on HTC were investigated. Experiments were conducted in a novel two-chamber reactor maintaining isothermal conditions for 15s to 30 min reaction times. Loblolly pine was treated at 200, 230, and 260°C. During the first few minutes of reaction, the solid-product mass yield decreases rapidly while the calorific value increases rapidly. A simple reaction mechanism is proposed and validated, in which both hemicellulose and cellulose degrade in parallel first-order reactions. Activation energy of hemicellulose and cellulose degradation were determined to be 30 and 73 kJ/mol, respectively. For short HTC times, both reaction and diffusion effects were observed.

  5. Nuclear reaction studies

    SciTech Connect

    Alexander, J.M.; Lacey, R.A.

    1994-11-01

    Research focused on the statistical and dynamical properties of ``hot`` nuclei formed in symmetric heavy-ion reactions. Theses included ``flow`` measurements and the mechanism for multifragment disassembly. Model calculations are being performed for the reactions C+C, Ne+Al, Ar+Sc, Kr+Nb, and Xe+La. It is planned to study {sup 40}Ar reactions from 27 to 115 MeV/nucleon. 2 figs., 41 refs.

  6. Sleeve reaction chamber system

    DOEpatents

    Northrup, M. Allen; Beeman, Barton V.; Benett, William J.; Hadley, Dean R.; Landre, Phoebe; Lehew, Stacy L.; Krulevitch, Peter A.

    2009-08-25

    A chemical reaction chamber system that combines devices such as doped polysilicon for heating, bulk silicon for convective cooling, and thermoelectric (TE) coolers to augment the heating and cooling rates of the reaction chamber or chambers. In addition the system includes non-silicon-based reaction chambers such as any high thermal conductivity material used in combination with a thermoelectric cooling mechanism (i.e., Peltier device). The heat contained in the thermally conductive part of the system can be used/reused to heat the device, thereby conserving energy and expediting the heating/cooling rates. The system combines a micromachined silicon reaction chamber, for example, with an additional module/device for augmented heating/cooling using the Peltier effect. This additional module is particularly useful in extreme environments (very hot or extremely cold) where augmented heating/cooling would be useful to speed up the thermal cycling rates. The chemical reaction chamber system has various applications for synthesis or processing of organic, inorganic, or biochemical reactions, including the polymerase chain reaction (PCR) and/or other DNA reactions, such as the ligase chain reaction.

  7. Sensitivity of quantum yield for O(/sup 1/D) production from ozone photolysis

    SciTech Connect

    Wuebbles, D.J.; Tarp, R.L.

    1980-06-01

    Recent laboratory studies have indicated that the quantum yield for O(/sup 1/D) production from photolysis of ozone may be less than unity at wavelengths shorter than 300 nm (below the fall off region). Previously it had been assumed that the quantum yield was unity at these wavelengths. Based on the recent work of Brock and Watson (who measured the quantum yield at 266 nm), the effect of assuming a quantum yield of 0.9 for O(/sup 1/D) production at wavelengths less than 300 nm in the LLL 1-d model was tested. Since measurements of the quantum yield fall off at longer wavelength also assume unity quantum yield below the fall off region, we also multiplied the O(/sup 1/D) quantum yield through this region by 0.9. The remaining quantum yield from the photolysis reaction is assumed to produce O(/sup 3/P) at all wavelengths so that the total quantum yield is unity.

  8. Event-Based Modeling of Driver Yielding Behavior at Unsignalized Crosswalks.

    PubMed

    Schroeder, Bastian J; Rouphail, Nagui M

    2011-07-01

    This research explores factors associated with driver yielding behavior at unsignalized pedestrian crossings and develops predictive models for yielding using logistic regression. It considers the effect of variables describing driver attributes, pedestrian characteristics and concurrent conditions at the crosswalk on the yield response. Special consideration is given to 'vehicle dynamics constraints' that form a threshold for the potential to yield. Similarities are identified to driver reaction in response to the 'amber' indication at a signalized intersection. The logit models were developed from data collected at two unsignalized mid-block crosswalks in North Carolina. The data include 'before' and 'after' observations of two pedestrian safety treatments, an in-street pedestrian crossing sign and pedestrian-actuated in-roadway warning lights.The analysis suggests that drivers are more likely to yield to assertive pedestrians who walk briskly in their approach to the crosswalk. In turn, the yield probability is reduced with higher speeds, deceleration rates and if vehicles are traveling in platoons. The treatment effects proved to be significant and increased the propensity of drivers to yield, but their effectiveness may be dependent on whether the pedestrian activates the treatment.The results of this research provide new insights on the complex interaction of pedestrians and vehicles at unsignalized intersections and have implications for future work towards predictive models for driver yielding behavior. The developed logit models can provide the basis for representing driver yielding behavior in a microsimulation modeling environment.

  9. Toward Direct Reaction-in-Flight Measurements

    NASA Astrophysics Data System (ADS)

    Wilhelmy, Jerry; Bredeweg, Todd; Fowler, Malcolm; Gooden, Matthew; Hayes, Anna; Rusev, Gencho; Caggiano, Joseph; Hatarik, Robert; Henry, Eugene; Tonchev, Anton; Yeaman, Charles; Bhike, Megha; Krishichayan, Krishi; Tornow, Werner

    2016-03-01

    At the National Ignition Facility (NIF) neutrons having energies greater than the equilibrium 14.1 MeV value can be produced via Reaction-in-Flight (RIF) interactions between plasma atoms and upscattered D or T ions. The yield and spectrum of these RIF produced neutrons carry information on the plasma properties as well as information on the stopping power of ions under plasma conditions. At NIF the yield of these RIF neutrons is predicted to be 4-7 orders of magnitude below the peak 14 MeV neutron yield. The current generation of neutron time of flight (nTOF) instrumentation has so far been incapable of detecting these low-yield neutrons primarily due to high photon backgrounds. To date, information on RIF neutrons has been obtained in integral activation experiments using reactions with high energy thresholds such as 169Tm(n,3n)167Tm and 209Bi(n,4n) 206Bi. Initial experiments to selectively suppress photon backgrounds have been performed at TUNL using pulsed monoenergetic neutron beams of 14.9, 18.5, 24.2, and 28.5 MeV impinging on a Bibenzyl scintillator. By placing 5 cm of Pb before the scintillator we were able to selectively suppress the photons from the flash occurring at the production target and enhance the n/_signal by ~6 times.

  10. Transverse flow reactor studies of the dynamics of radical reactions

    SciTech Connect

    Macdonald, R.G.

    1993-12-01

    Radical reactions are in important in combustion chemistry; however, little state-specific information is available for these reactions. A new apparatus has been constructed to measure the dynamics of radical reactions. The unique feature of this apparatus is a transverse flow reactor in which an atom or radical of known concentration will be produced by pulsed laser photolysis of an appropriate precursor molecule. The time dependence of individual quantum states or products and/or reactants will be followed by rapid infrared laser absorption spectroscopy. The reaction H + O{sub 2} {yields} OH + O will be studied.

  11. Flow Giese reaction using cyanoborohydride as a radical mediator

    PubMed Central

    Fukuyama, Takahide; Kawamoto, Takuji; Kobayashi, Mikako

    2013-01-01

    Summary Tin-free Giese reactions, employing primary, secondary, and tertiary alkyl iodides as radical precursors, ethyl acrylate as a radical trap, and sodium cyanoborohydride as a radical mediator, were examined in a continuous flow system. With the use of an automated flow microreactor, flow reaction conditions for the Giese reaction were quickly optimized, and it was found that a reaction temperature of 70 °C in combination with a residence time of 10–15 minutes gave good yields of the desired addition products. PMID:24062844

  12. Regression Models For Saffron Yields in Iran

    NASA Astrophysics Data System (ADS)

    S. H, Sanaeinejad; S. N, Hosseini

    Saffron is an important crop in social and economical aspects in Khorassan Province (Northeast of Iran). In this research wetried to evaluate trends of saffron yield in recent years and to study the relationship between saffron yield and the climate change. A regression analysis was used to predict saffron yield based on 20 years of yield data in Birjand, Ghaen and Ferdows cities.Climatologically data for the same periods was provided by database of Khorassan Climatology Center. Climatologically data includedtemperature, rainfall, relative humidity and sunshine hours for ModelI, and temperature and rainfall for Model II. The results showed the coefficients of determination for Birjand, Ferdows and Ghaen for Model I were 0.69, 0.50 and 0.81 respectively. Also coefficients of determination for the same cities for model II were 0.53, 0.50 and 0.72 respectively. Multiple regression analysisindicated that among weather variables, temperature was the key parameter for variation ofsaffron yield. It was concluded that increasing temperature at spring was the main cause of declined saffron yield during recent years across the province. Finally, yield trend was predicted for the last 5 years using time series analysis.

  13. Climate Change and Maize Yield in Iowa

    PubMed Central

    Xu, Hong; Twine, Tracy E.; Girvetz, Evan

    2016-01-01

    Climate is changing across the world, including the major maize-growing state of Iowa in the USA. To maintain crop yields, farmers will need a suite of adaptation strategies, and choice of strategy will depend on how the local to regional climate is expected to change. Here we predict how maize yield might change through the 21st century as compared with late 20th century yields across Iowa, USA, a region representing ideal climate and soils for maize production that contributes substantially to the global maize economy. To account for climate model uncertainty, we drive a dynamic ecosystem model with output from six climate models and two future climate forcing scenarios. Despite a wide range in the predicted amount of warming and change to summer precipitation, all simulations predict a decrease in maize yields from late 20th century to middle and late 21st century ranging from 15% to 50%. Linear regression of all models predicts a 6% state-averaged yield decrease for every 1°C increase in warm season average air temperature. When the influence of moisture stress on crop growth is removed from the model, yield decreases either remain the same or are reduced, depending on predicted changes in warm season precipitation. Our results suggest that even if maize were to receive all the water it needed, under the strongest climate forcing scenario yields will decline by 10–20% by the end of the 21st century. PMID:27219116

  14. Pollinator shortage and global crop yield

    PubMed Central

    Aizen, Marcelo A; Cunningham, Saul A; Klein, Alexandra M

    2009-01-01

    A pollinator decline caused by environmental degradation might be compromising the production of pollinator-dependent crops. In a recent article, we compared 45 year series (1961–2006) in yield, production and cultivated area of pollinator-dependent and nondependent crop around the world. If pollinator shortage is occurring globally, we expected a lower annual growth rate in yield for pollinator-dependent than nondependent crops, but a higher growth in cultivated area to compensate the lower yield. We have found little evidence for the first “yield” prediction but strong evidence for the second “area” prediction. Here, we present an additional analysis to show that the first and second predictions are both supported for crops that vary in dependency levels from nondependent to moderate dependence (i.e., up to 65% average yield reduction without pollinators). However, those crops for which animal pollination is essential (i.e., 95% average yield reduction without pollinators) showed higher growth in yield and lower expansion in area than expected in a pollination shortage scenario. We propose that pollination management for highly pollinator-dependent crops, such us renting hives or hand pollination, might have compensated for pollinator limitation of yield. PMID:19704865

  15. Climate Change and Maize Yield in Iowa.

    PubMed

    Xu, Hong; Twine, Tracy E; Girvetz, Evan

    2016-01-01

    Climate is changing across the world, including the major maize-growing state of Iowa in the USA. To maintain crop yields, farmers will need a suite of adaptation strategies, and choice of strategy will depend on how the local to regional climate is expected to change. Here we predict how maize yield might change through the 21st century as compared with late 20th century yields across Iowa, USA, a region representing ideal climate and soils for maize production that contributes substantially to the global maize economy. To account for climate model uncertainty, we drive a dynamic ecosystem model with output from six climate models and two future climate forcing scenarios. Despite a wide range in the predicted amount of warming and change to summer precipitation, all simulations predict a decrease in maize yields from late 20th century to middle and late 21st century ranging from 15% to 50%. Linear regression of all models predicts a 6% state-averaged yield decrease for every 1°C increase in warm season average air temperature. When the influence of moisture stress on crop growth is removed from the model, yield decreases either remain the same or are reduced, depending on predicted changes in warm season precipitation. Our results suggest that even if maize were to receive all the water it needed, under the strongest climate forcing scenario yields will decline by 10-20% by the end of the 21st century.

  16. Competing reaction channels in IR-laser-induced unimolecular reactions

    SciTech Connect

    Berman, M.R.

    1981-01-01

    The competing reaction channels in the unimolecular decomposition of two molecules, formaldehyde and tetralin were studied. A TEA CO/sub 2/ laser was used as the excitation source in all experiments. The dissociation of D/sub 2/CO was studied by infrared multiphoton dissociation (MPD) and the small-molecule nature of formaldehyde with regard to MPD was explored. The effect of collisions in MPD were probed by the pressure dependence of the MPD yield and ir fluorescence from multiphoton excited D/sub 2/CO. MPD yield shows a near cubic dependence in pure D/sub 2/CO which is reduced to a 1.7 power dependence when 15 torr of NO is added. The peak amplitude of 5 ..mu..m ir fluorescence from D/sub 2/CO is proportional to the square of the D/sub 2/CO pressure in pure D/sub 2/CO or in the presence of 50 torr of Ar. Results are explained in terms of bottlenecks to excitation at the v = 1 level which are overcome by a combination of vibrational energy transfer and rotational relaxation. The radical/molecule branching ratio in D/sub 2/CO MPD was 0.10 +- 0.02 at a fluence of 125 J/cm/sup 2/ at 946.0 cm/sup -1/. The barrier height to molecular dissociation was calculated to be 3.6 +- 2.0 kcal/mole below the radical threshold or 85.0 +- 3.0 kcal/mole above the ground state of D/sub 2/CO. In H/sub 2/CO, this corresponds to 2.5 +- 2.0 kcal/mole below the radical threshold or 83.8 +- 3.0 kcal/mole above the ground state. Comparison with uv data indicate that RRKM theory is an acceptable description of formaldehyde dissociation in the 5 to 10 torr pressure range. The unimolecular decomposition of tetralin was studied by MPD and SiF/sub 4/ - sensitized pyrolysis. Both techniques induce decomposition without the interference of catalytic surfaces. Ethylene loss is identified as the lowest energy reaction channel. Dehydrogenation is found to result from step-wise H atom loss. Isomerization via disproportionation is also identified as a primary reaction channel.

  17. Catalytic Direct-type 1,4-Addition Reactions of Alkylazaarenes.

    PubMed

    Suzuki, Hirotsugu; Igarashi, Ryo; Yamashita, Yasuhiro; Kobayashi, Shū

    2017-04-10

    1,4-addition reactions of alkylazaarenes catalyzed by strong Brønsted bases have been developed for the first time. The desired reactions with α,β-unsaturated amides proceeded under mild reaction conditions to give the 1,4-adducts in high yields. Both ortho- and para-substituted azaarenes afforded the desired adducts in high yields. Regioselective reactions of di- or trimethylpyridine were found to be possible depending on the acidity of the α-hydrogen atoms. Furthermore, a candidate of allosteric protein kinase modulators was synthesized in two steps. An asymmetric variant of this reaction was also found to be feasible.

