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Sample records for absolute reaction cross

  1. Absolute cross sections of compound nucleus reactions

    NASA Astrophysics Data System (ADS)

    Capurro, O. A.

    1993-11-01

    The program SEEF is a Fortran IV computer code for the extraction of absolute cross sections of compound nucleus reactions. When the evaporation residue is fed by its parents, only cumulative cross sections will be obtained from off-line gamma ray measurements. But, if one has the parent excitation function (experimental or calculated), this code will make it possible to determine absolute cross sections of any exit channel.

  2. Near-threshold absolute photoionization cross-sections of some reaction intermediates in combustion

    NASA Astrophysics Data System (ADS)

    Wang, Juan; Yang, Bin; Cool, Terrill A.; Hansen, Nils; Kasper, Tina

    2008-02-01

    The use of photoionization mass spectrometry for the development of quantitative kinetic models for the complex combustion chemistry of both conventional hydrocarbon fuels and oxygenated biofuels requires near-threshold measurements of absolute photoionization cross-sections for numerous reaction intermediates. Near-threshold absolute cross-sections for molecular and dissociative photoionization for 20 stable reaction intermediates (methane, ethane, propane, n-butane, cyclopropane, methylcyclopentane, 1-butene, cis-2-butene, isobutene, 1-pentene, cyclohexene, 3,3-dimethyl-1-butene, 1,3-hexadiene, 1,3-cyclohexadiene, methyl acetate, ethyl acetate, tetrahydrofuran, propanal, 1-butyne, 2-butyne) are presented. Previously measured total photoionization cross-sections for 9 of these molecules are in good agreement with the present results. The measurements are performed with photoionization mass spectrometry (PIMS) using a monochromated VUV synchrotron light source with an energy resolution of 40 meV (fwhm) comparable to that used for flame-sampling molecular beam PIMS studies of flame chemistry and reaction kinetics.

  3. Absolute Cross Sections for Proton Induced Reactions on 147,149Sm Below the Coulomb Barrier

    NASA Astrophysics Data System (ADS)

    Gheorghe, I.; Filipescu, D.; Glodariu, T.; Bucurescu, D.; Cata-Danil, I.; Cata-Danil, G.; Deleanu, D.; Ghita, D.; Ivascu, M.; Lica, R.; Marginean, N.; Marginean, R.; Mihai, C.; Negret, A.; Sava, T.; Stroe, L.; Toma, S.; Sima, O.; Sin, M.

    2014-05-01

    Cross sections for 147,149Sm(p,n)147,149Eu and 147,149Sm(p, γ)148,150Eu were measured using the activation method. The results are compared to the predictions of the Hauser-Feshbach statistical model. Different γ-ray strength functions have been tested against the experimental values. In the case of 150Eu, in order to reproduce the experimental isomeric population cross sections, various scenarios for unknown branching ratios of certain discrete states have been discussed. The results provide constraints for the optical model parameters dedicated to this insufficiently known area of isotopes. Such cross sections for (p, γ) reactions at energies below the Coulomb barrier are valuable for p-process nucleosynthesis calculations.

  4. Chlorine atom spin orbit branching ratios and total absolute reaction cross-sections for the H+DCl→HD+Cl reaction

    NASA Astrophysics Data System (ADS)

    Hanf, Alexander; Läuter, Almuth; Suresh, Dhanya; Volpp, Hans-Robert; Wolfrum, Jürgen

    2001-05-01

    Chlorine atom spin-orbit product branching ratios and total absolute reaction cross-sections have been measured for the H+DCl→HD+Cl gas-phase reaction for collision energies of E col=1.0, 1.4 and 1.7 eV. The measured Cl*( 2P1/2) atom spin-orbit product branching ratios φ Cl*(1.0 eV)=[ Cl*]/[ Cl+ Cl*]=(0.06±0.02) , φ Cl*(1.4 eV)=(0.07±0.01) , and φ Cl*(1.7 eV)=(0.16±0.01) revealed the increasing importance of a non-adiabatic reaction channel H+DCl→HD+Cl * with increasing collision energy. The measured total absolute reaction cross-sections allow for comparison with results from recent quasi-classical trajectory (QCT) calculations [F.J. Aoiz et al. J. Phys. Chem. A 104 (2000) 10452].

  5. Absolute state-selected total cross sections for the ion-molecule reactions O + (4S,2D,2P)+H2(D2)

    NASA Astrophysics Data System (ADS)

    Li, X.; Huang, Y.-L.; Flesch, G. D.; Ng, C. Y.

    1997-01-01

    Absolute total cross sections for the state-selected reactions of O+(4S,2D,2P)+H2 (D2) have been measured in the center-of-mass collision energy (Ec.m.) range of 0.02-12 eV. The cross sections for OH+ (OD+) from O+(2D)+H2 (D2) are slightly higher than those from O+(4S)+H2 (D2), whereas the OH+ (OD+) cross sections from O+ (2P)+H2 (D2) are ≈40% lower than those from O+(4S)+H2 (D2) and O+ (2D)+H2 (D2). At Ec.m.<0.5 eV, the total cross sections for OH+ (OD+) from O+ (4S)+H2 (D2) and O+(2D)+H2 (D2) are in accord with those predicted by the Langevin-Gioumousis-Stevenson model. Significantly higher cross sections are observed for H+ (D+) and H2+ (D2+) from O+(2D)+H2 (D2) and O+(2P)+H2 (D2), as compared to those from O+(4S)+H2 (D2). The exothermic nature of the O+(2D,2P)+H2 (D2) charge transfer collisions accounts for the high cross sections observed for H2+ (D2+). While the H+ (D+) ions observed in the O+(4S)+H2 (D2) reaction are identified with the H+ (D+)+O+H channel, the H+ (D+) ions from the reactions involving O+(2D) and O+(2P) are associated mostly with the H+ (D+)+OH (OD) channel, the formation of which obeys the spin-conservation rule. The comparison of the sum (σT) of cross sections for OH+ (OD+), H2+ (D2+), and H+ (D+) from O+(4S)+H2 (D2) to those from O+(2D)+H2 (D2) and O+(2P)+H2 (D2) shows that the σTs for O+(4S)+H2 (D2), O+(2D)+H2 (D2), and O+(2P)+H2 (D2) at Ec.m.<0.5 eV are comparable. At Ec.m.>0.5 eV, the σTs for O+(2P)+H2 (D2) are greater than those for O+(2D)+H2 (D2), which in turn are greater than those for O+(4S)+H2 (D2). This observation is attributed to the increase in the number of accessible product channels for reactions involving the excited O+(2D) and O+(2P) reactant ions.

  6. Absolute measurement of the differential cross section for the reaction sup 4 He(. gamma. , p ) sup 3 H from 63 to 71 MeV

    SciTech Connect

    Jones, R.T.; Jenkins, D.A. ); Debevec, P.T.; Harty, P.D.; Knott, J.E. )

    1991-05-01

    Results are presented from a {sup 4}He photodisintegration experiment performed with quasimonochromatic photons using a large solid-angle detector. The tagged-bremsstrahlung technique gave a reliable absolute normalization. In addition, an unambiguous separation of the proton-triton channel from other photodisintegration channels was achieved. A total cross section of 218{plus minus}8 {mu}b was measured at a mean energy of 67{plus minus}4 MeV and Legendre coefficients up to {ital a}{sub 5} were extracted from the angular distributions.

  7. Absolute Photoionization Cross Sections of Two Cyclic Ketones: Cyclopentanone & Cyclohexanone.

    PubMed

    Price, Chelsea; Fathi, Yasmin; Meloni, Giovanni

    2017-02-23

    Absolute photoionization cross sections for cyclopentanone and cyclohexanone, as well as partial ionization cross sections for the dissociative ionized fragments, are presented in this investigation. Experiments are performed via a multiplexed photoionization mass spectrometer utilizing VUV synchrotron radiation supplied by the Advanced Light Source of Lawrence Berkeley National Laboratory. These results allow the quantification of these species that is relevant to investigate the kinetics and combustion reactions of potential biofuels. The CBS-QB3 calculated values for the adiabatic ionization energies agree well with the experimental values and the identification of possible dissociative fragments is discussed for both systems.