  18. Optimizing rice yields while minimizing yield-scaled global warming potential.

    PubMed

    Pittelkow, Cameron M; Adviento-Borbe, Maria A; van Kessel, Chris; Hill, James E; Linquist, Bruce A

    2014-05-01

    To meet growing global food demand with limited land and reduced environmental impact, agricultural greenhouse gas (GHG) emissions are increasingly evaluated with respect to crop productivity, i.e., on a yield-scaled as opposed to area basis. Here, we compiled available field data on CH4 and N2 O emissions from rice production systems to test the hypothesis that in response to fertilizer nitrogen (N) addition, yield-scaled global warming potential (GWP) will be minimized at N rates that maximize yields. Within each study, yield N surplus was calculated to estimate deficit or excess N application rates with respect to the optimal N rate (defined as the N rate at which maximum yield was achieved). Relationships between yield N surplus and GHG emissions were assessed using linear and nonlinear mixed-effects models. Results indicate that yields increased in response to increasing N surplus when moving from deficit to optimal N rates. At N rates contributing to a yield N surplus, N2 O and yield-scaled N2 O emissions increased exponentially. In contrast, CH4 emissions were not impacted by N inputs. Accordingly, yield-scaled CH4 emissions decreased with N addition. Overall, yield-scaled GWP was minimized at optimal N rates, decreasing by 21% compared to treatments without N addition. These results are unique compared to aerobic cropping systems in which N2 O emissions are the primary contributor to GWP, meaning yield-scaled GWP may not necessarily decrease for aerobic crops when yields are optimized by N fertilizer addition. Balancing gains in agricultural productivity with climate change concerns, this work supports the concept that high rice yields can be achieved with minimal yield-scaled GWP through optimal N application rates. Moreover, additional improvements in N use efficiency may further reduce yield-scaled GWP, thereby strengthening the economic and environmental sustainability of rice systems.

  19. Yield-centric layout optimization with precise quantification of lithographic yield loss

    NASA Astrophysics Data System (ADS)

    Kobayashi, Sachiko; Kyoh, Suigen; Kinoshita, Koichi; Urakawa, Yukihiro; Morifuji, Eiji; Kuramoto, Satoshi; Inoue, Soichi

    2008-05-01

    Continuous shrinkage of the design rule in LSI devices brings about greater difficulty in the manufacturing process. Since not only process engineers' efforts but also yield-centric layout optimization is becoming increasingly important, such optimization has recently become a focus of interest. One of the approached is lithographic hotspot modification in design data. Using lithography compliance check and a hotspot fixing system in the early stage of design, design with wider process margin can be obtained. In order to achieve higher process yield after hotspot fixing, layout should be carefully optimized to decrease pattern-dependent yield loss. Since yield value for the design will fluctuate sensitively as designed pattern are modified, pattern should be optimized based on a comprehensive consideration of yield loss covering parametric, systematic and random effects. In this work, using lithography simulation, a lithographic yield loss model is defined and applied for precise quantification of process yield loss in 45 nm logic design. Yield loss values of each cell for lithographic, parametric and random effects are estimated, and then layouts through multiple layers are optimized to decrease total yield loss. As a result, litho-yield loss is greatly improved without deteriorating total yield value. Thus, layout is obtained that reflects an awareness of overall process yield.

  20. Microwave-Assisted Organic Synthesis in the Organic Teaching Lab: A Simple, Greener Wittig Reaction

    ERIC Educational Resources Information Center

    Martin, Eric; Kellen-Yuen, Cynthia

    2007-01-01

    A greener, microwave-assisted Wittig reaction has been developed for the second-semester organic teaching laboratory. Utilizing this microwave technique, a variety of styrene derivatives have been successfully synthesized from aromatic aldehydes in good yields (41-68%). The reaction not only occurs under neat reaction conditions, but also employs…

  1. Ultrasonic irradiation accelerated cyclopalladated ferrocenylimines catalyzed Suzuki reaction in neat water.

    PubMed

    Zhang, Jinli; Yang, Fan; Ren, Gerui; Mak, Thomas C W; Song, Maoping; Wu, Yangjie

    2008-02-01

    Both conventional heating and ultrasound effect on the cyclopalladated ferrocenylimines catalyzed Suzuki reaction of phenylboronic acid with a range of arylhalides in neat water was investigated. Heterogenous reaction of electron-withdrawing arylchlorides with phenylboronic acid could also result in good yields by using Cat. 2. It was found that the ultrasonic irradiation could dramatically accelerate the Suzuki reaction to achieve comparable results.

  2. Dual phase multiplex polymerase chain reaction

    DOEpatents

    Pemov, Alexander; Bavykin, Sergei

    2008-10-07

    Highly specific and sensitive methods were developed for multiplex amplification of nucleic acids on supports such as microarrays. Based on a specific primer design, methods include five types of amplification that proceed in a reaction chamber simultaneously. These relate to four types of multiplex amplification of a target DNA on a solid support, directed by forward and reverse complex primers immobilized to the support and a fifth type--pseudo-monoplex polymerase chain reaction (PCR) of multiple targets in solution, directed by a single pair of unbound universal primers. The addition of the universal primers in the reaction mixture increases the yield over the traditional "bridge" amplification on a solid support by approximately ten times. Methods that provide multitarget amplification and detection of as little as 0.45-4.5.times.10.sup.-12 g (equivalent to 10.sup.2-10.sup.3 genomes) of a bacterial genomic DNA are disclosed.

  3. Organic reactions catalyzed by methylrhenium trioxide: Reactions of ethyl diazoacetate and organic azides

    SciTech Connect

    Zhu, Z.; Espenson, J.H. |

    1996-10-16

    Methylrhenium trioxide (CH{sub 3}ReO{sub 3} or MTO) catalyzes several classes of reactions of ethyl diazoacetate, EDA. It is the first high valent oxo complex for carbene transfer. Under mild conditions and in the absence of other substrates, EDA was converted to a 9:1 mixture of diethyl maleate and diethyl fumarate. In the presence of alcohols, {alpha}-alkoxy ethyl acetates were obtained in good yield. The yields dropped for the larger and more branched alcohols, the balance of material being diethyl maleate and fumarate. An electron-donating group in the para position of phenols favors the formation of {alpha}-phenoxy ethyl acetates. The use of EDA to form {alpha}-thio ethyl acetates and N-substituted glycine ethyl esters, on the other hand, is hardly affected by the size or structure of the parent thiol or amine, with all of these reactions proceeding in high yield. MTO-catalyzed cycloaddition reactions occur between EDA and aromatic imines, olefins, and carbonyl compounds. Three-membered ring products are formed: aziridines, cyclopropanes, and epoxides, respectively. The reactions favor the formation of trans products, and provide a convenient route for the preparation of aziridines. Intermediate carbenoid and nitrenoid species have been proposed. In the presence of an oxygen source such as an epoxide, ethyl diazoacetate and azibenzil are converted to an oxalic acid monoethyl ester and to benzil; at the same time the epoxide was converted to an olefin. 75 refs., 1 fig., 7 tabs.

  4. Influence of the hyper-terms in mass formulae on yield of hypernuclei in nuclear reactions

    NASA Astrophysics Data System (ADS)

    Buyukcizmeci, N.; Botvina, A. S.; Ogul, R.

    2017-02-01

    Nowadays, hypernuclear physics has attracted great interest in many fields of physics. One of the particular interest is the understanding of strange particles in baryonic matter, since many questions in heavy-ion physics, particle physics and astrophysics are related to the effect of strangeness in nuclear matter. The contribution of hyperons strongly influences the masses of neutron stars as well. In the past decade a considerable amount of spectroscopic information was accumulated experimentally on the Lambda hypernuclei. We compared different mass formulas for single and multiple Lambda hypernuclei.

  5. Neutron yields for reactions induced by 120 GeV protons on thick copper target

    SciTech Connect

    Kajimoto, Tsuyoshi; Sanami, Toshiya; Iwamoto, Yosuke; Shigyo, Nobuhiro; Hagiwara, Masayuki; Saitoh, Kiwamu; Nakashima, Hiroshi; Ishibashi, Kenji; Lee, Hee-Seock; Ramberg, Eric; Coleman, Richard; /Fermilab

    2011-02-01

    We developed an experimental method to measure neutron energy spectrum for 120-GeV protons on a thick copper target at Fermilab Test Beam Facility (FTBF). The spectrum in the energy range from 16 to 1600 MeV was obtained for 60-cm long copper target by time-of-flight technique with an NE213 scintillator and 5.5-m flight path. Energy spectra of neutrons generated from an interaction with beam and materials are important to design shielding structure of high energy accelerators. Until now, the energy spectra for the incident energy up to 3 GeV have been measured by several groups, Ishibashi et al., Amian et al., and Leray et al. In the energy region above 3 GeV, few experimental data are available because of small number of facilities for neutron experiment. On the other hand, concerning simulation codes, theoretical models for particle generation and transportation are switched from intermediate to high energy one around this energy. The spectra calculated by the codes have not been examined using experimental data. In shielding experiments using 120 GeV hadron beam, experimental data shows systematic differences from calculations. Hagiwara et al. have measured leakage neutron spectra behind iron and concrete shield from 120 GeV proton on target at anti-proton target station in Fermilab by using Bonner Spheres with unfolding technique. In CERN, Nakao et al reported experimental results of neutron spectra behind iron and concrete wall from 120 GeV/c proton and pion mixed beam on copper by using NE213 liquid scintillators with unfolding technique. Both of the results reported systematic discrepancies between experimental and calculation results. Therefore, experimental data are highly required to verify neutron production part of calculations. In this study, we developed an experimental method to measure neutron energy spectrum for 120 GeV proton on target. The neutron energy was determined using time-of-flight technique. We used the Fermilab Test Beam Facility (FTBF) in Fermilab that provided 120 GeV proton beam with intensity of 2 x 10{sup 5}/4 sec in every minute. The point of this study was determination of experimental configuration to satisfy enough statistic and energy resolution of neutrons.

  6. Oscillating Reactions: Two Analogies

    ERIC Educational Resources Information Center

    Petruševski, Vladimir M.; Stojanovska, Marina I.; Šoptrajanov, Bojan T.

    2007-01-01

    Oscillating chemical reactions are truly spectacular phenomena, and demonstrations are always appreciated by the class. However, explaining such reactions to high school or first-year university students is problematic, because it may seem that no acceptable explanation is possible unless the students have profound knowledge of both physical…

  7. Degradations and Rearrangement Reactions

    NASA Astrophysics Data System (ADS)

    Zhang, Jianbo

    This section deals with recent reports concerning degradation and rearrangement reactions of free sugars as well as some glycosides. The transformations are classified in chemical and enzymatic ways. In addition, the Maillard reaction will be discussed as an example of degradation and rearrangement transformation and its application in current research in the fields of chemistry and biology.

  8. Photoinduced Multicomponent Reactions.

    PubMed

    Garbarino, Silvia; Ravelli, Davide; Protti, Stefano; Basso, Andrea

    2016-12-12

    The combination of multicomponent approaches with light-driven processes opens up new scenarios in the area of synthetic organic chemistry, where the need for sustainable, atom- and energy-efficient reactions is increasingly urgent. Photoinduced multicomponent reactions are still in their infancy, but significant developments in this area are expected in the near future.

  9. Lithium Cell Reactions.

    DTIC Science & Technology

    1983-12-01

    SUPPLEMENTARY NOTES It. KEY WORDS (Continue on reverse .,ide if necessary and Identify by block number) Batteries Thionyl Chloride Batteries Lithium ...Batteries Lithium Cells Primary Batteries Thionyl Chloride Cells Non Rechargeable Batteries Electrochemical Reactions 20. ABSTRACT (Continue on reverse...INVESTIGATION OF CHEMICAL, ELECTROCHEMICAL AND PARASITIC REACTIONS IN LITHIUM - THIONYL CHLORIDE CELLS .......................................... 1 1.0 IN TRO D UC

  10. Clock Reaction: Outreach Attraction

    ERIC Educational Resources Information Center

    Carpenter, Yuen-ying; Phillips, Heather A.; Jakubinek, Michael B.

    2010-01-01

    Chemistry students are often introduced to the concept of reaction rates through demonstrations or laboratory activities involving the well-known iodine clock reaction. For example, a laboratory experiment involving thiosulfate as an iodine scavenger is part of the first-year general chemistry laboratory curriculum at Dalhousie University. With…

  11. Hydrogen evolution reaction catalyst

    DOEpatents

    Subbaraman, Ram; Stamenkovic, Vojislav; Markovic, Nenad; Tripkovic, Dusan

    2016-02-09

    Systems and methods for a hydrogen evolution reaction catalyst are provided. Electrode material includes a plurality of clusters. The electrode exhibits bifunctionality with respect to the hydrogen evolution reaction. The electrode with clusters exhibits improved performance with respect to the intrinsic material of the electrode absent the clusters.

  12. REUSABLE REACTION VESSEL

    DOEpatents

    Soine, T.S.

    1963-02-26

    This patent shows a reusable reaction vessel for such high temperature reactions as the reduction of actinide metal chlorides by calcium metal. The vessel consists of an outer metal shell, an inner container of refractory material such as sintered magnesia, and between these, a bed of loose refractory material impregnated with thermally conductive inorganic salts. (AEC)

  13. Reactions to Attitudinal Deviancy.

    ERIC Educational Resources Information Center

    Levine, John M.; Allen, Vernon L.

    This paper presents a critical review of empirical and theoretical treatments of group reaction to attitudinal deviancy. Inspired by Festinger's (1950) ideas on resolution of attitudinal discrepancies in groups, Schachter (1951) conducted an experiment that has greatly influenced subsequent research and theory concerning reaction to attitudinal…

  14. Applications of Reaction Rate

    ERIC Educational Resources Information Center

    Cunningham, Kevin

    2007-01-01

    This article presents an assignment in which students are to research and report on a chemical reaction whose increased or decreased rate is of practical importance. Specifically, students are asked to represent the reaction they have chosen with an acceptable chemical equation, identify a factor that influences its rate and explain how and why it…

  15. Chemical Reaction Problem Solving.

    ERIC Educational Resources Information Center

    Veal, William

    1999-01-01

    Discusses the role of chemical-equation problem solving in helping students predict reaction products. Methods for helping students learn this process must be taught to students and future teachers by using pedagogical skills within the content of chemistry. Emphasizes that solving chemical reactions should involve creative cognition where…

  16. Interfacing supercritical fluid reaction apparatus with on-line liquid chromatography: monitoring the progress of a synthetic organic reaction performed in supercritical fluid solution.