  8. 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.

  9. Experimental absolute cross section for photoionization of Xe^7+

    NASA Astrophysics Data System (ADS)

    Schippers, S.; Müller, A.; Esteves, D.; Habibi, M.; Aguilar, A.; Kilcoyne, A. L. D.

    2010-03-01

    Collision processes with highly charged xenon ions are of interest for UV-radiation generation in plasma discharges, for fusion research and for space craft propulsion. Here we report results for the photoionization of Xe^7+ ionsootnotetextS. Schippers et al., J. Phys.: Conf. Ser. (in print) which were measured at the photon-ion end station of ALS beamline 10.0.1. As compared with the only previous experimental studyootnotetextJ. M. Bizau et al., Phys. Rev. Lett. 84, 435 (2000) of this reaction, the present cross sections were obtained at higher energy resolution (50--80 meV vs. 200--500 meV) and on an absolute cross section scale. In the experimental photon energy range of 95--145 eV the cross section is dominated by resonances associated with 4d->5f excitation and subsequent autoionization. The most prominent feature in the measured spectrum is the 4d^9,s,f, resonance at 121.14±0.02 eV which reaches a peak cross section of 1.2 Gb at 50 meV photon energy spread. The experimental resonance strength of 160 Mb eV (corresponding to an absorption oscillator strength of 1.46) is in fair agreement with the theoretical result^2.

  10. Absolute photoneutron cross sections of Sm isotopes

    SciTech Connect

    Gheorghe, I.; Glodariu, T.; Utsunomiya, H.; Filipescu, D.; Nyhus, H.-T.; Renstrom, T.; Tesileanu, O.; Shima, T.; Takahisa, K.; Miyamoto, S.

    2015-02-24

    Photoneutron cross sections for seven samarium isotopes, {sup 144}Sm, {sup 147}Sm, {sup 148}Sm, {sup 149}Sm, {sup 150}Sm, {sup 152}Sm and {sup 154}Sm, have been investigated near neutron emission threshold using quasimonochromatic laser-Compton scattering γ-rays produced at the synchrotron radiation facility NewSUBARU. The results are important for nuclear astrophysics calculations and also for probing γ-ray strength functions in the vicinity of neutron threshold. Here we describe the neutron detection system and we discuss the related data analysis and the necessary method improvements for adapting the current experimental method to the working parameters of the future Gamma Beam System of Extreme Light Infrastructure - Nuclear Physics facility.

  11. Absolute cross section for the reaction /sup 3/H(p,. gamma. /sub 0/)/sup 4/He and a review of /sup 4/He(. gamma. , p/sub 0/)/sup 3/H measurements

    SciTech Connect

    Calarco, J.R.; Hanna, S.S.; Chang, C.C.; Diener, E.M.; Kuhlmann, E.; Fisher, G.A.

    1983-08-01

    Accurate differential cross sections have been measured at 90/sup 0/ for the reaction /sup 3/H(p,..gamma..)/sup 4/He at E/sub p/ = 8.34 and 13.6 MeV. Previously published results for both /sup 3/H(p,..gamma..)/sup 4/He and /sup 4/He(..gamma..,p)/sup 3/H are reviewed and compared with the present data. The theoretical implications of the results are briefly discussed.

  12. Selected Reaction Monitoring Mass Spectrometry for Absolute Protein Quantification.

    PubMed

    Manes, Nathan P; Mann, Jessica M; Nita-Lazar, Aleksandra

    2015-08-17

    Absolute quantification of target proteins within complex biological samples is critical to a wide range of research and clinical applications. This protocol provides step-by-step instructions for the development and application of quantitative assays using selected reaction monitoring (SRM) mass spectrometry (MS). First, likely quantotypic target peptides are identified based on numerous criteria. This includes identifying proteotypic peptides, avoiding sites of posttranslational modification, and analyzing the uniqueness of the target peptide to the target protein. Next, crude external peptide standards are synthesized and used to develop SRM assays, and the resulting assays are used to perform qualitative analyses of the biological samples. Finally, purified, quantified, heavy isotope labeled internal peptide standards are prepared and used to perform isotope dilution series SRM assays. Analysis of all of the resulting MS data is presented. This protocol was used to accurately assay the absolute abundance of proteins of the chemotaxis signaling pathway within RAW 264.7 cells (a mouse monocyte/macrophage cell line). The quantification of Gi2 (a heterotrimeric G-protein α-subunit) is described in detail.

  13. Stochastic analysis of biochemical reaction networks with absolute concentration robustness

    PubMed Central

    Anderson, David F.; Enciso, Germán A.; Johnston, Matthew D.

    2014-01-01

    It has recently been shown that structural conditions on the reaction network, rather than a ‘fine-tuning’ of system parameters, often suffice to impart ‘absolute concentration robustness’ (ACR) on a wide class of biologically relevant, deterministically modelled mass-action systems. We show here that fundamentally different conclusions about the long-term behaviour of such systems are reached if the systems are instead modelled with stochastic dynamics and a discrete state space. Specifically, we characterize a large class of models that exhibit convergence to a positive robust equilibrium in the deterministic setting, whereas trajectories of the corresponding stochastic models are necessarily absorbed by a set of states that reside on the boundary of the state space, i.e. the system undergoes an extinction event. If the time to extinction is large relative to the relevant timescales of the system, the process will appear to settle down to a stationary distribution long before the inevitable extinction will occur. This quasi-stationary distribution is considered for two systems taken from the literature, and results consistent with ACR are recovered by showing that the quasi-stationary distribution of the robust species approaches a Poisson distribution. PMID:24522780

  14. Relay cross metathesis reactions of vinylphosphonates.

    PubMed

    Malla, Raj K; Ridenour, Jeremy N; Spilling, Christopher D

    2014-01-01

    Dimethyl (β-substituted) vinylphosphonates do not readily undergo cross metathesis reactions with Grubbs catalyst and terminal alkenes. However, the corresponding mono- or diallyl vinylphosphonate esters undergo facile cross metathesis reactions. The improved reactivity is attributed to a relay step in the cross metathesis reaction mechanism.

  15. Estimation of Absolute Protein Quantities of Unlabeled Samples by Selected Reaction Monitoring Mass Spectrometry*

    PubMed Central

    Ludwig, Christina; Claassen, Manfred; Schmidt, Alexander; Aebersold, Ruedi

    2012-01-01

    For many research questions in modern molecular and systems biology, information about absolute protein quantities is imperative. This information includes, for example, kinetic modeling of processes, protein turnover determinations, stoichiometric investigations of protein complexes, or quantitative comparisons of different proteins within one sample or across samples. To date, the vast majority of proteomic studies are limited to providing relative quantitative comparisons of protein levels between limited numbers of samples. Here we describe and demonstrate the utility of a targeting MS technique for the estimation of absolute protein abundance in unlabeled and nonfractionated cell lysates. The method is based on selected reaction monitoring (SRM) mass spectrometry and the “best flyer” hypothesis, which assumes that the specific MS signal intensity of the most intense tryptic peptides per protein is approximately constant throughout a whole proteome. SRM-targeted best flyer peptides were selected for each protein from the peptide precursor ion signal intensities from directed MS data. The most intense transitions per peptide were selected from full MS/MS scans of crude synthetic analogs. We used Monte Carlo cross-validation to systematically investigate the accuracy of the technique as a function of the number of measured best flyer peptides and the number of SRM transitions per peptide. We found that a linear model based on the two most intense transitions of the three best flying peptides per proteins (TopPep3/TopTra2) generated optimal results with a cross-correlated mean fold error of 1.8 and a squared Pearson coefficient R2 of 0.88. Applying the optimized model to lysates of the microbe Leptospira interrogans, we detected significant protein abundance changes of 39 target proteins upon antibiotic treatment, which correlate well with literature values. The described method is generally applicable and exploits the inherent performance advantages of SRM