    PubMed

    Ramsey, Edward D; Li, Ben; Guo, Wei; Liu, Jing Y

    2015-04-03

    An interface has been developed that connects a supercritical fluid reaction (SFR) vessel directly on-line to a liquid chromatograph. The combined SFR-LC system has enabled the progress of the esterification reaction between phenol and benzoyl chloride to synthesize phenyl benzoate in supercritical fluid carbon dioxide solution to be dynamically monitored. This was achieved by the periodic SFR-LC analysis of samples directly withdrawn from the esterification reaction mixture. Using the series of SFR-LC analysis results obtained for individual esterification reactions, the reaction progress profile for each esterification reaction was obtained by expressing the measured yield of phenyl benzoate as a function of reaction time. With reaction temperature fixed at 75°C, four sets (n=3) of SFR-LC reaction progress profiles were obtained at four different SFR pressures ranging from 13.79 to 27.58 MPa. The maximum SFR yield obtained for phenyl benzoate using a standard set of reactant concentrations was 85.2% (R.S.D. 4.2%) when the reaction was performed at 13.79 MPa for 90 min. In comparison, a phenyl benzoate yield of less than 0.3% was obtained using the same standard reactant concentrations after 90 min reaction time at 75°C using either: heptane, ethyl acetate or acetonitrile as conventional organic reaction solvents.

  17. THE QUANTUM YIELD OF OXYGEN PRODUCTION BY CHLOROPLASTS SUSPENDED IN SOLUTIONS CONTAINING FERRIC OXALATE

    PubMed Central

    French, C. S.; Rabideau, G. S.

    1945-01-01

    1. The quantum yield of oxygen liberation by spinach and Tradescantia chloroplasts suspended in solutions containing ferric oxalate and potassium ferricyanide varied from 0.013 to 0.080. 2. It was concluded that the nature of this oxygen liberation reaction is not fundamentally different from the formation of oxygen in normal photosynthesis, with respect to its light efficiency. PMID:19873423

  18. The yield stress of foamy sands

    SciTech Connect

    Kam, S. I.; Gauglitz, Phillip A.; Rossen, W R.

    2002-03-26

    The yield stress of a mixture of foam and solids, or foamy sand, was investigated theoretically using 2D periodic model. The range of solid fractions considered was from about 40 to 68%. The yield stress of a foamy sand increases with gas fraction at a given solid fraction and increases with solid fraction at a given gas fraction. At a fixed fraction of solid plus gas, yield stress is relatively insensitive to gas or solid fraction alone. There exists a maximum liquid fraction above which the yield stress disappears. These trends agree with those reported for foamy sands encountered in tunneling through soft sediments and proppant-laden fracturing fluids used in the petroleum industry.

  19. Predicting yields for autotrophic and cometabolic processes

    SciTech Connect

    Andrews, G.

    1995-12-31

    The goal of bioprocess engineering is to state how the optimum design and control strategy for a bioprocess follow from the metabolism of the particular microorganism. A necessary step toward this goal is to show how the parameters used in quantitative descriptions of a process (e.g., yield and maintenance coefficients) are related to those describing the metabolism [e.g., Y{sub ATP}, (P/O)]. The {open_quotes}yield equation{close_quotes} approach to this problem involves dividing metabolism into the separate pathways for catabolism, anabolism, respiration, and product formation and balancing the production and consumption of reducing equivalents and ATP. The general approach, demonstrated previously for heterotrophic cell growth and products of fermentation, is illustrated by three new examples: the cell yield for chemoautotrophic iron-oxidizing bacteria, the cometabolic degradation of chloroform by methanotrophic bacteria, and the theoretical yield of succinic acid from glucose.

  20. Suspended sediment yield mapping of Northern Eurasia

    NASA Astrophysics Data System (ADS)

    Maltsev, K. A.; Yermolaev, O. P.; Mozzherin, V. V.

    2015-03-01

    The mapping of river sediment yields at continental or global scale involves a number of technical difficulties that have largely been ignored. The maps need to show the large zonal peculiarities of river sediment yields, as well as the level (smoothed) local anomalies. This study was carried out to create a map of river sediment yields for Northern Eurasia (within the boundaries of the former Soviet Union, 22 × 106 km2) at a scale of 1:1 500 000. The data for preparing the map were taken from the long-term observations recorded at more than 1000 hydrological stations. The data have mostly been collected during the 20th century by applying a single method. The creation of this map from the study of river sediment yield is a major step towards enhancing international research on understanding the mechanical denudation of land due mainly to erosion.

  1. User's appraisal of yield model evaluation criteria

    NASA Technical Reports Server (NTRS)

    Warren, F. B. (Principal Investigator)

    1982-01-01

    The five major potential USDA users of AgRISTAR crop yield forecast models rated the Yield Model Development (YMD) project Test and Evaluation Criteria by the importance placed on them. These users were agreed that the "TIMELINES" and "RELIABILITY" of the forecast yields would be of major importance in determining if a proposed yield model was worthy of adoption. Although there was considerable difference of opinion as to the relative importance of the other criteria, "COST", "OBJECTIVITY", "ADEQUACY", AND "MEASURES OF ACCURACY" generally were felt to be more important that "SIMPLICITY" and "CONSISTENCY WITH SCIENTIFIC KNOWLEDGE". However, some of the comments which accompanied the ratings did indicate that several of the definitions and descriptions of the criteria were confusing.

  2. Boosting production yield of biomedical peptides

    NASA Technical Reports Server (NTRS)

    Manatt, S. L.

    1978-01-01

    Nuclear magnetic resonance (NMR) technique is employed to monitor synthesis of biomedical peptides. Application of NMR technique may improve production yields of insulin, ACTH, and growth hormones, as well as other synthesized biomedical peptides.

  3. Absolute quantum yield measurement of powder samples.

    PubMed

    Moreno, Luis A

    2012-05-12

    Measurement of fluorescence quantum yield has become an important tool in the search for new solutions in the development, evaluation, quality control and research of illumination, AV equipment, organic EL material, films, filters and fluorescent probes for bio-industry. Quantum yield is calculated as the ratio of the number of photons absorbed, to the number of photons emitted by a material. The higher the quantum yield, the better the efficiency of the fluorescent material. For the measurements featured in this video, we will use the Hitachi F-7000 fluorescence spectrophotometer equipped with the Quantum Yield measuring accessory and Report Generator program. All the information provided applies to this system. Measurement of quantum yield in powder samples is performed following these steps: 1. Generation of instrument correction factors for the excitation and emission monochromators. This is an important requirement for the correct measurement of quantum yield. It has been performed in advance for the full measurement range of the instrument and will not be shown in this video due to time limitations. 2. Measurement of integrating sphere correction factors. The purpose of this step is to take into consideration reflectivity characteristics of the integrating sphere used for the measurements. 3. Reference and Sample measurement using direct excitation and indirect excitation. 4. Quantum Yield calculation using Direct and Indirect excitation. Direct excitation is when the sample is facing directly the excitation beam, which would be the normal measurement setup. However, because we use an integrating sphere, a portion of the emitted photons resulting from the sample fluorescence are reflected by the integrating sphere and will re-excite the sample, so we need to take into consideration indirect excitation. This is accomplished by measuring the sample placed in the port facing the emission monochromator, calculating indirect quantum yield and correcting the direct

  4. Reactions and their management.

    PubMed

    Ganapati, R; Pai, V V

    2004-12-01

    The uneventful response to chemotherapy in leprosy is marked by clinically disturbing episodes encountered in 20-30% of patients and these phenomena are called "reactions". Generally they are classified as reversal reaction (type-1) and erythema nodosum leprosum (type-2). The cutaneous menifestations are: (1) Type-2 reactions in LL, BL types constituting erythema nodosum leprosum, erythema multiforme, erythema necroticans, subcutaneous nodules, lepromatous exacerbation. (2) Type-1 reactions in borderline and tuberculoid leprosy. The other manifestations include: Acute neuritis, lymphadenitis, arthritis, oedema of the hands and feet, ocular lesions, etc. Sequelae of reactions are: Paralytic deformities, non-paralytic deformities, extensive scarring and renal damage. A simple guideline to identify the risk-prone cases has been narrated. Prednisolone in standard dosage schedule as recommended by WHO is now being widely used in control programmes.

  5. Chemical insights, explicit chemistry and yields of secondary organic aerosol from methylglyoxal and glyoxal

    NASA Astrophysics Data System (ADS)

    Lim, Y. B.; Tan, Y.; Turpin, B. J.

    2013-02-01

    Atmospherically abundant, volatile water soluble organic compounds formed through gas phase chemistry (e.g., glyoxal (C2), methylglyoxal (C3) and acetic acid) have great potential to form secondary organic aerosol (SOA) via aqueous chemistry in clouds, fogs and wet aerosols. This paper (1) provides chemical insights into aqueous-phase OH radical-initiated reactions leading to SOA formation from methylglyoxal and (2) uses this and a previously published glyoxal mechanism (Lim et al., 2010) to provide SOA yields for use in chemical transport models. Detailed reaction mechanisms including peroxy radical chemistry and a full kinetic model for aqueous photochemistry of acetic acid and methylglyoxal are developed and validated by comparing simulations with the experimental results from previous studies (Tan et al., 2010, 2012). This new methylglyoxal model is then combined with the previous glyoxal model (Lim et al., 2010), and is used to simulate the profiles of products and to estimate SOA yields. At cloud relevant concentrations (∼ 10-6-∼ 10-3 M; Munger et al., 1995) of glyoxal and methylglyoxal, the major photooxidation products are oxalic acid and pyruvic acid, and simulated SOA yields (by mass) are ∼ 120% for glyoxal and ∼ 80% for methylglyoxal. Oligomerization of unreacted aldehydes during droplet evaporation could enhance yields. In wet aerosols, where total dissolved organics are present at much higher concentrations (∼ 10 M), the major products are oligomers formed via organic radical-radical reactions, and simulated SOA yields (by mass) are ∼ 90% for both glyoxal and methylglyoxal.

  6. LACIE: Wheat yield models for the USSR

    NASA Technical Reports Server (NTRS)

    Sakamoto, C. M.; Leduc, S. K.

    1977-01-01

    A quantitative model determining the relationship between weather conditions and wheat yield in the U.S.S.R. was studied to provide early reliable forecasts on the size of the U.S.S.R. wheat harvest. Separate models are developed for spring wheat and for winter. Differences in yield potential and responses to stress conditions and cultural improvements necessitate models for each class.

  7. Acid hydrolysis of cellulose to yield glucose

    DOEpatents

    Tsao, George T.; Ladisch, Michael R.; Bose, Arindam

    1979-01-01

    A process to yield glucose from cellulose through acid hydrolysis. Cellulose is recovered from cellulosic materials, preferably by pretreating the cellulosic materials by dissolving the cellulosic materials in Cadoxen or a chelating metal caustic swelling solvent and then precipitating the cellulose therefrom. Hydrolysis is accomplished using an acid, preferably dilute sulfuric acid, and the glucose is yielded substantially without side products. Lignin may be removed either before or after hydrolysis.

  8. Mechanism of cis-prenyltransferase reaction probed by substrate analogues

    SciTech Connect

    Lu, Yen-Pin; Liu, Hon-Ge; Teng, Kuo-Hsun; Liang, Po-Huang

    2010-10-01

    Research highlights: {yields} The extremely slow trans-OPPS reaction using 2-Fluoro-FPP supports the sequential mechanism with the carbocation intermediate. {yields} The similar UPPS reaction rate under single turnover supports the concerted mechanism, without the carbocation intermediate. {yields} The secondary kinetic isotope effect also supports associate transition state for UPPS reaction, without the carbocation intermediate. -- Abstract: Undecaprenyl pyrophosphate synthase (UPPS) is a cis-type prenyltransferases which catalyzes condensation reactions of farnesyl diphosphate (FPP) with eight isopentenyl pyrophosphate (IPP) units to generate C{sub 55} product. In this study, we used two analogues of FPP, 2-fluoro-FPP and [1,1-{sup 2}H{sub 2}]FPP, to probe the reaction mechanism of Escherichia coli UPPS. The reaction rate of 2-fluoro-FPP with IPP under single-turnover condition is similar to that of FPP, consistent with the mechanism without forming a farnesyl carbocation intermediate. Moreover, the deuterium secondary KIE of 0.985 {+-} 0.022 measured for UPPS reaction using [1,1-{sup 2}H{sub 2}]FPP supports the associative transition state. Unlike the sequential mechanism used by trans-prenyltransferases, our data demonstrate E. coli UPPS utilizes the concerted mechanism.

  9. Modulus and yield stress of drawn LDPE

    NASA Astrophysics Data System (ADS)

    Thavarungkul, Nandh

    Modulus and yield stress were investigated in drawn low density polyethylene (LDPE) film. Uniaxially drawn polymeric films usually show high values of modulus and yield stress, however, studies have normally only been conducted to identify the structural features that determine modulus. In this study small-angle x-ray scattering (SAXS), thermal shrinkage, birefringence, differential scanning calorimetry (DSC), and dynamic mechanical thermal analysis (DMTA) were used to examine, directly and indirectly, the structural features that determine both modulus and yield stress, which are often closely related in undrawn materials. Shish-kebab structures are proposed to account for the mechanical properties in drawn LDPE. The validity of this molecular/morphological model was tested using relationships between static mechanical data and structural and physical parameters. In addition, dynamic mechanical results are also in line with static data in supporting the model. In the machine direction (MD), "shish" and taut tie molecules (TTM) anchored in the crystalline phase account for E; whereas crystal lamellae with contributions from "shish" and TTM determine yield stress. In the transverse direction (TD), the crystalline phase plays an important roll in both modulus and yield stress. Modulus is determined by crystal lamellae functioning as platelet reinforcing elements in the amorphous matrix with an additional contributions from TTM and yield stress is determined by the crystal lamellae's resistance to deformation.

  10. Water limits to closing yield gaps

    NASA Astrophysics Data System (ADS)

    Davis, Kyle Frankel; Rulli, Maria Cristina; Garrassino, Francesco; Chiarelli, Davide; Seveso, Antonio; D'Odorico, Paolo

    2017-01-01

    Agricultural intensification is often seen as a suitable approach to meet the growing demand for agricultural products and improve food security. It typically entails the use of fertilizers, new cultivars, irrigation, and other modern technology. In regions of the world affected by seasonal or chronic water scarcity, yield gap closure is strongly dependent on irrigation (blue water). Global yield gap assessments have often ignored whether the water required to close the yield gap is locally available. Here we perform a gridded global analysis (10 km resolution) of the blue water consumption that is needed annually to close the yield gap worldwide and evaluate the associated pressure on renewable freshwater resources. We find that, to close the yield gap, human appropriation of freshwater resources for irrigation would have to increase at least by 146%. Most study countries would experience at least a doubling in blue water requirement, with 71% of the additional blue water being required by only four crops - maize, rice, soybeans, and wheat. Further, in some countries (e.g., Algeria, Morocco, Syria, Tunisia, and Yemen) the total volume of blue water required for yield gap closure would exceed sustainable levels of freshwater consumption (i.e., 40% of total renewable surface and groundwater resources).