  16. Absolute np and pp cross section determinations aimed at improving the standard for cross section measurements

    SciTech Connect

    Laptev, Alexander B; Haight, Robert C; Tovesson, Fredrik; Arndt, Richard A; Briscoe, William J; Paris, Mark W; Strakovsky, Igor I; Workman, Ron L

    2010-01-01

    Purpose of present research is a keeping improvement of the standard for cross section measurements of neutron-induced reactions. The cross sections for np and pp scattering below 1000 MeV are determined based on partial-wave analyses (PW As) of nucleon-nucleon scattering data. These cross sections are compared with the most recent ENDF/B-V11.0 and JENDL-4.0 data files, and the Nijmegen PWA. Also a comparison of evaluated data with recent experimental data was made to check a quality of evaluation. Excellent agreement was found between the new experimental data and our PWA predictions.

  17. Absolute np and pp Cross Section Determinations Aimed At Improving The Standard For Cross Section Measurements

    SciTech Connect

    Laptev, A. B.; Haight, R. C.; Tovesson, F.; Arndt, R. A.; Briscoe, W. J.; Paris, M. W.; Strakovsky, I. I.; Workman, R. L.

    2011-06-01

    Purpose of present research is a keeping improvement of the standard for cross section measurements of neutron-induced reactions. The cross sections for np and pp scattering below 1 GeV are determined based on partial-wave analyses (PWAs) of nucleon-nucleon scattering data. These cross sections are compared with the most recent ENDF/B-VII.0 and JENDL-4.0 data files, and the Nijmegen PWA. Also a comparison of evaluated data with recent experimental data was made to check a quality of evaluation. Excellent agreement was found between the new experimental data and our PWA predictions.

  18. Absolute cross-sections for DNA strand breaks and crosslinks induced by low energy electrons.

    PubMed

    Chen, Wenzhuang; Chen, Shiliang; Dong, Yanfang; Cloutier, Pierre; Zheng, Yi; Sanche, Léon

    2016-12-07

    Absolute cross sections (CSs) for the interaction of low energy electrons with condensed macromolecules are essential parameters to accurately model ionizing radiation induced reactions. To determine CSs for various conformational DNA damage induced by 2-20 eV electrons, we investigated the influence of the attenuation length (AL) and penetration factor (f) using a mathematical model. Solid films of supercoiled plasmid DNA with thicknesses of 10, 15 and 20 nm were irradiated with 4.6, 5.6, 9.6 and 14.6 eV electrons. DNA conformational changes were quantified by gel electrophoresis, and the respective yields were extrapolated from exposure-response curves. The absolute CS, AL and f values were generated by applying the model developed by Rezaee et al. The values of AL were found to lie between 11 and 16 nm with the maximum at 14.6 eV. The absolute CSs for the loss of the supercoiled (LS) configuration and production of crosslinks (CL), single strand breaks (SSB) and double strand breaks (DSB) induced by 4.6, 5.6, 9.6 and 14.6 eV electrons are obtained. The CSs for SSB are smaller, but similar to those for LS, indicating that SSB are the main conformational damage. The CSs for DSB and CL are about one order of magnitude smaller than those of LS and SSB. The value of f is found to be independent of electron energy, which allows extending the absolute CSs for these types of damage within the range 2-20 eV, from previous measurements of effective CSs. When comparison is possible, the absolute CSs are found to be in good agreement with those obtained from previous similar studies with double-stranded DNA. The high values of the absolute CSs of 4.6 and 9.6 eV provide quantitative evidence for the high efficiency of low energy electrons to induce DNA damage via the formation of transient anions.

  19. Absolute cross-section normalization of magnetic neutron scattering data.

    PubMed

    Xu, Guangyong; Xu, Zhijun; Tranquada, J M

    2013-08-01

    We discuss various methods to obtain the resolution volume for neutron scattering experiments, in order to perform absolute normalization on inelastic magnetic neutron scattering data. Examples from previous experiments are given. We also try to provide clear definitions of a number of physical quantities which are commonly used to describe neutron magnetic scattering results, including the dynamic spin correlation function and the imaginary part of the dynamic susceptibility. Formulas that can be used for general purposes are provided and the advantages of the different normalization processes are discussed.

  20. Absolute cross-section normalization of magnetic neutron scattering data

    NASA Astrophysics Data System (ADS)

    Xu, Guangyong; Xu, Zhijun; Tranquada, J. M.

    2013-08-01

    We discuss various methods to obtain the resolution volume for neutron scattering experiments, in order to perform absolute normalization on inelastic magnetic neutron scattering data. Examples from previous experiments are given. We also try to provide clear definitions of a number of physical quantities which are commonly used to describe neutron magnetic scattering results, including the dynamic spin correlation function and the imaginary part of the dynamic susceptibility. Formulas that can be used for general purposes are provided and the advantages of the different normalization processes are discussed.

  1. Absolute Integral Cross Sections for the State-selected Ion-Molecule Reaction N2+(X2Σg+ v+ = 0-2) + C2H2 in the Collision Energy Range of 0.03-10.00 eV

    NASA Astrophysics Data System (ADS)

    Xu, Yuntao; Xiong, Bo; Chung Chang, Yih; Ng, C. Y.

    2016-08-01

    Using the vacuum ultraviolet laser pulsed field ionization-photoion source, together with the double-quadrupole-double-octopole mass spectrometer developed in our laboratory, we have investigated the state-selected ion-molecule reaction {{{{N}}}2}+({X}2{{{{Σ }}}{{g}}}+; v + = 0-2, N+ = 0-9) + C2H2, achieving high internal-state selectivity and high kinetic energy resolution for reactant {{{{N}}}2}+ ions. The charge transfer (CT) and hydrogen-atom transfer (HT) channels, which lead to the respective formation of product {{{C}}}2{{{{H}}}2}+ and N2H+ ions, are observed. The vibrationally selected absolute integral cross sections for the CT [σ CT(v +)] and HT [[σ HT(v +)] channels obtained in the center-of-mass collision energy (E cm) range of 0.03-10.00 eV reveal opposite E cm dependences. The σ CT(v +) is found to increase as E cm is decreased, and is consistent with the long-range exothermic CT mechanism, whereas the E cm enhancement observed for the σ HT(v +) suggests effective coupling of kinetic energy to internal energy, enhancing the formation of N2H+. The σ HT(v +) curve exhibits a step at E cm = 0.70-1.00 eV, suggesting the involvement of the excited {{{C}}}2{{{{H}}}2}+({A}2{{{{Σ }}}{{g}}}+) state in the HT reaction. Contrary to the strong E cm dependences for σ CT(v +) and σ HT(v +), the effect of vibrational excitation of {{{{N}}}2}+ on both the CT and HT channels is marginal. The branching ratios and cross sections for the CT and HT channels determined in the present study are useful for modeling the atmospheric compositions of Saturn's largest moon, Titan. These cross sections and branching ratios are also valuable for benchmarking theoretical calculations on chemical dynamics of the titled reaction.

  2. Absolute cross-section measurements for ionization of He Rydberg atoms in collisions with K

    NASA Astrophysics Data System (ADS)

    Deng, F.; Renwick, S.; Martínez, H.; Morgan, T. J.

    1995-11-01

    Absolute cross sections for ionization of 1.5-10.0 keV/amu Rydberg helium atoms in principal quantum states 12<=n<=15 due to collisions with potassium have been measured. The data are compared with the free-electron cross section at equal velocity. Our results for the collisional ionization cross sections (σi) agree both in shape and absolute magnitude with the data available for the total electron-scattering cross sections (σe) and support recent theoretical models for ionization of Rydberg atoms with neutral perturbers.

  3. Absolute measurement of the differential cross section for deuteron photodisintegration from 63 to 71 MeV

    SciTech Connect

    Debevec, P.T.; Harty, P.D.; Knott, J.E. ); Jenkins, D.A.; Jones, R.T. )

    1992-03-01

    The absolute differential cross section for the {sup 2}H({gamma},{ital p}){ital n} reaction has been measured using a large solid angle detector, with a tagged photon beam of mean energy 67 MeV. The data have been compared with nine different theoretical calculations of the cross section, which account for the data to varying degrees. Best agreement is obtained for models utilizing the nonrelativistic impulse approximation with a realistic nuclear potential, meson-exchange currents, and relativistic corrections.

  4. Absolute UV absorption cross sections of dimethyl substituted Criegee intermediate (CH3)2COO

    NASA Astrophysics Data System (ADS)

    Chang, Yuan-Pin; Chang, Chun-Hung; Takahashi, Kaito; Lin, Jim-Min, Jr.

    2016-06-01

    The absolute absorption cross sections of (CH3)2COO under a jet-cooled condition were measured via laser depletion to be (1.32 ± 0.10) × 10-17 cm2 molecule-1 at 308 nm and (9.6 ± 0.8) × 10-18 cm2 molecule-1 at 352 nm. The peak UV cross section is estimated to be (1.75 ± 0.14) × 10-17 cm2 molecule-1 at 330 nm, according to the UV spectrum of (CH3)2COO (Huang et al., 2015) scaled to the absolute cross section at 308 nm.

  5. Absolute electron-impact total ionization cross sections of chlorofluoromethanes

    NASA Astrophysics Data System (ADS)

    Martínez, Roberto; Sierra, Borja; Redondo, Carolina; Rayo, María N. Sánchez; Castaño, Fernando

    2004-12-01

    An experimental study is reported on the electron-impact total ionization cross sections (TICSs) of CCl4, CCl3F, CCl2F2, and CClF3 molecules. The kinetic energy of the colliding electrons was in the 10-85 eV range. TICSs were obtained as the sum of the partial ionization cross sections of all fragment ions, measured and identified in a linear double focusing time-of-flight mass spectrometer. The resulting TICS profiles—as a function of the electron-impact energy—have been compared both with those computed by ab initio and (semi)empirical methods and with the available experimental data. The computational methods used include the binary-encounter-Bethe (BEB) modified to include atoms with principal quantum numbers n⩾3, the Deutsch and Märk (DM) formalism, and the modified additivity rule (MAR). It is concluded that both modified BEB and DM methods fit the experimental TICS for (CF4), CClF3, CCl2F2, CCl3F, and CCl4 to a high accuracy, in contrast with the poor accord of the MAR method. A discussion on the factors influencing the discrepancies of the fittings is presented.

  6. Absolute cross sections for dissociative electron attachment to NH3 and CH4

    NASA Astrophysics Data System (ADS)

    Rawat, Prashant; Prabhudesai, Vaibhav S.; Rahman, M. A.; Ram, N. Bhargava; Krishnakumar, E.

    2008-11-01

    Dissociative electron attachment (DEA) cross sections for NH3 and CH4 are measured in a crossed beam apparatus with special care to eliminate discrimination due to kinetic energy and angular distribution of the fragment ions. The cross sections are put on absolute scale using the relative flow technique. The absolute cross sections for the formation of H- and NH2- from ammonia and H- and CH2- from methane are compared with available data from literature. It is seen that the present results are considerably different 6rom what has been reported before. We also compare the cross sections of the H- channel from these molecules along with that from H2O to those from organic molecules containing alkyl, amino and hydroxyl groups to examine the extent to which the recently observed functional group dependence in the DEA contributes.

  7. Absolute cross sections for dissociative electron attachment to H2O and D2O

    NASA Astrophysics Data System (ADS)

    Rawat, Prashant; Prabhudesai, Vaibhav S.; Aravind, G.; Rahman, M. A.; Krishnakumar, E.

    2007-12-01

    The dissociative electron attachment (DEA) process to water (H2O) and heavy water (D2O) has been studied in the gas phase in a cross beam experiment for electron energies up to 20 eV. The apparatus used eliminates discrimination due to the kinetic energy and angular distribution of the ions. The cross sections are normalized to absolute values using the cross section for production of O- from O2 (Rapp and Briglia 1965 J. Chem. Phys. 43 1480). These are the first exhaustive measurements of absolute cross sections for both the H- and O- from H2O and D- and O- from D2O at all the three resonances. The results are compared with the scarce data available in the literature. Isotope effect is observed at the 12 eV resonance in the H- channel and at all the three resonances in the O- channel.

  8. Absolute differential cross sections for electron capture and loss by kilo-electron-volt hydrogen atoms

    NASA Technical Reports Server (NTRS)

    Smith, G. J.; Johnson, L. K.; Gao, R. S.; Smith, K. A.; Stebbings, R. F.

    1991-01-01

    This paper reports measurements of absolute differential cross sections for electron capture and loss for fast hydrogen atoms incident on H2, N2, O2, Ar, and He. Cross sections have been determined in the 2.0- to 5.0-keV energy range over the laboratory angular range 0.02-2 deg, with an angular, resolution of 0.02 deg. The high angular resolution allows observation of the structure at small angles in some of the cross sections. Comparison of the present results with those of other authors generally shows very good agreement.

  9. Measurements of absolute absorption cross sections of ozone in the 185- to 254-nm wavelength region and the temperature dependence

    NASA Technical Reports Server (NTRS)

    Yoshino, K.; Esmond, J. R.; Freeman, D. E.; Parkinson, W. H.

    1993-01-01

    Laboratory measurements of the relative absorption cross sections of ozone at temperatures 195, 228, and 295 K have been made throughout the 185 to 254 nm wavelength region. The absolute absorption cross sections at the same temperatures have been measured at several discrete wavelengths in the 185 to 250 nm region. The absolute cross sections of ozone have been used to put the relative cross sections on a firm absolute basis throughout the 185 to 255 nm region. These recalibrated cross sections are slightly lower than those of Molina and Molina (1986), but the differences are within a few percent and would not be significant in atmospheric applications.

  10. Separation of Betti Reaction Product Enantiomers: Absolute Configuration and Inhibition of Botulinum Neurotoxin A

    DTIC Science & Technology

    2011-03-01

    of Betti Reaction Product Enantiomers : Absolute Configuration and Inhibition of Botulinum Neurotoxin A John H. Cardellina II,† Rebecca C. Vieira...observing sufficient resolution of the two enantiomers on a Chiralcel OD column to permit semipreparative purification of adequate quantities of (þ)-1...comparison of the botulinum neurotoxin serotype A (BoNT/A) inhibitory activity of the (þ) and () enantiomers of 1 was accomplished via an HPLC-based assay

  11. Absolute rate of the reaction of hydrogen atoms with ozone from 219-360 K

    NASA Technical Reports Server (NTRS)

    Lee, J. H.; Michael, J. V.; Payne, W. A.; Stief, L. J.

    1978-01-01

    Absolute rate constants for the reaction of atomic hydrogen with ozone were obtained over the temperature range 219-360 K by the flash photolysis-resonance fluorescence technique. The results can be expressed in Arrhenius form by K = (1.33 plus or minus 0.32)x10 to the minus 10 power exp (-449 plus or minus 58/T) cu cm/molecule/s (two standard deviations). The present work is compared to two previous determinations and is discussed theoretically.