  11. Comparison Of Expected Yields For Light Radioactive Beams At SPIRAL-1 And 2

    SciTech Connect

    Saint-Laurent, M.-G.; Pichard, A.; Lhersonneau, G.; Oliveira Santos, F. de; Pellemoine, F.; Delahaye, P.; Fadil, M.; Fraanberg, H.; Leroy, R.; Serani, L.; Alfaurt, P.; Demonchy, C.-E.; Fournier, A.

    2010-04-30

    Light-particles stable high-intensity beams (p, d, {sup 3,4}He...) will be available from the Linac driver accelerator of SPIRAL-2. Yields of neutron-deficient isotopes as well as of neutron-rich isotopes (by means of reactions with secondary neutrons) are compared with those presently available at the SPIRAL-1 facility. We explore, for light beams (Z<16) asked in the 'white book' of SPIRAL-2, the production methods taking into account the in-target yield but also the feasibility of making such beams by the ISOL method (considering reaction, target, thermal and release properties). We discuss some of the tests needed and planned. A comparison with the present and potentially attainable yields at SPIRAL-1 is presented.

  12. Quantum yield for carbon monoxide production in the 248 nm photodissociation of carbonyl sulfide (OCS)

    NASA Technical Reports Server (NTRS)

    Zhao, Z.; Stickel, R. E.; Wine, P. H.

    1995-01-01

    Tunable diode laser absorption spectroscopy has been coupled with excimer laser flash photolysis to measure the quantum yield for CO production from 248 nm photodissociation of carbonyl sulfide (OCS) relative to the well-known quantum yield for CO production from 248 nm photolysis of phosgene (Cl2CO2). The temporal resolution of the experiments was sufficient to distinguish CO formed directly by photodissociation from that formed by subsequent S((sup 3)P(sub J)) reaction with OCS. Under the experimental conditions employed, CO formation via the fast S((sup 1)D(sub 2)) + OCS reaction was minimal. Measurements at 297K and total pressures from 4 to 100 Torr N2 + N2O show the CO yield to be greater than 0.95 and most likely unity. This result suggests that the contribution of OCS as a precursor to the lower stratospheric sulfate aerosol layer is somewhat larger than previously thought.

  13. In vitro metabolic engineering of hydrogen production at theoretical yield from sucrose.

    PubMed

    Myung, Suwan; Rollin, Joseph; You, Chun; Sun, Fangfang; Chandrayan, Sanjeev; Adams, Michael W W; Zhang, Y-H Percival

    2014-07-01

    Hydrogen is one of the most important industrial chemicals and will be arguably the best fuel in the future. Hydrogen production from less costly renewable sugars can provide affordable hydrogen, decrease reliance on fossil fuels, and achieve nearly zero net greenhouse gas emissions, but current chemical and biological means suffer from low hydrogen yields and/or severe reaction conditions. An in vitro synthetic enzymatic pathway comprised of 15 enzymes was designed to split water powered by sucrose to hydrogen. Hydrogen and carbon dioxide were spontaneously generated from sucrose or glucose and water mediated by enzyme cocktails containing up to 15 enzymes under mild reaction conditions (i.e. 37°C and atm). In a batch reaction, the hydrogen yield was 23.2mol of dihydrogen per mole of sucrose, i.e., 96.7% of the theoretical yield (i.e., 12 dihydrogen per hexose). In a fed-batch reaction, increasing substrate concentration led to 3.3-fold enhancement in reaction rate to 9.74mmol of H2/L/h. These proof-of-concept results suggest that catabolic water splitting powered by sugars catalyzed by enzyme cocktails could be an appealing green hydrogen production approach.

  14. Oxidation of dithiocarbamates to yield N-nitrosamines by water disinfection oxidants.

    PubMed

    Padhye, Lokesh P; Kim, Jae-Hong; Huang, Ching-Hua

    2013-02-01

    Two most commonly used dithiocarbamate (DTC) pesticides, dimethyldithiocarbamate (DMDTC) and diethyldithiocarbamate (DEDTC), were examined in this study to evaluate their potential to form nitrosamines when in contact with various water disinfection oxidants. Results show that DTCs can serve as nitrosamine precursors, by release of secondary amines through hydrolysis or through reactions with oxidants. The reactions of DTCs with monochloramine and ozone were found to be particularly problematic in the risk of generating nitrosamines, though all four tested oxidants, including free chlorine and chlorine dioxide, formed nitrosamines. NDEA yield from DEDTC was lower, by different degrees, than NDMA yield from DMDTC for all four oxidants, which was attributed to the steric hindrance associated with bulkier reaction intermediate that are more difficult to be further oxidized to form nitrosamine. The yield of nitrosamines increased with the oxidant dosage for both monochloramination and ozonation of DTCs. Results for nitrosamine formation from DTCs at varying pH were found to be consistent with the pH trend of nitrosamine formation from ozonation and monochloramination of secondary amines. Kinetic study results and identification and quantification of reaction products suggest that the DTCs were not significant direct precursors of nitrosamines during monochloramination or ozonation, but rather nitrosamines formed were primarily from reaction of oxidants with the amine which may be generated either through hydrolysis or through oxidation of DTCs.

  15. Low-energy {omega} ({yields}{pi}{sup 0}{gamma}) meson photoproduction in the nucleus

    SciTech Connect

    Das, Swapan

    2011-06-15

    The {pi}{sup 0{gamma}} invariant mass distribution spectra in the ({gamma},{pi}{sup 0{gamma}}) reaction were measured by the TAPS/ELSA Collaboration to look for the hadron parameters of the {omega} meson in the Nb nucleus. We study the mechanism for this reaction, where we consider that the elementary reaction in the Nb nucleus proceeds as {gamma}N{yields}{omega}N;{omega}{yields}{pi}{sup 0}{gamma}. The {omega}-meson photoproduction amplitude for this reaction is extracted from the measured four-momentum transfer distribution in the {gamma}p{yields}{omega}p reaction. The propagation of the {omega} meson and the distorted wave function for the {pi}{sup 0} meson in the final state are described by the eikonal form. The {omega} and {pi}{sup 0} mesons' nucleus optical potentials, appearing in the {omega} meson propagator and {pi}{sup 0} meson distorted wave function respectively, are estimated using the t{rho} approximation. The effects of pair correlation and color transparency are also studied. The calculated results do not show medium modification for the {omega} meson produced in the nucleus for momentum greater than 200 MeV. It occurs because the {omega} meson predominantly decays outside the nucleus. The dependence of the cross section on the final-state interaction is also investigated. The broadening of the {omega}-meson mass distribution spectra is shown to occur due to the large resolution width associated with the detector used in the experiment.

  16. Enhancing chemical reactions

    DOEpatents

    Morrey, John R.

    1978-01-01

    Methods of enhancing selected chemical reactions. The population of a selected high vibrational energy state of a reactant molecule is increased substantially above its population at thermal equilibrium by directing onto the molecule a beam of radiant energy from a laser having a combination of frequency and intensity selected to pump the selected energy state, and the reaction is carried out with the temperature, pressure, and concentrations of reactants maintained at a combination of values selected to optimize the reaction in preference to thermal degradation by transforming the absorbed energy into translational motion. The reaction temperature is selected to optimize the reaction. Typically a laser and a frequency doubler emit radiant energy at frequencies of .nu. and 2.nu. into an optical dye within an optical cavity capable of being tuned to a wanted frequency .delta. or a parametric oscillator comprising a non-centrosymmetric crystal having two indices of refraction, to emit radiant energy at the frequencies of .nu., 2.nu., and .delta. (and, with a parametric oscillator, also at 2.nu.-.delta.). Each unwanted frequency is filtered out, and each desired frequency is focused to the desired radiation flux within a reaction chamber and is reflected repeatedly through the chamber while reactants are fed into the chamber and reaction products are removed therefrom.

  17. Algorithm for reaction classification.

    PubMed

    Kraut, Hans; Eiblmaier, Josef; Grethe, Guenter; Löw, Peter; Matuszczyk, Heinz; Saller, Heinz

    2013-11-25

    Reaction classification has important applications, and many approaches to classification have been applied. Our own algorithm tests all maximum common substructures (MCS) between all reactant and product molecules in order to find an atom mapping containing the minimum chemical distance (MCD). Recent publications have concluded that new MCS algorithms need to be compared with existing methods in a reproducible environment, preferably on a generalized test set, yet the number of test sets available is small, and they are not truly representative of the range of reactions that occur in real reaction databases. We have designed a challenging test set of reactions and are making it publicly available and usable with InfoChem's software or other classification algorithms. We supply a representative set of example reactions, grouped into different levels of difficulty, from a large number of reaction databases that chemists actually encounter in practice, in order to demonstrate the basic requirements for a mapping algorithm to detect the reaction centers in a consistent way. We invite the scientific community to contribute to the future extension and improvement of this data set, to achieve the goal of a common standard.

  18. Modeling of surface reactions

    SciTech Connect

    Ray, T.R.

    1993-01-01

    Mathematical models are used to elucidate properties of the monomer-monomer and monomer-dimer type chemical reactions on a two-dimensional surface. The authors use mean-field and lattice gas models, detailing similarities and differences due to correlations in the lattice gas model. The monomer-monomer, or AB surface reaction model, with no diffusion, is investigated for various reaction rates k. Study of the exact rate equations reveals that poisoning always occurs if the adsorption rates of the reactants are unequal. If the adsorption rates of the reactants are equal, simulations show slow poisoning, associated with clustering of reactants. This behavior is also shown for the two-dimensional voter model. The authors analyze precisely the slow poisoning kinetics by an analytic treatment for the AB reaction with infinitesimal reaction rate, and by direct comparison with the voter model. They extend the results to incorporate the effects of place-exchange diffusion, and they compare the AB reaction with infinitesimal reaction rate and no diffusion to the voter model with diffusion at rate 1/2. They also consider the relationship of the voter model to the monomer-dimer model, and investigate the latter model for small reaction rates. The monomer-dimer, or AB[sub 2] surface reaction model is also investigated. Specifically, they consider the ZGB-model for CO-oxidation, and in generalizations of this model which include adspecies diffusion. A theory of nucleation to describe properties of non-equilibrium first-order transitions, specifically the evolution between [open quote]reactive[close quote] steady states and trivial adsorbing states, is derived. The behavior of the [open quote]epidemic[close quote] survival probability, P[sub s], for a non-poisoned patch surrounded by a poisoned background is determined below the poisoning transition.

  19. Inclusive Sigma- photoproduction on the neutron via the reaction gamma n (p) ---> K+ Sigma- (p)

    SciTech Connect

    Jorn Langheinrich; Ana Lima; Barry Berman

    2006-06-01

    The analysis described here is part of a comprehensive survey of the elementary strangeness photoproduction cross sections on the nucleon. The six elementary strangeness reactions are {gamma}n {yields} K{sup 0}{Lambda} and {gamma}p {yields} K{sup +}{Lambda} {gamma}n {yields} K{sup 0}{Sigma}{sup 0} and {gamma}p {yields} K{sup +}{Sigma}{sup 0} {gamma}n {yields} K{sup +}{Sigma}{sup -} and {gamma}p {yields} K{sup 0}{Sigma}|{sup +}

  20. Reaction dynamics and photochemistry of divalent systems

    SciTech Connect

    Davis, H.F.

    1992-05-01

    Results are presented of molecular beam studies of bimolecular and unimolecular reactions of Ba. Chapter 1 discusses the reaction Ba + NO{sub 2}. Formation of the dominant BaO({sup 1}{Sigma}) + NO products resulted primarily from decay of long-lived Ba{sup +}NO{sub 2}{sup {minus}} collision complexes. Secondary mechanisms led to formation of forward scattered, internally excited BaO, and BaNO + O. D{sub o}(Ba-NO) = 65{plus_minus}20 kcal/mol. Reactions of ground state and electronically excited Ba with water and alcohols are examined in Chapter 2. Reaction of Ba({sup 1}S) + H{sup 2}O led to BaO + H{sub 2}, whereas excited state Ba({sup 1}D) + H{sub 2}O reacted to form BaOH + H. Collisions between Ba and CH{sub 3}OH led to BaOCH{sub 3} + H. Radical channels involve H-atom migration and are promoted by excitation of the incident Ba atom. In Chapter 3, reactions of Ba({sup 1}S) with ClO{sub 2}2 and O{sub 3} are discussed. Again, direct and complex mechanisms were observed. Formation of BaCl + O{sub 2} from decomposition of Ba{sup +}ClO{sub 2}{sup {minus}} accounted for 10% of total reaction crass section. Although Ba + O{sub 3} {yields} BaO + 0{sub 2} occurs primarily by direct reaction mechanisms, the secondary channel Ba + 0{sub 3} {yields} BaO{sub 2} + 0 involved decay of long lived Ba{sup +}O{sub 3}{sup {minus}} intermediates. D{sub o}(Ba{minus}O{sub 2}) = 120 {plus_minus}20 kcal/mol. Photodissociation dynamics of NO{sub 3} is explored in chapter 4. Visible excitation leads to formation of NO + 0{sub 2} and NO{sub 2} + O. Wavelength dependence of branching ratios is investigated. D{sub o}(O-NO{sub 2}) = 48.55 kcal/mole ;and calculate {Delta}H{sub f}(NO{sub 3}) = 17.75 kcal/mole (298K). Chapter 5 discusses the photodissociation of OClO in a molecular beam. Although ClO({sup 2}II) + O({sup 3}P) is dominant, Cl({sup 2}P) + O{sub 2} also forms, with a max yield of 3.9{plus_minus}0.8% near 404nm.

  1. Cycloaddition reactions of ICNO

    NASA Astrophysics Data System (ADS)

    Pasinszki, Tibor; Krebsz, Melinda; Hajgató, Balázs

    2009-05-01

    The mechanism and selectivity of cycloaddition reactions of iodonitrile oxide, ICNO, have been studied with theoretical methods for the first time using MR-AQCC coupled-cluster and B3LYP DFT methods. Calculations have predicted that the favoured ICNO dimerisation process is a multi-step reaction to diiodofuroxan involving dinitrosoethylene-like intermediates. The ICNO cycloaddition with nitriles and ethynyl derivatives is a synchronous process favouring the formation of 1,2,4-oxadiazole and 1,2-oxazole derivatives, respectively. The cycloaddition reactions of ICNO have been studied experimentally by generating ICNO from AgCNO and iodine. Diiodofuroxan is obtained, however, even at the presence of nitriles.

  2. NEUTRONIC REACTION SYSTEM

    DOEpatents

    Wigner, E.P.

    1963-09-01

    A nuclear reactor system is described for breeding fissionable material, including a heat-exchange tank, a high- and a low-pressure chamber therein, heat- exchange tubes connecting these chambers, a solution of U/sup 233/ in heavy water in a reaction container within the tank, a slurry of thorium dioxide in heavy water in a second container surrounding the first container, an inlet conduit including a pump connecting the low pressure chamber to the reaction container, an outlet conduit connecting the high pressure chamber to the reaction container, and means of removing gaseous fission products released in both chambers. (AEC)

  3. Enantioselective Dearomative [3+2] Cycloaddition Reactions of Benzothiazoles.

    PubMed

    Wang, Dong-Chao; Xie, Ming-Sheng; Guo, Hai-Ming; Qu, Gui-Rong; Zhang, Meng-Cheng; You, Shu-Li

    2016-11-02

    A highly enantioselective dearomative [3+2] cycloaddition of benzothiazole has been successfully developed. A wide range of benzothiazoles and cyclopropane-1,1-dicarboxylates are suitable substrates for this reaction. The desired hydropyrrolo[2,1-b]thiazole compounds were obtained in excellent enantioselectivity and yields (up to 97 % ee and 97 % yield). With the same catalytic system, a highly efficient kinetic resolution of 2-substituted cyclopropane-1,1-dicarboxylates was also realized.

  4. Ultrasound effect on Suzuki reactions. 1. Synthesis of unsymmetrical biaryls.

    PubMed

    Polácková, Viera; Hut'ka, Martin; Toma, Stefan

    2005-01-01

    Ultrasound effect on the Pd(0) catalysed reaction of arylboronic acid with halobenzenes was investigated. The effect of catalyst, base as well as solvent was tested. Heterogenous reaction of iodoarenes with different arylboronic acids, catalysed by Pd/C and KF as the base in methanol:water mixture resulted in good yields of cross-coupling products. Reaction time of sonochemical reaction was 1 h, while 4 h of reflux was necessary to achieve comparable results. Bromobenzenes gave best results using aqueous solution of PdCl2 as the catalyst, potassium carbonate as the base in toluene:water two phase system using TEBA (benzyltriethylammonium chloride) as PT catalyst. Chlorobenzenes gave just feeble yields of cross-coupling products.

  5. Fundamental studies of retrograde reactions in direct liquefaction

    SciTech Connect

    Serio, M.A.; Solomon, P.R.; Bassilakis, R.; Kroo, E.

    1989-01-01

    Most of the proposed processing schemes for improving liquefaction yields involve favoring bond-breaking and radical stabilization reactions over the retrograde reactions. The retrograde reactions are often encountered before liquefaction temperatures are reached. The objective of this program is to elucidate and model the retrograde reaction chemistry in direct coal liquefaction through the application of experimental techniques and theoretical models which have been successfully employed at Advanced Fuel Research (AFR) and SRI International (a subcontractor) to understand and predict coal reaction behavior. The study of retrograde reactions is being done using an integrated approach using extensive characterization of the liquefaction chemistry of three kinds of systems: (1) model polymers; (2) coal; and (3) modified coals.

  6. Reactions of buffers in cyanogen bromide-induced ligations.

    PubMed

    Vogel, Heike; Gerlach, Claudia; Richert, Clemens

    2013-01-01

    Rapid, template-directed ligation reactions between a phosphate-terminated oligonucleotide and an unphosphorylated reaction partner may be induced by cyanogen bromide (BrCN). Frequently, however, the reaction is low yielding, and even a large excess of the condensing agent can fail to induce quantitative conversions. In this study, we used BrCN to induce chemical primer extension reactions. Here, we report that buffers containing hydroxyl groups react with short oligodeoxynucleotides in the presence of BrCN. One stable adduct between HEPBS buffer and cytosine was characterized by mass spectrometry and NMR after HPLC purification, indicating that a side reaction occurred at this nucleobase. Further, a first example of a primer extension reaction between an unmodified oligodeoxynucleotide as primer and dGMP is reported. Together, our results shed light on the potency, as well as the drawbacks of BrCN as a highly reactive condensing reagent for the ligation of unmodified nucleic acids.

  7. Enzymatic Ugi Reaction with Amines and Cyclic Imines.

    PubMed

    Żądło-Dobrowolska, Anna; Kłossowski, Szymon; Koszelewski, Dominik; Paprocki, Daniel; Ostaszewski, Ryszard

    2016-11-07

    The application of the Ugi reaction to the construction of new peptide scaffolds is an important goal of organic chemistry. To date, there are no examples of the Ugi reaction being performed with a cyclic imine and amine simultaneously. The application of 2-substituted cyclic imines in an enzymatic three-component Ugi-type reaction provides an elegant and attractive synthesis of substituted pyrrolidine and piperidine derivatives in up to 60 % yield. Results on studies of the selection of an enzyme, amount of water, and solvent used in a novel three-component Ugi reaction and the limitations thereof are reported herein. The presented methodology exploiting enzyme promiscuity in the multicomponent reaction fulfills the requirements associated with green chemistry. Several methods, such as isotope labeling and enzyme inhibition, were used to probe the possible mechanism of this complex synthesis. This research is the first example of an enzyme-catalyzed Ugi-type reaction with an imine, amine, and isocyanide.

  8. Role of Yield Stress in Magma Rheology

    NASA Astrophysics Data System (ADS)

    Kurokawa, A.; Di Giuseppe, E.; Davaille, A.; Kurita, K.

    2012-04-01

    Magmas are essentially multiphase material composed of solid crystals, gaseous bubbles and silicate liquids. They exhibit various types of drastic change in rheology with variation of mutual volumetric fractions of the components. The nature of this variable rheology is a key factor in controlling dynamics of flowing magma through a conduit. Particularly the existence of yield stress in flowing magma is expected to control the wall friction and formation of density waves. As the volumetric fraction of solid phase increases yield stress emerges above the critical fraction. Several previous studies have been conducted to clarify this critical value of magmatic fluid both in numerical simulations and laboratory experiments ([Lejeune and Pascal, 1995], [Saar and Manga 2001], [Ishibashi and Sato 2010]). The obtained values range from 13.3 to 40 vol%, which display wide variation and associated change in rheology has not been clarified well. In this presentation we report physical mechanism of emergence of yield stress in suspension as well as the associated change in the rheology based on laboratory experiments using analog material. We utilized thermogel aqueous suspension as an analog material of multiphase magma. Thermogel, which is a commercial name for poly(N-isopropyl acrylamide) (PNIPAM) undergoes volumetric phase change at the temperature around 35C:below this temperature the gel phase absorbs water and swells while below this it expels water and its volume shrinks. Because of this the volumetric fraction of gel phase systematically changes with temperature and the concentration of gel powder. The viscosity measured at lower stress drastically decreases across this phase change with increasing temperature while the viscosity at higher stress does not exhibit large change across the transition. We have performed a series of rheological measurements focusing on the emergence of yield stress on this aqueous suspension. Since the definition of yield stress is not

  9. Odd-even staggering in yields of neutron-deficient nuclei produced by projectile fragmentation

    NASA Astrophysics Data System (ADS)

    Mei, B.; Xu, H. S.; Zhang, Y. H.; Wang, M.; Tu, X. L.; Schmidt, K.-H.; Litvinov, Yu. A.; Sun, Z. Y.; Zhou, X. H.; Yuan, Y. J.; Blaum, K.; Ricciardi, M. V.; Kelić-Heil, A.; Mao, R. S.; Hu, Z. G.; Shuai, P.; Zang, Y. D.; Ma, X. W.; Zhang, X. Y.; Xia, J. W.; Xiao, G. Q.; Guo, Z. Y.; Yang, J. C.; Zhang, X. H.; Xu, X.; Yan, X. L.; Zhang, W.; Zhan, W. L.

    2016-10-01

    Background: Fragment yields exhibit a strong odd-even staggering (OES). This OES has been experimentally observed in different fragmentation reactions with different projectile-target combinations. However, the experimental data are still scarce for fragments close to drip lines and the origin of this OES is not well understood. Purpose: More experimental data are needed to explore the origin of this OES in fragment yields and to validate fragmentation reaction models, especially for nuclei close to the drip lines. To study the pronounced OES near the proton drip line, we measured the yields of Tz=-1 and Tz=-3 /2 nuclei over a wide range of mass number. Methods: The combination of a fragment separator and a storage ring at the Heavy Ion Research Facility in Lanzhou has been used to measure the yields of Tz=-1 and Tz=-3 /2 fragments, produced by 58Ni projectiles impinging on a beryllium target at an energy of about 463 MeV/nucleon. Results: A very strong OES is observed in the measured yields of both Tz=-1 and Tz=-3 /2 fragments. Our experimental data demonstrate that the shell structure has a significant impact on the magnitude of this OES. A comparison of different fragmentation reaction data indicates that this OES is almost independent of the projectile-target combinations and the fragmentation energy between 140 and 650 MeV/nucleon. Conclusions: Our study reveals that the OES of fragment yields originates mainly from the OES of particle-emission threshold energies, which is very close to the OES of fragment yields when the Coulomb barrier is considered in particle-emission threshold energies.

  10. Defect reduction methodologies: pellicle yield improvement

    NASA Astrophysics Data System (ADS)

    Daugherty, Susan V.

    1993-03-01

    The pelliclization process at Intel during the first half of 1991 was not in control. Weekly process yield was trending downward, and the range of the weekly yield during that time frame was greater than 40%. A focused effort in process yield improvement, that started in the second half of 1991 and continued through 1992, brought process yield up an average of 20%, and reduced the range of the process yield to 20 - 25%. This paper discusses the continuous process improvement guidelines that are being followed to reduce variations/defects in the pelliclization process. Teamwork tools, such as Pareto charts, fishbone diagrams, and simple experiments, prioritize efforts and help find the root cause of the defects. Best known methods (BKM), monitors, PMs, and excursion control aid in the elimination and prevention of defects. Monitoring progress and repeating the whole procedure are the final two guidelines. The benefits from the use of the continuous process improvement guidelines and tools can be seen in examples of the actions, impacts, and results for the last half of 1991 and the first half of 1992.

  11. Regional crop yield forecasting: a probabilistic approach

    NASA Astrophysics Data System (ADS)

    de Wit, A.; van Diepen, K.; Boogaard, H.

    2009-04-01

    Information on the outlook on yield and production of crops over large regions is essential for government services dealing with import and export of food crops, for agencies with a role in food relief, for international organizations with a mandate in monitoring the world food production and trade, and for commodity traders. Process-based mechanistic crop models are an important tool for providing such information, because they can integrate the effect of crop management, weather and soil on crop growth. When properly integrated in a yield forecasting system, the aggregated model output can be used to predict crop yield and production at regional, national and continental scales. Nevertheless, given the scales at which these models operate, the results are subject to large uncertainties due to poorly known weather conditions and crop management. Current yield forecasting systems are generally deterministic in nature and provide no information about the uncertainty bounds on their output. To improve on this situation we present an ensemble-based approach where uncertainty bounds can be derived from the dispersion of results in the ensemble. The probabilistic information provided by this ensemble-based system can be used to quantify uncertainties (risk) on regional crop yield forecasts and can therefore be an important support to quantitative risk analysis in a decision making process.

  12. Bad Reaction to Cosmetics?

    MedlinePlus

    ... Devices Radiation-Emitting Products Vaccines, Blood & Biologics Animal & Veterinary Cosmetics Tobacco Products For Consumers Home For Consumers ... Reactions From Cosmetics More in Consumer Updates Animal & Veterinary Children's Health Cosmetics Dietary Supplements Drugs Food Medical ...

  13. Reactor for exothermic reactions

    DOEpatents

    Smith, Jr., Lawrence A.; Hearn, Dennis; Jones, Jr., Edward M.

    1993-01-01

    A liquid phase process for oligomerization of C.sub.4 and C.sub.5 isoolefins or the etherification thereof with C.sub.1 to C.sub.6 alcohols wherein the reactants are contacted in a reactor with a fixed bed acid cation exchange resin catalyst at an LHSV of 5 to 20, pressure of 0 to 400 psig and temperature of 120.degree. to 300.degree. F. Wherein the improvement is the operation of the reactor at a pressure to maintain the reaction mixture at its boiling point whereby at least a portion but less than all of the reaction mixture is vaporized. By operating at the boiling point and allowing a portion of the reaction mixture to vaporize, the exothermic heat of reaction is dissipated by the formation of more boil up and the temperature in the reactor is controlled.

  14. Untoward penicillin reactions

    PubMed Central

    Guthe, T.; Idsöe, O.; Willcox, R. R.

    1958-01-01

    The literature on untoward reactions following the administration of penicillin is reviewed. These reactions, including a certain number of deaths which have been reported, are of particular interest to health administrations and to WHO in view of the large-scale programmes for controlling the treponematoses which are now under way—programmes affecting millions of people in many parts of the world. The most serious problems are anaphylactic sensitivity phenomena and superinfection or cross-infection with penicillin-resistant organisms, and the reactions involved range in intensity from the mildest to the fatal; the incidence of the latter is estimated at 0.1-0.3 per million injections. The authors point out that with increasing use of penicillin, more persons are likely to become sensitized and the number of reactions can therefore be expected to rise. The best prevention against such an increase is the restriction of the unnecessary use of penicillin. PMID:13596877

  15. Translated chemical reaction networks.

    PubMed

    Johnston, Matthew D

    2014-05-01

    Many biochemical and industrial applications involve complicated networks of simultaneously occurring chemical reactions. Under the assumption of mass action kinetics, the dynamics of these chemical reaction networks are governed by systems of polynomial ordinary differential equations. The steady states of these mass action systems have been analyzed via a variety of techniques, including stoichiometric network analysis, deficiency theory, and algebraic techniques (e.g., Gröbner bases). In this paper, we present a novel method for characterizing the steady states of mass action systems. Our method explicitly links a network's capacity to permit a particular class of steady states, called toric steady states, to topological properties of a generalized network called a translated chemical reaction network. These networks share their reaction vectors with their source network but are permitted to have different complex stoichiometries and different network topologies. We apply the results to examples drawn from the biochemical literature.

  16. Common Reactions After Trauma

    MedlinePlus

    ... Loss of intimacy or feeling detached Recovery from stress reactions Turn to your family and friends when ... someone is thinking about killing themselves, call the Suicide Prevention Lifeline 1-800-273-TALK (8255) http:// ...

  17. Reaction wheel assembly

    NASA Technical Reports Server (NTRS)

    1976-01-01

    The fabrication and testing of three reaction wheels with associated drive and system monitoring electronics and brushless dc spin motors are discussed; the wheels are intended for use in a teleoperator simulator. Test results are included as graphs.