  12. Absolute determination of cross sections for resonant Raman scattering on silicon

    NASA Astrophysics Data System (ADS)

    Müller, Matthias; Beckhoff, Burkhard; Ulm, Gerhard; Kanngießer, Birgit

    2006-07-01

    We studied the resonant Raman scattering of x rays in the vicinity of the K absorption edge of silicon. The investigation was carried out at the plane grating monochromator beamline for undulator radiation of the PTB laboratory at BESSY II in Berlin. Cross sections were determined absolutely for a wide energy range of incident photons with small relative uncertainties employing calibrated instrumentation avoiding any reference samples. The experimentally determined values differ clearly from the theoretical ones found in the literature.

  13. Reaction cross section of 22C

    NASA Astrophysics Data System (ADS)

    Togano, Yasuhiro; Samurai Collaboration

    2014-09-01

    Reaction cross section of 22C on a carbon target at an energy of 240 MeV/nucleon have been measured by using the transmission method. The most neutron-rich carbon isotopes 22C is a candidate of a two-neutron halo nucleus. Tanaka et al. [1] measured the reaction cross section of 22C on a hydrogen target at 40 MeV/nucleon. It is showed 22C to have a large matter radius of 5 . 9 +/- 0 . 9 fm, which is much larger than the ones of carbon isotopes with N <= 14 , suggesting 22C is the halo nucleus. This reported radius has a large uncertainty due to a lack of statistics. To deduce a more accurate matter radius of 22C, the measurement of reaction cross section with higher statistics at a higher beam energy are required. The experiment was performed by using the SAMURAI spectrometer at RIBF. The 22C beam at 240 MeV/nucleon was impinged on a carbon target, and the reaction product was identified by using SAMURAI spectrometer. In the present talk, the extracted reaction cross section and derived matter density distribution of 22C will be presented.

  14. 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

  15. Absolute X-ray emission cross section measurements of Fe K transitions

    NASA Astrophysics Data System (ADS)

    Hell, Natalie; Brown, Gregory V.; Beiersdorfer, Peter; Boyce, Kevin R.; Grinberg, Victoria; Kelley, Richard L.; Kilbourne, Caroline; Leutenegger, Maurice A.; Porter, Frederick Scott; Wilms, Jörn

    2016-06-01

    We have measured the absolute X-ray emission cross sections of K-shell transitions in highly charged L- and K-shell Fe ions using the LLNL EBIT-I electron beam ion trap and the NASA GSFC EBIT Calorimeter Spectrometer (ECS). The cross sections are determined by using the ECS to simultaneously record the spectrum of the bound-bound K-shell transitions and the emission from radiative recombination from trapped Fe ions. The measured spectrum is then brought to an absolute scale by normalizing the measured flux in the radiative recombination features to their theoretical cross sections, which are well known. Once the spectrum is brought to an absolute scale, the cross sections of the K-shell transitions are determined. These measurements are made possible by the ECS, which consists of a 32 channel array, with 14 channels optimized for detecting high energy photons (hν > 10 keV) and 18 channels optimized for detecting low energy photons (hν < 10 keV). The ECS has a large collection area, relatively high energy resolution, and a large bandpass; all properties necessary for this measurement technique to be successful. These data will be used to benchmark cross sections in the atomic reference data bases underlying the plasma modeling codes used to analyze astrophysical spectra, especially those measured by the Soft X-ray Spectrometer calorimeter instrument recently launched on the Hitomi X-ray Observatory.This work was performed under the auspices of the U.S. Department of Energy by Lawrence Livermore National Laboratory under Contract DE-AC52-07NA27344, and supported by NASA grants to LLNL and NASA/GSFC and by ESA under contract No. 4000114313/15/NL/CB.

  16. Reduction Methods for Total Reaction Cross Sections

    NASA Astrophysics Data System (ADS)

    Gomes, P. R. S.; Mendes Junior, D. R.; Canto, L. F.; Lubian, J.; de Faria, P. N.

    2016-03-01

    The most frequently used methods to reduce fusion and total reaction excitation functions were investigated in a very recent paper Canto et al. (Phys Rev C 92:014626, 2015). These methods are widely used to eliminate the influence of masses and charges in comparisons of cross sections for weakly bound and tightly bound systems. This study reached two main conclusions. The first is that the fusion function method is the most successful procedure to reduce fusion cross sections. Applying this method to theoretical cross sections of single channel calculations, one obtains a system independent curve (the fusion function), that can be used as a benchmark to fusion data. The second conclusion was that none of the reduction methods available in the literature is able to provide a universal curve for total reaction cross sections. The reduced single channel cross sections keep a strong dependence of the atomic and mass numbers of the collision partners, except for systems in the same mass range. In the present work we pursue this problem further, applying the reduction methods to systems within a limited mass range. We show that, under these circumstances, the reduction of reaction data may be very useful.

  17. Absolute measurement of the 242Pu neutron-capture cross section

    DOE PAGES

    Buckner, M. Q.; Wu, C. Y.; Henderson, R. A.; ...

    2016-04-21

    Here, the absolute neutron-capture cross section of 242Pu was measured at the Los Alamos Neutron Science Center using the Detector for Advanced Neutron-Capture Experiments array along with a compact parallel-plate avalanche counter for fission-fragment detection. The first direct measurement of the 242Pu(n,γ) cross section was made over the incident neutron energy range from thermal to ≈ 6 keV, and the absolute scale of the (n,γ) cross section was set according to the known 239Pu(n,f) resonance at En,R = 7.83 eV. This was accomplished by adding a small quantity of 239Pu to the 242Pu sample. The relative scale of the crossmore » section, with a range of four orders of magnitude, was determined for incident neutron energies from thermal to ≈ 40 keV. Our data, in general, are in agreement with previous measurements and those reported in ENDF/B-VII.1; the 242Pu(n,γ) cross section at the En,R = 2.68 eV resonance is within 2.4% of the evaluated value. However, discrepancies exist at higher energies; our data are ≈30% lower than the evaluated data at En ≈ 1 keV and are approximately 2σ away from the previous measurement at En ≈ 20 keV.« less

  18. Absolute single-photoionization cross sections of Se2 +: Experiment and theory

    NASA Astrophysics Data System (ADS)

    Macaluso, D. A.; Aguilar, A.; Kilcoyne, A. L. D.; Red, E. C.; Bilodeau, R. C.; Phaneuf, R. A.; Sterling, N. C.; McLaughlin, B. M.

    2015-12-01

    Absolute single-photoionization cross-section measurements for Se2 + ions were performed at the Advanced Light Source at Lawrence Berkeley National Laboratory using the merged-beams photo-ion technique. Measurements were made at a photon energy resolution of 24 ±3 meV in the photon energy range 23.5-42.5 eV, spanning the ground state and low-lying metastable state ionization thresholds. To clearly resolve the resonant structure near the ground-state threshold, high-resolution measurements were made from 30.0 to 31.9 eV at a photon energy resolution of 6.7 ±0.7 meV. Numerous resonance features observed in the experimental spectra are assigned and their energies and quantum defects tabulated. The high-resolution cross-section measurements are compared with large-scale, state-of-the-art theoretical cross-section calculations obtained from the Dirac Coulomb R -matrix method. Suitable agreement is obtained over the entire photon energy range investigated. These results are an experimental determination of the absolute photoionization cross section of doubly ionized selenium and include a detailed analysis of the photoionization resonance spectrum of this ion.