  18. Reactor for exothermic reactions

    DOEpatents

    Smith, L.A. Jr.; Hearn, D.; Jones, E.M. Jr.

    1993-03-02

    A liquid phase process is described for oligomerization of C[sub 4] and C[sub 5] isoolefins or the etherification thereof with C[sub 1] to C[sub 6] alcohols wherein the reactants are contacted in a reactor with a fixed bed acid cation exchange resin catalyst at an LHSV of 5 to 20, pressure of 0 to 400 psig and temperature of 120 to 300 F. Wherein the improvement is the operation of the reactor at a pressure to maintain the reaction mixture at its boiling point whereby at least a portion but less than all of the reaction mixture is vaporized. By operating at the boiling point and allowing a portion of the reaction mixture to vaporize, the exothermic heat of reaction is dissipated by the formation of more boil up and the temperature in the reactor is controlled.

  19. Oral Hypersensitivity Reactions

    MedlinePlus

    ... often flavored with agents like cinnamon, peppermint or menthol, which can trigger hypersensitivity reactions in susceptible individuals. ... potential allergens such as cinnamon, peppermint, eugenol and menthol. Even dental floss and denture cleansers may contain ...

  20. Iodine Clock Reaction.

    ERIC Educational Resources Information Center

    Mitchell, Richard S.

    1996-01-01

    Describes a combination of solutions that can be used in the study of kinetics using the iodine clock reaction. The combination slows down degradation of the prepared solutions and can be used successfully for several weeks. (JRH)

  1. Response reactions: equilibrium coupling.

    PubMed

    Hoffmann, Eufrozina A; Nagypal, Istvan

    2006-06-01

    It is pointed out and illustrated in the present paper that if a homogeneous multiple equilibrium system containing k components and q species is composed of the reactants actually taken and their reactions contain only k + 1 species, then we have a unique representation with (q - k) stoichiometrically independent reactions (SIRs). We define these as coupling reactions. All the other possible combinations with k + 1 species are the coupled reactions that are in equilibrium when the (q - k) SIRs are in equilibrium. The response of the equilibrium state for perturbation is determined by the coupling and coupled equilibria. Depending on the circumstances and the actual thermodynamic data, the effect of coupled equilibria may overtake the effect of the coupling ones, leading to phenomena that are in apparent contradiction with Le Chatelier's principle.

  2. Skin Reactions to Cold

    PubMed Central

    Talpash, Orest

    1976-01-01

    Although skin reactions to cold are seen surprisingly infrequently in Canada, it is important to manage them correctly when they do occur. Frostbite, cold urticarias, Raynaud's disease and phenomenon, and several miscellaneous changes are discussed. PMID:21308019

  3. Chemisorption And Precipitation Reactions

    EPA Science Inventory

    The transport and bioavailability of chemical components within soils is, in part, controlled by partitioning between solids and solution. General terms used to describe these partitioning reactions include chemisorption and precipitation. Chemisorption is inclusive of the suit...

  4. An Illuminating Reaction.

    ERIC Educational Resources Information Center

    Matthews, Catherine E.

    1996-01-01

    Describes the use of carbide lights as an excellent mechanism for introducing or reviewing many basic chemistry concepts including elements and compounds, endothermic and exothermic reactions, physical and chemical changes, and balancing chemical equations. (JRH)

  5. Detection of singlet oxygen yield from new photosensitizers using luminol

    NASA Astrophysics Data System (ADS)

    Sakai, Harumasa; Oppelaar, Hugo; Baas, Paul; Van Zandwijk, Nico; Stewart, Fiona A.

    1995-03-01

    For the application of photodynamic therapy and diagnosis many different photosensitizers have been developed. It is important to compare these photosensitizers for their activity. It is generally accepted that the most important mechanism of cell killing is via the production of singlet oxygen. We therefore performed basic studies to detect singlet oxygen using a luminol reaction. The relative singlet oxygen yields from 4 photosensitizers (Photofrin, ATX-S10, mTHPC and NPe6) were measured by the detection of luminol chemiluminescence at 445 nm wavelength in Menzel's buffer solution at pH 10.5. NPe6, ATX-S10 and mTHPC all showed singlet oxygen productive abilities. These photosensitizers are new promising photosensitizers. These results show a possibility of comparison of each photosensitizer.

  6. [Occurrence of drug reactions].

    PubMed

    Pastorello, E; Qualizza, R M; Luraghi, M T; Ispano, M; Villa, A M; Ortolani, C; Zanussi, C

    1986-01-01

    The aim of this prospective study was to evaluate the incidence of allergic reactions to drugs compared to other kinds of medical emergencies admitted to the main Hospital in Milan during a 6 months period. At the same time we drew a list of drugs most frequently involved in allergic reactions, and a list of the most frequent symptoms. Using special forms, the medical staff collected patients' data: age, history of atopy, identification of the drug causing the reaction, and any previous reactions. Among 11,407 cases of medical emergencies, we found 163 (1.43%) patients showing drug reactions: the mean age was 27.3; 58.90% were female; atopy was present in 16.56%. The drugs most frequently involved were: pyrazon group (22%); ASA (20.86%); penicillin and derivatives (9.20%); sulfa drugs (6.14%); group B vitamins (4.30%); tetanus toxoid (4.30%); hyposensitizing extracts (3.68%); propionic acid derivatives (2.46%); paracetamol (1.84%); indomethacin (1.23%); rifampicin (1.23%); erythromycin (1.23%); glafenine (1.23%); others (17.80%). Urticaria and/or angioedema were the most frequent symptoms (86.51%), then anaphylactic shock (9.81%) and asthma (3.68%) with regard to anaphylactic shock only 6.20% of the patients had had a previous reaction to the same drug. From these data we can see that the incidence of drug reactions is very low compared to other medical emergencies; penicillin evidenced fewer reactions than expected, while the pyrazon group and ASA confirmed the data from literature.

  7. Anaphylactoid reaction to ethanol.

    PubMed

    Kelso, J M; Keating, M U; Squillace, D L; O'Connell, E J; Yunginger, J W; Sachs, M I

    1990-05-01

    We studied a 14-year-old boy who developed a pruritic rash and facial swelling after ingestion of beer or wine. A blinded challenge with purified ethanol was positive demonstrating ethanol itself to be the offending agent. An IgE-mediated reaction to ethanol or one of its metabolites as a hapten is possible, or the reaction may involve unusual metabolism of ethanol with accumulation of acetaldehyde and/or direct mast cell degranulation.

  8. Oxygen evolution reaction catalysis

    DOEpatents

    Haber, Joel A.; Jin, Jian; Xiang, Chengxiang; Gregoire, John M.; Jones, Ryan J.; Guevarra, Dan W.; Shinde, Aniketa A.

    2016-09-06

    An Oxygen Evolution Reaction (OER) catalyst includes a metal oxide that includes oxygen, cerium, and one or more second metals. In some instances, the cerium is 10 to 80 molar % of the metals in the metal oxide and/or the catalyst includes two or more second metals. The OER catalyst can be included in or on an electrode. The electrode can be arranged in an oxygen evolution system such that the Oxygen Evolution Reaction occurs at the electrode.

  9. Production of radioactive nuclides in inverse reaction kinematics

    NASA Astrophysics Data System (ADS)

    Traykov, E.; Rogachevskiy, A.; Bosswell, M.; Dammalapati, U.; Dendooven, P.; Dermois, O. C.; Jungmann, K.; Onderwater, C. J. G.; Sohani, M.; Willmann, L.; Wilschut, H. W.; Young, A. R.

    2007-03-01

    Efficient production of short-lived radioactive isotopes in inverse reaction kinematics is an important technique for various applications. It is particularly relevant when the isotope of interest is only a few nucleons away from a stable isotope. In this article production via charge exchange and stripping reactions in combination with a magnetic separator is explored. The relation between the separator transmission efficiency, the production yield, and the choice of beam energy is discussed. The results of some exploratory experiments will be presented.

  10. Benchmark calculations of thermal reaction rates. I - Quantal scattering theory

    NASA Technical Reports Server (NTRS)

    Chatfield, David C.; Truhlar, Donald G.; Schwenke, David W.

    1991-01-01

    The thermal rate coefficient for the prototype reaction H + H2 yields H2 + H with zero total angular momentum is calculated by summing, averaging, and numerically integrating state-to-state reaction probabilities calculated by time-independent quantum-mechanical scattering theory. The results are very carefully converged with respect to all numerical parameters in order to provide high-precision benchmark results for confirming the accuracy of new methods and testing their efficiency.

  11. Chemical reactions in shear-free turbulence

    NASA Astrophysics Data System (ADS)

    de Bruyn Kops, Stephen M.; Riley, James J.

    2000-11-01

    Understanding and predicting the reaction of chemical species in shear-free turbulence is important in research addressing natural as well as technological problems. In the configuration considered here, two initially separated species mix and react downstream of a turbulence-generating grid in a wind tunnel. Results are reported from high resolution, direct numerical simulations in which the evolution of the conserved scalar field accurately matches that of the temperature field in existing laboratory experiments. Superimposed on the flow are passive, single-step, temperature-dependent reactions with a wide range of activation energies and stoichiometric ratios. Several aspects of the flow are investigated here with the conclusions that (1) reactions in which r ne 1 are more accurately modeled by frozen and equilibrium chemistry limits than are reactions in which r=1; (2) an existing definition of a reduced Damköhler number that includes temperature and stoichiometry effects is a very good measure of reaction rate; and (3) existing theoretical models for the coherence and phase of fuel-oxidizer cross-spectra and the spectrum of the equilibrium fuel mass fraction when r=1 yield accurate predictions. (Supported by NSF and AFOSR.)

  12. Chemical reactions confined within carbon nanotubes.

    PubMed

    Miners, Scott A; Rance, Graham A; Khlobystov, Andrei N

    2016-08-22

    In this critical review, we survey the wide range of chemical reactions that have been confined within carbon nanotubes, particularly emphasising how the pairwise interactions between the catalysts, reactants, transition states and products of a particular molecular transformation with the host nanotube can be used to control the yields and distributions of products of chemical reactions. We demonstrate that nanoscale confinement within carbon nanotubes enables the control of catalyst activity, morphology and stability, influences the local concentration of reactants and products thus affecting equilibria, rates and selectivity, pre-arranges the reactants for desired reactions and alters the relative stability of isomeric products. We critically evaluate the relative advantages and disadvantages of the confinement of chemical reactions inside carbon nanotubes from a chemical perspective and describe how further developments in the controlled synthesis of carbon nanotubes and the incorporation of multifunctionality are essential for the development of this ever-expanding field, ultimately leading to the effective control of the pathways of chemical reactions through the rational design of multi-functional carbon nanoreactors.

  13. Climate risks on potato yield in Europe

    NASA Astrophysics Data System (ADS)

    Sun, Xun; Lall, Upmanu

    2016-04-01

    The yield of potatoes is affected by water and temperature during the growing season. We study the impact of a suite of climate variables on potato yield at country level. More than ten climate variables related to the growth of potato are considered, including the seasonal rainfall and temperature, but also extreme conditions at different averaging periods from daily to monthly. A Bayesian hierarchical model is developed to jointly consider the risk of heat stress, cold stress, wet and drought. Future climate risks are investigated through the projection of future climate data. This study contributes to assess the risks of present and future climate risks on potatoes yield, especially the risks of extreme events, which could be used to guide better sourcing strategy and ensure food security in the future.

  14. Fission yield studies at the IGISOL facility

    NASA Astrophysics Data System (ADS)

    Penttilä, H.; Elomaa, V.-V.; Eronen, T.; Hakala, J.; Jokinen, A.; Kankainen, A.; Moore, I. D.; Rahaman, S.; Rinta-Antila, S.; Rissanen, J.; Rubchenya, V.; Saastamoinen, A.; Weber, C.; Äystö, J.

    2012-04-01

    Low-energy-particle-induced fission is a cost-effective way to produce neutron-rich nuclei for spectroscopic studies. Fission has been utilized at the IGISOL to produce isotopes for decay and nuclear structure studies, collinear laser spectroscopy and precision mass measurements. The ion guide technique is also very suitable for the fission yield measurements, which can be performed very efficiently by using the Penning trap for fission fragment identification and counting. The proton- and neutron-induced fission yield measurements at the IGISOL are reviewed, and the independent isotopic yields of Zn, Ga, Rb, Sr, Cd and In in 25MeV deuterium-induced fission are presented for the first time. Moving to a new location next to the high intensity MCC30/15 light-ion cyclotron will allow also the use of the neutron-induced fission to produce the neutron rich nuclei at the IGISOL in the future.

  15. Evaluation of trends in wheat yield models

    NASA Technical Reports Server (NTRS)

    Ferguson, M. C.

    1982-01-01

    Trend terms in models for wheat yield in the U.S. Great Plains for the years 1932 to 1976 are evaluated. The subset of meteorological variables yielding the largest adjusted R(2) is selected using the method of leaps and bounds. Latent root regression is used to eliminate multicollinearities, and generalized ridge regression is used to introduce bias to provide stability in the data matrix. The regression model used provides for two trends in each of two models: a dependent model in which the trend line is piece-wise continuous, and an independent model in which the trend line is discontinuous at the year of the slope change. It was found that the trend lines best describing the wheat yields consisted of combinations of increasing, decreasing, and constant trend: four combinations for the dependent model and seven for the independent model.

  16. Alternative to peat for Agaricus brasiliensis yield.

    PubMed

    Colauto, Nelson Barros; da Silveira, Adriano Reis; da Eira, Augusto Ferreira; Linde, Giani Andrea

    2010-01-01

    Casing layer is one of the most important components of Agaricus spp. production and it directly affects mushroom productivity, size and mass. The aim of this study was to evaluate potential raw materials as a casing layer and their effect on Agaricus brasiliensis productivity. Raw materials from Brazil with potential use were selected and characterized, and the most promising ones were tested as casing layers for mushroom yield. Evaluated raw materials included lime schist, vermiculite, eucalyptus sawdust, sand, São Paulo peat, Santa Catarina peat, subsoil and charcoal. Particle size, porosity and water absorption in relation to mushroom yield for casing layers were determined. Lime schist, an alternate casing layer to peat, is presented and the effects of the casing layer on the mushroom yield are discussed.

  17. Yielding and flow of colloidal glasses.

    PubMed

    Petekidis, Georgios; Vlassopoulos, Dimitris; Pusey, Peter N

    2003-01-01

    We investigate the yielding and flow of hard-sphere colloidal glasses by combining rheological measurements with the technique of light scattering echo. The polymethylmethacrylate particles used are sufficiently polydisperse that crystallization is suppressed. Creep and recovery measurements show that the glasses can tolerate surprisingly large strains, up to at least 15%, before yielding irreversibly. We attribute this behaviour to 'cage elasticity', the ability of a particle and its cage of neighbours to retain their identity under quite large distortion. Results from light scattering echo, which measures the extent of irreversible particle rearrangement under oscillatory shear, support the notion of cage elasticity. In the lower concentration glasses we find that particle trajectories are partly reversible under strains which significantly exceed the yield strain.

  18. Effect of modifying agents on the hydrophobicity and yield of zinc borate synthesized by zinc oxide

    NASA Astrophysics Data System (ADS)

    Acarali, Nil Baran; Bardakci, Melek; Tugrul, Nurcan; Derun, Emek Moroydor; Piskin, Sabriye

    2013-06-01

    The aim of this study was to synthesize zinc borate using zinc oxide, reference boric acid, and reference zinc borate (reference ZB) as the seed, and to investigate the effects of modifying agents and reaction parameters on the hydrophobicity and yield, respectively. The reaction parameters include reaction time (1-5 h), reactant ratio (H3BO3/ZnO by mass: 2-5), seed ratio (seed crystal/(H3BO3+ZnO) by mass: 0-2wt%), reaction temperature (50-120°C), cooling temperature (10-80°C), and stirring rate (400-700 r/min); the modifying agents involve propylene glycol (PG, 0-6wt%), kerosene (1wt%-6wt%), and oleic acid (OA, 1wt%-6wt%) with solvents (isopropyl alcohol (IPA), ethanol, and methanol). The results of reaction yield obtained from either magnetically or mechanically stirred systems were compared. Zinc borate produced was characterized by X-ray diffraction (XRD), Fourier transform infrared spectroscopy (FT-IR), and contact angle tests to identify the hydrophobicity. In conclusion, zinc borate is synthesized successfully under the optimized reaction conditions, and the different modifying agents with various solvents affect the hydrophobicity of zinc borate.

  19. Probing reaction dynamics with the {sup 196}Pt(n,xn{gamma}) reactions for x{le}15

    SciTech Connect

    Bernstein, L.A.; Becker, J.A.; Younes, W.; Archer, D.E.; Hauschild, K.; Nelson, R.O.; Wilburn, W.S. Drake, D.M.

    1998-06-01

    Discrete {gamma}-ray spectra have been measured as a function of incident neutron energy for nuclei produced in the {sup 196}Pt(n,xn{gamma}) reactions. Spectroscopy was done using the large-scale Compton suppressed Ge {gamma}-ray spectrometer GEANIE. The {open_quotes}white{close_quotes} source neutron beam was produced at the Los Alamos Neutron Science WNR facility. Reaction neutron energy was determined using the time-of-flight technique. Reaction-channel yields were inferred from the measured intensity sum of the 2{sub 1}{sup +}{r_arrow}0{sub 1}{sup +} and the 2{sub 2}{sup +}{r_arrow}0{sub 1}{sup +} transitions for the {sup 196}Pt(n,xn) reactions for x{le}15. Weisskopf-Ewing calculations (including precompound) done with the HMS-ALICE code correctly predict the bulk of the (n,xn) reaction products for low multiplicity. However, they do not accurately predict yield ratios of the different (n,xn) reactions for x{ge}9. In addition, there is no consistent experimental indication of charged-particle reaction channels (n,pxn) for incident neutron energies above 60 MeV where they are predicted to account for approximately 1/3 of the total reaction cross section. Several possible causes are discussed for these discrepancies. Finally, the region of E-J phase space populated in this reaction is probed for several of the strongest reaction channels through the observation of relative yields for different yrast and off-yrast states. {copyright} {ital 1998} {ital The American Physical Society}

  20. Neutron yield enhancement in laser-induced deuterium-deuterium fusion using a novel shaped target

    SciTech Connect

    Zhao, J. R.; Chen, L. M. Li, Y. T.; Li, F.; Zhu, B. J.; Li, Yan. F.; Liao, G. Q.; Huang, K.; Ma, Y.; Li, Yi. F.; Zhang, X. P.; Fu, C. B.; Yuan, D. W.; Zhang, K.; Han, B.; Zhao, G.; Rhee, Y. J.; Liu, C.; Xiong, J.; Huang, X. G.; and others

    2015-06-15

    Neutron yields have direct correlation with the energy of incident deuterons in experiments of laser deuterated target interaction [Roth et al., Phys. Rev. Lett. 110, 044802 (2013) and Higginson et al., Phys. Plasmas 18, 100703 (2011)], while deuterated plasma density is also an important parameter. Experiments at the Shenguang II laser facility have produced neutrons with energy of 2.45 MeV using d (d, n) He reaction. Deuterated foil target and K-shaped target were employed to study the influence of plasma density on neutron yields. Neutron yield generated by K-shaped target (nearly 10{sup 6}) was two times higher than by foil target because the K-shaped target results in higher density plasma. Interferometry and multi hydro-dynamics simulation confirmed the importance of plasma density for enhancement of neutron yields.

  1. Neutron yield enhancement in laser-induced deuterium-deuterium fusion using a novel shaped target

    NASA Astrophysics Data System (ADS)

    Zhao, J. R.; Zhang, X. P.; Yuan, D. W.; Chen, L. M.; Li, Y. T.; Fu, C. B.; Rhee, Y. J.; Li, F.; Zhu, B. J.; Li, Yan. F.; Liao, G. Q.; Zhang, K.; Han, B.; Liu, C.; Huang, K.; Ma, Y.; Li, Yi. F.; Xiong, J.; Huang, X. G.; Fu, S. Z.; Zhu, J. Q.; Zhao, G.; Zhang, J.

    2015-06-01

    Neutron yields have direct correlation with the energy of incident deuterons in experiments of laser deuterated target interaction [Roth et al., Phys. Rev. Lett. 110, 044802 (2013) and Higginson et al., Phys. Plasmas 18, 100703 (2011)], while deuterated plasma density is also an important parameter. Experiments at the Shenguang II laser facility have produced neutrons with energy of 2.45 MeV using d (d, n) He reaction. Deuterated foil target and K-shaped target were employed to study the influence of plasma density on neutron yields. Neutron yield generated by K-shaped target (nearly 106) was two times higher than by foil target because the K-shaped target results in higher density plasma. Interferometry and multi hydro-dynamics simulation confirmed the importance of plasma density for enhancement of neutron yields.

  2. High yield fabrication of fluorescent nanodiamonds

    PubMed Central

    Boudou, Jean-Paul; Curmi, Patrick; Jelezko, Fedor; Wrachtrup, Joerg; Aubert, Pascal; Sennour, Mohamed; Balasubramanian, Gopalakrischnan; Reuter, Rolf; Thorel, Alain; Gaffet, Eric

    2009-01-01

    A new fabrication method to produce homogeneously fluorescent nanodiamonds with high yields is described. The powder obtained by high energy ball milling of fluorescent high pressure, high temperature diamond microcrystals was converted in a pure concentrated aqueous colloidal dispersion of highly crystalline ultrasmall nanoparticles with a mean size less than or equal to 10 nm. The whole fabrication yield of colloidal quasi-spherical nanodiamonds was several orders of magnitude higher than those previously reported starting from microdiamonds. The results open up avenues for the industrial cost-effective production of fluorescent nanodiamonds with well-controlled properties. PMID:19451687

  3. Groundwater subsidies and penalties to corn yield

    NASA Astrophysics Data System (ADS)

    Zipper, S. C.; Booth, E.; Loheide, S. P.

    2013-12-01

    Proper water management is critical to closing yield gaps (observed yield below potential yield) as global populations continue to expand. However, the impacts of shallow groundwater on crop production and surface processes are poorly understood. The presence of groundwater within or just below the root zone has the potential to cause (via oxygen stress in poorly drained soils) or eliminate (via water supply in dry regions) yield gaps. The additional water use by a plant in the presence of shallow groundwater, compared to free drainage conditions, is called the groundwater subsidy; the depth at which the groundwater subsidy is greatest is the optimal depth to groundwater (DTGW). In wet years or under very shallow water table conditions, the groundwater subsidy is likely to be negative due to increased oxygen stress, and can be thought of as a groundwater penalty. Understanding the spatial dynamics of groundwater subsidies/penalties and how they interact with weather is critical to making sustainable agricultural and land-use decisions under a range of potential climates. Here, we examine patterns of groundwater subsidies and penalties in two commercial cornfields in the Yahara River Watershed, an urbanizing agricultural watershed in south-central Wisconsin. Water table levels are generally rising in the region due to a long-term trend of increasing precipitation over the last several decades. Biophysical indicators tracked throughout both the 2012 and 2013 growing seasons show a strong response to variable groundwater levels on a field scale. Sections of the field with optimal DTGW exhibit consistently higher stomatal conductance rates, taller canopies and higher leaf area index, higher ET rates, and higher pollination success rates. Patterns in these biophysical lines of evidence allow us to pinpoint specific periods within the growing season that plants were experiencing either oxygen or water stress. Most importantly, groundwater subsidies and penalties are

  4. Stellar yields of rotating first stars

    SciTech Connect

    Takahashi, Koh; Umeda, Hideyuki; Yoshida, Takashi

    2014-05-02

    First stars, also called population III stars, are born in the earliest universe without any heavy elements. These stars are the first nuclear reactor in the universe and affect their circumstances emitting synthesized materials. Not only the stellar evolution, but also their chemical yields have many distinctive characteristics. We have modeled evolution of population III stars including effect of stellar rotation. Internal mixing induced by rotation naturally results in primary nitrogen production. Evolution of rotating massive stars is followed until the core collapse phase. The new Pop III yield model will consistently explain the observed abundances of metal-poor systems.

  5. Operation of the yield estimation subsystem

    NASA Technical Reports Server (NTRS)

    Mccrary, D. G.; Rogers, J. L.; Hill, J. D. (Principal Investigator)

    1979-01-01

    The organization and products of the yield estimation subsystem (YES) are described with particular emphasis on meteorological data acquisition, yield estimation, crop calendars, weekly weather summaries, and project reports. During the three phases of LACIE, YES demonstrated that it is possible to use the flow of global meteorological data and provide valuable information regarding global wheat production. It was able to establish a capability to collect, in a timely manner, detailed weather data from all regions of the world, and to evaluate and convert that data into information appropriate to the project's needs.

  6. Amplitude Models for Discrimination and Yield Estimation

    SciTech Connect

    Phillips, William Scott

    2016-09-01

    This seminar presentation describes amplitude models and yield estimations that look at the data in order to inform legislation. The following points were brought forth in the summary: global models that will predict three-component amplitudes (R-T-Z) were produced; Q models match regional geology; corrected source spectra can be used for discrimination and yield estimation; three-component data increase coverage and reduce scatter in source spectral estimates; three-component efforts must include distance-dependent effects; a community effort on instrument calibration is needed.

  7. High yield fabrication of fluorescent nanodiamonds.

    PubMed

    Boudou, Jean-Paul; Curmi, Patrick A; Jelezko, Fedor; Wrachtrup, Joerg; Aubert, Pascal; Sennour, Mohamed; Balasubramanian, Gopalakrischnan; Reuter, Rolf; Thorel, Alain; Gaffet, Eric

    2009-06-10

    A new fabrication method to produce homogeneously fluorescent nanodiamonds with high yields is described. The powder obtained by high energy ball milling of fluorescent high pressure, high temperature diamond microcrystals was converted in a pure concentrated aqueous colloidal dispersion of highly crystalline ultrasmall nanoparticles with a mean size less than or equal to 10 nm. The whole fabrication yield of colloidal quasi-spherical nanodiamonds was several orders of magnitude higher than those previously reported starting from microdiamonds. The results open up avenues for the industrial cost-effective production of fluorescent nanodiamonds with well-controlled properties.

  8. Yielding and post-yield behaviour of closed-cell cellular materials under multiaxial dynamic loading

    NASA Astrophysics Data System (ADS)

    Vesenjak, Matej; Ren, Zoran

    2016-05-01

    The paper focuses on characterisation of yielding and post-yield behaviour of metals with closed-cell cellular structure when subjected to multiaxial dynamic loading, considering the influence of the relative density, base material, strain rate and pore gas pressure. Research was conducted by extensive parametric fully-coupled computational simulations using the finite element code LS-DYNA. Results have shown that the macroscopic yield stress of cellular material rises with increase of the relative density, while its dependence on the hydrostatic stress decreases. The yield limit also rises with increase of the strain rate, while the hydrostatic stress influence remains more or less the same at different strain-rates. The macroscopic yield limit of the cellular material is also strongly influenced by the choice of base material since the base materials with higher yield limit contribute also to higher macroscopic yield limit of the cellular material. By increasing the pore gas filler pressure the dependence on hydrostatic stress increases while at the same time the yield surface shifts along the hydrostatic axis in the negative direction. This means that yielding at compression is delayed due to influence of the initial pore pressure and occurs at higher compressive loading, while the opposite is true for tensile loading.

  9. Impacts of biofuel cultivation on mortality and crop yields

    NASA Astrophysics Data System (ADS)

    Ashworth, K.; Wild, O.; Hewitt, C. N.

    2013-05-01

    Ground-level ozone is a priority air pollutant, causing ~ 22,000 excess deaths per year in Europe, significant reductions in crop yields and loss of biodiversity. It is produced in the troposphere through photochemical reactions involving oxides of nitrogen (NOx) and volatile organic compounds (VOCs). The biosphere is the main source of VOCs, with an estimated 1,150TgCyr-1 (~ 90% of total VOC emissions) released from vegetation globally. Isoprene (2-methyl-1,3-butadiene) is the most significant biogenic VOC in terms of mass (around 500TgCyr-1) and chemical reactivity and plays an important role in the mediation of ground-level ozone concentrations. Concerns about climate change and energy security are driving an aggressive expansion of bioenergy crop production and many of these plant species emit more isoprene than the traditional crops they are replacing. Here we quantify the increases in isoprene emission rates caused by cultivation of 72Mha of biofuel crops in Europe. We then estimate the resultant changes in ground-level ozone concentrations and the impacts on human mortality and crop yields that these could cause. Our study highlights the need to consider more than simple carbon budgets when considering the cultivation of biofuel feedstock crops for greenhouse-gas mitigation.