  19. Nanocatalysts for Suzuki cross-coupling reactions.

    PubMed

    Fihri, Aziz; Bouhrara, Mohamed; Nekoueishahraki, Bijan; Basset, Jean-Marie; Polshettiwar, Vivek

    2011-10-01

    This critical review deals with the applications of nanocatalysts in Suzuki coupling reactions, a field that has attracted immense interest in the chemical, materials and industrial communities. We intend to present a broad overview of nanocatalysts for Suzuki coupling reactions with an emphasis on their performance, stability and reusability. We begin the review with a discussion on the importance of Suzuki cross-coupling reactions, and we then discuss fundamental aspects of nanocatalysis, such as the effects of catalyst size and shape. Next, we turn to the core focus of this review: the synthesis, advantages and disadvantages of nanocatalysts for Suzuki coupling reactions. We begin with various nanocatalysts that are based on conventional supports, such as high surface silica, carbon nanotubes, polymers, metal oxides and double hydroxides. Thereafter, we reviewed nanocatalysts based on non-conventional supports, such as dendrimers, cyclodextrin and magnetic nanomaterials. Finally, we discuss nanocatalyst systems that are based on non-conventional media, i.e., fluorous media and ionic liquids, for use in Suzuki reactions. At the end of this review, we summarise the significance of nanocatalysts, their impacts on conventional catalysis and perspectives for further developments of Suzuki cross-coupling reactions (131 references).

  20. Absolute differential cross sections for elastic scattering of electrons from pyrimidine

    SciTech Connect

    Maljkovic, J. B.; Milosavljevic, A. R.; Sevic, D.; Marinkovic, B. P.; Blanco, F.

    2009-05-15

    Differential cross sections (DCSs) for elastic scattering of electrons from pyrimidine (C{sub 4}H{sub 4}N{sub 2}) are presented for incident energies from 50 to 300 eV. The measurements were performed using a cross beam technique, for scattering angles from 20 deg. to 110 deg. The relative DCSs were measured as a function of both the angle and incident energy and the absolute DCSs were determined using the relative flow method. The calculations of electron interaction cross sections are based on a corrected form of the independent-atom method, known as the screen corrected additivity rule procedure and using an improved quasifree absorption model. Calculated results agree very well with the experiment.

  1. Dissociative Recombination and Excitation of CH+5: Absolute Cross Sections and Branching Fractions

    NASA Astrophysics Data System (ADS)

    Semaniak, J.; Larson, Å.; Le Padellec, A.; Strömholm, C.; Larsson, M.; Rosén, S.; Peverall, R.; Danared, H.; Djuric, N.; Dunn, G. H.; Datz, S.

    1998-05-01

    The heavy-ion storage ring CRYRING was used to measure the absolute dissociative recombination and dissociative excitation cross sections for collision energies below 50 eV. Deduced thermal rates coefficients are consistent with previous beams data but are lower by a factor of 3 than the rates measured by means of the flowing afterglow Langmuir probe technique. A resonant structure in dissociative recombination cross section was found at 9 eV. We have determined the branching fractions in DR of CH+5 below 0.2 eV. The branching is dominated by three-body CH3 + H + H and CH2 + H2 + H dissociation channels, which occur with branching ratios of ~0.7 and ~0.2, respectively; thus methane is a minor species among dissociation products. Both the measured absolute cross sections and branching in dissociative recombination of CH+5 can have important implications for the models of dense interstellar clouds and abundance of CH2, CH3 and CH4 in these media.

  2. The Kings Cross fire: psychological reactions.

    PubMed

    Turner, S W; Thompson, J; Rosser, R M

    1995-07-01

    The psychological reactions of 50 survivors of the King's Cross fire, which hit London's underground railway system on the 18th day of November 1987, are described. Results are presented for the Impact of Event scale, the General Health Questionnaire (28-item version), the Eysenck Personality Questionnaire and a King's Cross Event Schedule. These are investigated in relation to (a) validity measures, (b) relationships between exposure and personality, and (c) spontaneous de-briefing. Two thirds of the sample had significant levels of psychological distress (meeting the "caseness" criterion on the GHQ). Both personality (neuroticism and L-scale) and degree of trauma exposure were related to subsequent reaction. Spontaneous debriefing was associated with subjective benefit. Transportation disasters present particular problems in relation to research and service delivery.

  3. Absolute vacuum ultraviolet photoabsorption cross section studies of atomic and molecular species: Techniques and observational data

    NASA Technical Reports Server (NTRS)

    Judge, D. L.; Wu, C. Y. R.

    1990-01-01

    Absorption of a high energy photon (greater than 6 eV) by an isolated molecule results in the formation of highly excited quasi-discrete or continuum states which evolve through a wide range of direct and indirect photochemical processes. These are: photoionization and autoionization, photodissociation and predissociation, and fluorescence. The ultimate goal is to understand the dynamics of the excitation and decay processes and to quantitatively measure the absolute partial cross sections for all processes which occur in photoabsorption. Typical experimental techniques and the status of observational results of particular interest to solar system observations are presented.

  4. Absolute differential cross sections for elastic electron scattering from small biomolecules

    NASA Astrophysics Data System (ADS)

    Maljković, Jelena

    2014-12-01

    The results of an experimental investigation of electrons colliding with a set of biomolecules that are assumed to be analogues of the building blocks of DNA (furan, 3- hydroxytetrahydrofuran and pyrimidine) and proteins (formamide, N-methylformamide) are presented. Absolute differential cross sections at medium incident electron energies 40 eV- 300 eV are presented and compared for these different targets. The experimental results are also compared with available calculations, based on the corrected form of independent atom model and show good agreement over the energy range studied.

  5. Absolute measurement of the 242Pu neutron-capture cross section

    SciTech Connect

    Buckner, M. Q.; Wu, C. Y.; Henderson, R. A.; Bucher, B.; Chyzh, A.; Bredeweg, T. A.; Baramsai, B.; Couture, A.; Jandel, M.; Mosby, S.; O'Donnell, J. M.; Ullmann, J. L.

    2016-04-21

    Here, the absolute neutron-capture cross section of 242Pu was measured at the Los Alamos Neutron Science Center using the Detector for Advanced Neutron-Capture Experiments array along with a compact parallel-plate avalanche counter for fission-fragment detection. The first direct measurement of the 242Pu(n,γ) cross section was made over the incident neutron energy range from thermal to ≈ 6 keV, and the absolute scale of the (n,γ) cross section was set according to the known 239Pu(n,f) resonance at En,R = 7.83 eV. This was accomplished by adding a small quantity of 239Pu to the 242Pu sample. The relative scale of the cross section, with a range of four orders of magnitude, was determined for incident neutron energies from thermal to ≈ 40 keV. Our data, in general, are in agreement with previous measurements and those reported in ENDF/B-VII.1; the 242Pu(n,γ) cross section at the En,R = 2.68 eV resonance is within 2.4% of the evaluated value. However, discrepancies exist at higher energies; our data are ≈30% lower than the evaluated data at En ≈ 1 keV and are approximately 2σ away from the previous measurement at En ≈ 20 keV.

  6. Effect of Wall Suction on Cross-Flow Absolute Instability of a Rotating Disk Boundary Layer

    NASA Astrophysics Data System (ADS)

    Ho, Joanna; Corke, Thomas; Matlis, Eric

    2014-11-01

    The effect of uniform suction on the absolute instability of Type I cross-flow modes on a rotating disk is examined. Specifically it investigates if wall suction transforms the absolute instability into a global mode as postulated in the numerical simulations of Davies and Carpenter (2003). The experiment is designed so that a suction parameter of a =W0 /(νω) 1 / 2 = 0 . 2 locates the absolute instability critical Reynolds number, Rca = 650 , on the disk. Uniform wall suction is applied from R = 317 to 696. The design for wall suction follows that of Gregory and Walker (1950), where an array of holes through the disk communicate between the measurement side of the disk and the underside of the disk in an enclosure that is maintained at a slight vacuum. The measurement surface is covered by a 20 micron pore size Polyethylene sheet. Temporal disturbances are introduced using the method of Othman and Corke (2006), and the evolution of the resulting wave packets are documented. The present results indicate a rapid transition to turbulence near Rca.

  7. Partial (gamma)-Ray Cross Sections for the Reaction 239Pu(n,2n(gamma)i) and the 239Pu(n,2n) Cross Section

    SciTech Connect

    Beacker, J.A.; Bernstein, L.A.; Younes, W.; McNabb, D.P.; Garrett, P.E.; Archer, D.; McGrath, C.A.; Stoyer, M.A.; Chen, H.; Ormand, W.E.; Nelson, R.O.; Chadwick, M.B.; Johns, G.D.; Drake, D.; Young, P.G.; Devlin, M.; Fotiades, N.; Wilburn, W.S.

    2001-09-14

    Absolute partial {gamma}-ray cross sections for production of discrete {gamma} rays in the {sup 239}Pu(n,2n{gamma}i){sup 238}Pu reaction have been measured. The experiments were performed at LANSCE/WNR on the 60R flight line. Reaction {gamma}-rays were measured using the large-scale Compton-suppressed array of Ge detectors, GEANIE. The motivation for this experiment, an overview of the partial {gamma}-ray cross-section measurement, and an introduction to the main experimental issues will be presented. The energy resolution of the Ge detectors allowed identification of reaction {gamma} rays above the background of sample radioactivity and fission {gamma} rays. The use of planar Ge detectors with their reduced sensitivity to neutron interactions and improved line shape was also important to the success of this experiment. Absolute partial {gamma}-ray cross sections are presented for the 6{sub 1}{sup +} {yields} 4{sub 1}{sup +} member of the ground state rotational band in {sup 238}Pu, together with miscellaneous other {gamma}-ray partial cross sections. The n,2n reaction cross section shape and magnitude as a function of neutron energy was extracted from these partial cross sections using nuclear modeling (enhanced Hauser-Feshbach) to relate partial {gamma}-ray cross sections to the n,2n cross section. The critical nuclear modeling issue is the ratio of a partial cross section to the reaction channel cross section, and not the prediction of the absolute magnitude.

  8. Absolute photoionization cross sections of furanic fuels: 2-ethylfuran, 2-acetylfuran and furfural.

    PubMed

    Smith, Audrey R; Meloni, Giovanni

    2015-11-01

    Absolute photoionization cross sections of the molecules 2-ethylfuran, 2-acetylfuran and furfural, including partial ionization cross sections for the dissociative ionized fragments, are measured for the first time. These measurements are important because they allow fuel quantification via photoionization mass spectrometry and the development of quantitative kinetic modeling for the complex combustion of potential fuels. The experiments are carried out using synchrotron photoionization mass spectrometry with an orthogonal time-of-flight spectrometer used for mass analysis at the Advanced Light Source of Lawrence Berkeley National Laboratory. The CBS-QB3 calculations of adiabatic ionization energies and appearance energies agree well with the experimental results. Several bond dissociation energies are also derived and presented.

  9. Absolute determination of the Na22(p,γ)Mg23 reaction rate in novae

    NASA Astrophysics Data System (ADS)

    Sallaska, A. L.; Wrede, C.; García, A.; Storm, D. W.; Brown, T. A. D.; Ruiz, C.; Snover, K. A.; Ottewell, D. F.; Buchmann, L.; Vockenhuber, C.; Hutcheon, D. A.; Caggiano, J. A.; José, J.

    2011-03-01

    Gamma-ray telescopes in orbit around the earth are searching for evidence of the elusive radionuclide Na22 produced in novae. Previously published uncertainties in the dominant destructive reaction, Na22(p,γ)Mg23, indicated new measurements in the proton energy range of 150 to 300 keV were needed to constrain predictions. We have measured the resonance strengths, energies, and branches directly and absolutely by using protons from the University of Washington accelerator with a specially designed beam line, which included beam rastering and cold vacuum protection of the Na22 implanted targets. The targets, fabricated at TRIUMF-ISAC, displayed minimal degradation over a ~20 C bombardment as a result of protective layers. We avoided the need to know the absolute stopping power, and hence the target composition, by extracting resonance strengths from excitation functions integrated over proton energy. Our measurements revealed that resonance strengths for Ep=213, 288, 454, and 610 keV are stronger by factors of 2.4-3.2 than previously reported. Upper limits have been placed on proposed resonances at 198, 209, and 232 keV. These substantially reduce the uncertainty in the reaction rate. We have re-evaluated the Na22(p,γ) reaction rate, and our measurements indicate the resonance at 213 keV makes the most significant contribution to Na22 destruction in novae. Hydrodynamic simulations including our rate indicate that the expected abundance of Na22 ejecta from a classical nova is reduced by factors between 1.5 and 2, depending on the mass of the white-dwarf star hosting the nova explosion.

  10. Absolute Differential Scattering Cross-Sections of Electrons from Neon, Nitrogen and Methyl Chloride

    NASA Astrophysics Data System (ADS)

    Shi, Xueying

    The relative flow technique is used to obtain absolute DCS in a crossed-beam experiment. A novel gas handling system was designed to facilitate these measurements. The absolute DCS of electrons scattered from neon have been measured from 7 eV down to 0.25 eV. At energies of 2 eV and lower, our results are in excellent agreement with MERT and recent ab initio calculation. At energies higher than 2 eV, our results are in excellent agreement with those of Williams. Thus we propose that neon can be used as a benchmark to test the overall performance of the electron spectrometer at low energies. The angular dependence of absolute vibrationally -elastic DCS of electrons scattered from N_2 have been measured at 0.55 eV, 1.50 eV, and ~2.22 eV, the second elastic peak of the ^2Pi_{rm g} resonance. Our results at these two lower energies are much larger than the previous experimental results, but in close agreement with theoretical calculations by Morrison. By extrapolating our curves to 0^ circ and 180^circ using Morrison's curves as a guide, integration gave the total vibrationally-elastic cross sections at these two energies. Our results are within 2-4% of the experimentally measured total cross sections. Methyl Chloride is the simplest saturated hydrocarbon with a single chlorine atom substitution. Two resonances have been assigned in CH_3Cl, the a_1(C-Cl,sigma^*) resonance at 3.45 eV and the e(C-H,sigma ^*) resonance at 5.5 eV. In the elastic channel, the measurements show that dipole scattering dominates at low energies and in the forward direction. In inelastic channels, the C-Cl stretch mode nu_3(a _1) is strongly excited by the sigma ^*(C-Cl) shape resonance, and the C-H stretch mode nu_4(e) is the strongest one excited by the e resonance. The angular dependences for excitation of these two modes are relatively flat. The shapes cannot be explained solely by a few leading terms in the angular momentum expansion arising from the resonance. This suggests that non

  11. NeuCode labels with parallel reaction monitoring for multiplexed, absolute protein quantification

    PubMed Central

    Potts, Gregory K.; Voigt, Emily A.; Bailey, Derek J.; Westphall, Michael S.; Hebert, Alexander S.; Yin, John; Coon, Joshua J.