  10. SU-E-T-560: Monte Carlo Simulation of the Neutron Radiation Field Around a Medical 18 MV Linac

    SciTech Connect

    Horst, F; Czarnecki, D; Zink, K

    2015-06-15

    Purpose: Today the majority of radiation therapy treatments are performed at medical electron linear accelerators (linacs). The accelerated electrons are used for the generation of bremsstrahlung photons. The use of higher electron respectively photon energies has some advantages over lower energies such as the longer dose build-up. However photons with energies higher than ∼7 MeV can additionally to the interaction with bound electrons undergo inelastic reactions with nuclei. These photonuclear reactions lead to the emission of fast neutrons which contaminate the primary photon field. The neutrons might penetrate through the collimators and deliver out-of-field dose to the patient. Furthermore the materials inside the linac head as well as the air inside the treatment room get activated which might deliver dose to the medical employees even when the linac is not in operation. A detailed knowledge of these effects is essential for adequate radiation protection of the employees and an optimal patient treatment. Methods: It is a common method to study the radiation fields of such linacs by means of Monte Carlo simulations. For the investigation of the effects caused by photonuclear reactions a typical linac in high energy mode (Varian Clinac 18 MV-X) as well as the surrounding bunker were modelled and simulated using the Monte Carlo code FLUKA which includes extensive nuclear reaction and neutron transport models additional to electron-photon transport as well as capabilities for a detailed study of effective dose distributions and activation yields. Results: Neutron spectra as well as neutron effective dose distributions within the bunker were obtained, reaching up to some mSv/Gy in the patient’s plane. The results are normalized per Gy in the depth dose maximum at 10×10 cm{sup 2} field size. Therefore an absolute interpretation is possible. Conclusion: The obtained data gives a better understanding of the photonuclear reaction caused effects.

  11. Catalytic asymmetric umpolung reactions of imines.

    PubMed

    Wu, Yongwei; Hu, Lin; Li, Zhe; Deng, Li

    2015-07-23

    The carbon-nitrogen double bonds in imines are fundamentally important functional groups in organic chemistry. This is largely due to the fact that imines act as electrophiles towards carbon nucleophiles in reactions that form carbon-carbon bonds, thereby serving as one of the most widely used precursors for the formation of amines in both synthetic and biosynthetic settings. If the carbon atom of the imine could be rendered electron-rich, the imine could react as a nucleophile instead of as an electrophile. Such a reversal in the electronic characteristics of the imine functionality would facilitate the development of new chemical transformations that convert imines into amines via carbon-carbon bond-forming reactions with carbon electrophiles, thereby creating new opportunities for the efficient synthesis of amines. The development of asymmetric umpolung reactions of imines (in which the imines act as nucleophiles) remains uncharted territory, in spite of the far-reaching impact such reactions would have in organic synthesis. Here we report the discovery and development of new chiral phase-transfer catalysts that promote the highly efficient asymmetric umpolung reactions of imines with the carbon electrophile enals. These catalysts mediate the deprotonation of imines and direct the 2-azaallyl anions thus formed to react with enals in a highly chemoselective, regioselective, diastereoselective and enantioselective fashion. The reaction tolerates a broad range of imines and enals, and can be carried out in high yield with as little as 0.01 mole per cent catalyst with a moisture- and air-tolerant operational protocol. These umpolung reactions provide a conceptually new and practical approach to chiral amino compounds.

  12. Catalytic asymmetric umpolung reactions of imines

    NASA Astrophysics Data System (ADS)

    Wu, Yongwei; Hu, Lin; Li, Zhe; Deng, Li

    2015-07-01

    The carbon-nitrogen double bonds in imines are fundamentally important functional groups in organic chemistry. This is largely due to the fact that imines act as electrophiles towards carbon nucleophiles in reactions that form carbon-carbon bonds, thereby serving as one of the most widely used precursors for the formation of amines in both synthetic and biosynthetic settings. If the carbon atom of the imine could be rendered electron-rich, the imine could react as a nucleophile instead of as an electrophile. Such a reversal in the electronic characteristics of the imine functionality would facilitate the development of new chemical transformations that convert imines into amines via carbon-carbon bond-forming reactions with carbon electrophiles, thereby creating new opportunities for the efficient synthesis of amines. The development of asymmetric umpolung reactions of imines (in which the imines act as nucleophiles) remains uncharted territory, in spite of the far-reaching impact such reactions would have in organic synthesis. Here we report the discovery and development of new chiral phase-transfer catalysts that promote the highly efficient asymmetric umpolung reactions of imines with the carbon electrophile enals. These catalysts mediate the deprotonation of imines and direct the 2-azaallyl anions thus formed to react with enals in a highly chemoselective, regioselective, diastereoselective and enantioselective fashion. The reaction tolerates a broad range of imines and enals, and can be carried out in high yield with as little as 0.01 mole per cent catalyst with a moisture- and air-tolerant operational protocol. These umpolung reactions provide a conceptually new and practical approach to chiral amino compounds.

  13. Fast pyrolysis of palm kernel shells: influence of operation parameters on the bio-oil yield and the yield of phenol and phenolic compounds.

    PubMed

    Kim, Seon-Jin; Jung, Su-Hwa; Kim, Joo-Sik

    2010-12-01

    Palm kernel shells were pyrolyzed in a pyrolysis plant equipped with a fluidized-bed reactor and a char-separation system. The influence of reaction temperature, feed size and feed rate on the product spectrum was also investigated. In addition, the effect of reaction temperature on the yields of phenol and phenolic compounds in the bio-oil was examined. The maximum bio-oil yield was 48.7 wt.% of the product at 490 degrees C. The maximum yield of phenol plus phenolic compounds amounted to about 70 area percentage at 475 degrees C. The yield of pyrolytic lignin after its isolation from the bio-oil was approximately 46 wt.% based on the water and ash free oil. The pyrolytic lignin was mainly composed of phenol, phenolic compounds and oligomers of coniferyl, sinapyl and p-coumaryl alcohols. From the result of a GPC analysis, the number average molecular weight and the weight average molecular weight were 325 and 463 g/mol, respectively.

  14. [Cutaneous adverse drug reactions].

    PubMed

    Lebrun-Vignes, B; Valeyrie-Allanore, L

    2015-04-01

    Cutaneous adverse drug reactions (CADR) represent a heterogeneous field including various clinical patterns without specific features suggesting drug causality. Exanthematous eruptions, urticaria and vasculitis are the most common forms of CADR. Fixed eruption is uncommon in western countries. Serious reactions (fatal outcome, sequelae) represent 2% of CADR: bullous reactions (Stevens-Johnson syndrome, toxic epidermal necrolysis), DRESS (drug reaction with eosinophilia and systemic symptoms or drug-induced hypersensitivity syndrome) and acute generalized exanthematous pustulosis (AGEP). These forms must be quickly diagnosed to guide their management. The main risk factors are immunosuppression, autoimmunity and some HLA alleles in bullous reactions and DRESS. Most systemic drugs may induce cutaneous adverse reactions, especially antibiotics, anticonvulsivants, antineoplastic drugs, non-steroidal anti-inflammatory drugs, allopurinol and contrast media. Pathogenesis includes immediate or delayed immunologic mechanism, usually not related to dose, and pharmacologic/toxic mechanism, commonly dose-dependent or time-dependent. In case of immunologic mechanism, allergologic exploration is possible to clarify drug causality, with a variable sensitivity according to the drug and to the CADR type. It includes epicutaneous patch testing, prick test and intradermal test. However, no in vivo or in vitro test can confirm the drug causality. To determine the cause of the eruption, a logical approach based on clinical characteristics, chronologic factors and elimination of differential diagnosis is required, completed with a literature search. A reporting to pharmacovigilance network is essential in case of a serious CADR whatever the suspected drug and in any case if the involved drug is a newly marketed one or unusually related to cutaneous reactions.

  15. Accurate Reaction Enthalpies and Sources of Error in DFT Thermochemistry for Aldol, Mannich, and α-Aminoxylation Reactions

    NASA Astrophysics Data System (ADS)

    Wheeler, Steven E.; Moran, Antonio; Pieniazek, Susan N.; Houk, K. N.

    2009-08-01

    Enthalpies for bond-forming reactions that are subject to organocatalysis have been predicted using the high-accuracy CBS-QB3 model chemistry and six DFT functionals. Reaction enthalpies were decomposed into contributions from changes in bonding and other intramolecular effects via the hierarchy of homodesmotic reactions. The order of the reaction exothermicities (aldol < Mannich ≈ α-aminoxylation) arises primarily from changes in formal bond types mediated by contributions from secondary intramolecular interactions. In each of these reaction types, methyl substitution at the β- and γ-positions stabilizes the products relative to the unsubstituted case. The performance of six DFT functionals (B3LYP, B3PW91, B1B95, MPW1PW91, PBE1PBE, and M06-2X), MP2, and SCS-MP2 has been assessed for the prediction of these reaction enthalpies. Even though the PBE1PBE and M06-2X functionals perform well for the aldol and Mannich reactions, errors roughly double when these functionals are applied to the α-aminoxylation reactions. B3PW91 and B1B95, which offer modest accuracy for the aldol and Mannich reactions, yield reliable predictions for the two α-aminoxylation reactions. The excellent performance of the M06-2X and PBE1PBE functionals for aldol and Mannich reactions stems from the cancellation of sizable errors arising from inadequate descriptions of the underlying bond transformations and intramolecular interactions. SCS-MP2/cc-pVTZ performs most consistently across these three classes of reactions, although the reaction exothermicities are systematically underestimated by 1-3 kcal mol-1. Conventional MP2, when paired with the cc-pVTZ basis set, performs somewhat better than SCS-MP2 for some of these reactions, particularly the α-aminoxylations. Finally, the merits of benchmarking DFT functionals for the set of simple chemically meaningful transformations underlying all bond-forming reactions are discussed.

  16. The effect of water deficit on yield and yield components of safflower (Carthamus tinctorius L.).

    PubMed

    Nabipour, M; Meskarbashee, M; Yousefpour, H

    2007-02-01

    The aim of this study carried out in Shahid Chamran Ahwaz, University, in 2001-2002 to determine the effect of different forms of irrigation on the safflower (Carthamus tinctorius L.) yield and yield components. Information was needed on application time of irrigation water on cultivars of safflower (Carthamus tinctorius L.). Increasing competition for water supplies and rising costs of applying water make efficient irrigation important. Yield and water use of safflower were evaluated on silt loam soil. Deficit irrigation treatments; I1: normal irrigation, I2: cutoff irrigation in budding period, I3: cutoff irrigation in flowering period (blooming), I4: cutoff irrigation in maturity period, were examined in Randomized Complete Block Design (RCB) with three replications. In this field experiment irrigation regimes were the main plots and cvs (ARAK 28, ESFAHAN LOCALITY and FO2 cvs) were as sub plots. The plant height, the plant head number, the 1000 seed weight, and the seed yield were measured in this experiment. The different irrigation regimes had a significant effects (p < 0.05) on the seed, the crude oil yields (kg ha(-1)), seed number per boll, harvest index, total dry weight. The highest seed yield (2679 kg seed ha(-1) in cv. ESFAHAN Lo.) and the crude oil yield (855 kg oil ha(-1) in cv. ARAK) were obtained from the I1 irrigation regime. I3 gave the lowest seed yield (1499 kg seed ha(-1) in cv. FO2) and the crude oil yield (449 kg oil ha(-1) in cv. FO2). I1 gave the highest oil percentage (35% in ARAK cv.) and the lowest (27.4% in FO2 cv.) obtained in I4. The different between cvs were significant in number of boll per plant, number of seed per boll, the 1000 seed, high, number of branch per plant, seed yield (kg ha(-1)), crude oil yield and total dry weight.

  17. Comparison of oilseed yields: a preliminary review

    SciTech Connect

    Duke, J.A.; Bagby, M.O.

    1982-01-01

    It was assumed that for most oilseed crops, 90% of the oil yield might be considered as profit. To compare oil seeds, pertinent portions of the yield and energy paragraphs from a summary published by Dr. Duke for DOE Grant No. 59-2246-1-6-054-0 with Dr. Bagby as ADODR were reproduced. The seed yields ranged from 200 to 14,000 kg/ha, the low one too low to consider and the high one suspiciously high. The yield of 14,000 kg oil per hectare is equivalent to more than 30 barrels of oil per hectare. The energy species included ambrette, tung-oil tree, cashew, wood-oil tree, mu-oil tree, peanut, mustard greens; rape, colza; black mustard, turnip, safflower, colocynth, coconut, crambe, African oil palm, soybean, cotton, sunflower, Eastern black walnut, Engligh walnut, meadow foam, flax, macadamia nuts, opium poppy, perilla, almond, castorbean, Chinese tallow tree, sesame, jojoba, yellow mustard, stokes' aster, and Zanzibar oilvine. 1 table. (DP)

  18. High-yield pulping effluent treatment technologies

    SciTech Connect

    Su, W.X.; Hsieh, J.S. . School of Chemical Engineering)

    1993-03-01

    The objective of this report is to examine the high-yield (mechanical) pulp processes with respect to environmental issues affected by the discharge of their waste streams. Various statistics are given that support the view that high-yield pulping processes will have major growth in the US regions where pulp mills are located, and sites for projects in the development phase are indicated. Conventional and innovative effluent-treatment technologies applicable to these processes are reviewed. The different types of mechanical pulping or high-yield processes are explained, and the chemical additives are discussed. The important relationship between pulp yield and measure of BOD in the effluent is graphically presented. Effluent contaminants are identified, along with other important characteristics of the streams. Current and proposed environmental limitations specifically related to mechanical pulp production are reviewed. Conventional and innovative effluent-treatment technologies are discussed, along with their principle applications, uses, advantages, and disadvantages. Sludge management and disposal techniques become an intimate part of the treatment of waste streams. The conclusion is made that conventional technologies can successfully treat effluent streams under current waste-water discharge limitations, but these systems may not be adequate when stricter standards are imposed. At present, the most important issue in the treatment of pulp-mill waste is the management and disposal of the resultant sludge.

  19. High Energy Explosive Yield Enhancer Using Microencapsulation.

    DTIC Science & Technology

    The invention consists of a class of high energy explosive yield enhancers created through the use of microencapsulation techniques. The... microcapsules consist of combinations of highly reactive oxidizers that are encapsulated in either passivated inorganic fuels or inert materials and inorganic...fuels. Depending on the application, the availability of the various oxidizers and fuels within the microcapsules can be customized to increase the

  20. Crop yields in a geoengineered climate

    NASA Astrophysics Data System (ADS)

    Pongratz, J.; Lobell, D. B.; Cao, L.; Caldeira, K.

    2012-02-01

    Crop models predict that recent and future climate change may have adverse effects on crop yields. Intentional deflection of sunlight away from the Earth could diminish the amount of climate change in a high-CO2 world. However, it has been suggested that this diminution would come at the cost of threatening the food and water supply for billions of people. Here, we carry out high-CO2, geoengineering and control simulations using two climate models to predict the effects on global crop yields. We find that in our models solar-radiation geoengineering in a high-CO2 climate generally causes crop yields to increase, largely because temperature stresses are diminished while the benefits of CO2 fertilization are retained. Nevertheless, possible yield losses on the local scale as well as known and unknown side effects and risks associated with geoengineering indicate that the most certain way to reduce climate risks to global food security is to reduce emissions of greenhouse gases.