    2016-01-01

    We introduce a new method to multiplex the throughput of samples for targeted mass spectrometry analysis. The current paradigm for obtaining absolute quantification from biological samples requires spiking isotopically heavy peptide standards into light biological lysates. Because each lysate must be run individually, this method places limitations on sample throughput and high demands on instrument time. When cell lines are first metabolically labeled with various neutron-encoded (NeuCode) lysine isotopologues possessing mDa mass differences from each other, heavy cell lysates may be mixed and spiked with an additional heavy peptide as an internal standard. We demonstrate that these NeuCode lysate peptides may be co-isolated with their internal standards, fragmented, and analyzed together using high resolving power parallel reaction monitoring (PRM). Instead of running each sample individually, these methods allow samples to be multiplexed to obtain absolute concentrations of target peptides in 5, 15, and even 25 biological samples at a time during single mass spectrometry experiments. PMID:26882330

  12. Label-Free Absolute Quantitation of Oligosaccharides Using Multiple Reaction Monitoring

    PubMed Central

    2015-01-01

    An absolute quantitation method for measuring free human milk oligosaccharides (HMOs) in milk samples was developed using multiple reaction monitoring (MRM). To obtain the best sensitivity, the instrument conditions were optimized to reduce the source and postsource fragmentation prior to the quadrupole transmission. Fragmentation spectra of HMOs using collision-induced dissociation were studied to obtain the best characteristic fragments. At least two MRM transitions were used to quantify and identify each structure in the same run. The fragment ions corresponded to the production of singly charged mono-, di-, and trisaccharide fragments. The sensitivity and accuracy of the quantitation using MRM were determined, with the detection limit in the femtomole level and the calibration range spanning over 5 orders of magnitude. Seven commercial HMO standards were used to create calibration curves and were used to determine a universal response for all HMOs. The universal response factor was used to estimate absolute amounts of other structures and the total oligosaccharide content in milk. The quantitation method was applied to 20 human milk samples to determine the variations in HMO concentrations from women classified as secretors and nonsecretors, a phenotype that can be identified by the concentration of 2′-fucosylation in their milk. PMID:24502421

  13. The Br+HO 2 reaction revisited: Absolute determination of the rate constant at 298 K

    NASA Astrophysics Data System (ADS)

    Laverdet, G.; Le Bras, G.; Mellouki, A.; Poulet, G.

    1990-09-01

    The absolute determination of the rate constant for the reaction Br+HO 2→HBr+O 2 has been done at 298 K using the discharge-flor EPR method. The value k1 = (1.5±0.2) × 10 -12 cm 3 molecule -1 s -1 was obtained. Previous indirect measurements of k1 from a discharge-flow, LIF/mass spectrometric study of the Br/H 2CO/O 2 system have been reinterpreted, leading to values for k1 ranging from 1.0 × 10 -12 to 2.2 × 10 -12 cm 3 molecule -1 s -1 at 298 K. These results are discussed and compared with other literature values.

  14. Absolute rate constant for the reaction of Cl(/sup 2/P) with CINO

    SciTech Connect

    Nesbitt, F.L.; Nava, D.F.; Payne, W.A.; Stief, L.J.

    1987-09-24

    The room temperature rate constant for the reaction Cl + CINO yields Cl/sub 2/ + NO has been measured by the method of discharge flow mass spectrometry. The rate constant was determined from the decay of CINO in the presence of an excess of Cl atoms at a total pressure of 1 Torr. The rate constant obtained was (7.6 +/- 0.8) X 10/sup -11/ cm/sup 3/ s/sup -1/. This result is compared with previous determinations, the values of which ranged by more than an order of magnitude and all of which depended on knowledge of the absolute concentration of CINO. The authors suggest that the lack of agreement is attributable principally to uncertainties in (CINO) resulting from absorption of this reactive species on glass and metal surfaces. Our result does not depend directly on (CINO) and supports the highest values published for this rate constant.

  15. Absolute cross sections for ethylene-dication production by electron impact

    NASA Astrophysics Data System (ADS)

    Sigaud, L.; Montenegro, E. C.

    2017-01-01

    This work reports absolute cross-section measurements for the production of ethylene dications by electron impact, with the energy ranging between 25 and 800 eV. Separation of the entangled C2H42 + and CH2+ fragments with the same mass-to-charge ratio, in the time-of-flight spectrum, is properly carried out using the DETOF technique. This separation shows that stable C2H42 + can be produced either by two primary vacancies or by a single primary vacancy in an inner valence shell, with its subsequent de-excitation through Auger-like decay. Our findings show that the latter process can be an important player in dication formation, prevailing in the case of ethylene at projectile energies above 500 eV.

  16. Absolute angle-differential vibrational excitation cross sections for electron collisions with diacetylene

    SciTech Connect

    Allan, M.; May, O.; Fedor, J.; Ibanescu, B. C.; Andric, L.

    2011-05-15

    Absolute vibrational excitation cross sections were measured for diacetylene (1,3-butadiyne). The selectivity of vibrational excitation reveals detailed information about the shape resonances. Excitation of the C{identical_to}C stretch and of double quanta of the C-H bend vibrations reveals a {sup 2}{Pi}{sub u} resonance at 1 eV (autodetachment width {approx}30 meV) and a {sup 2}{Pi}{sub g} resonance at 6.2 eV (autodetachment width 1-2 eV). There is a strong preference for excitation of even quanta of the bending vibration. Excitation of the C-H stretch vibration reveals {sigma}* resonances at 4.3, 6.8, and 9.8 eV, with autodetachment widths of {approx}2 eV. Detailed information about resonances permits conclusions about the mechanism of the dissociative electron attachment.

  17. Absolute single photoionization cross-section measurements of Rb2+ ions: experiment and theory

    NASA Astrophysics Data System (ADS)

    Macaluso, D. A.; Bogolub, K.; Johnson, A.; Aguilar, A.; Kilcoyne, A. L. D.; Bilodeau, R. C.; Bautista, M.; Kerlin, A. B.; Sterling, N. C.

    2016-12-01

    Absolute single photoionization cross-section measurements of Rb2+ ions were performed using synchrotron radiation and the photo-ion, merged-beams technique at the Advanced Light Source at Lawrence Berkeley National Laboratory. Measurements were made at a photon energy resolution of 13.5 ± 2.5 meV from 37.31 to 44.08 eV spanning the 2P{}3/2o ground state and 2P{}1/2o metastable state ionization thresholds. Multiple autoionizing resonance series arising from each initial state are identified using quantum defect theory. The measurements are compared to Breit-Pauli R-matrix calculations with excellent agreement between theory and experiment.

  18. Systematic determination of absolute absorption cross-section of individual carbon nanotubes.

    PubMed

    Liu, Kaihui; Hong, Xiaoping; Choi, Sangkook; Jin, Chenhao; Capaz, Rodrigo B; Kim, Jihoon; Wang, Wenlong; Bai, Xuedong; Louie, Steven G; Wang, Enge; Wang, Feng

    2014-05-27

    Optical absorption is the most fundamental optical property characterizing light-matter interactions in materials and can be most readily compared with theoretical predictions. However, determination of optical absorption cross-section of individual nanostructures is experimentally challenging due to the small extinction signal using conventional transmission measurements. Recently, dramatic increase of optical contrast from individual carbon nanotubes has been successfully achieved with a polarization-based homodyne microscope, where the scattered light wave from the nanostructure interferes with the optimized reference signal (the reflected/transmitted light). Here we demonstrate high-sensitivity absorption spectroscopy for individual single-walled carbon nanotubes by combining the polarization-based homodyne technique with broadband supercontinuum excitation in transmission configuration. To our knowledge, this is the first time that high-throughput and quantitative determination of nanotube absorption cross-section over broad spectral range at the single-tube level was performed for more than 50 individual chirality-defined single-walled nanotubes. Our data reveal chirality-dependent behaviors of exciton resonances in carbon nanotubes, where the exciton oscillator strength exhibits a universal scaling law with the nanotube diameter and the transition order. The exciton linewidth (characterizing the exciton lifetime) varies strongly in different nanotubes, and on average it increases linearly with the transition energy. In addition, we establish an empirical formula by extrapolating our data to predict the absorption cross-section spectrum for any given nanotube. The quantitative information of absorption cross-section in a broad spectral range and all nanotube species not only provides new insight into the unique photophysics in one-dimensional carbon nanotubes, but also enables absolute determination of optical quantum efficiencies in important

  19. Measurement of the Amm242 neutron-induced reaction cross sections

    NASA Astrophysics Data System (ADS)

    Buckner, M. Q.; Wu, C. Y.; Henderson, R. A.; Bucher, B.; Wimer, N.; Chyzh, A.; Bredeweg, T. A.; Baramsai, B.; Couture, A.; Jandel, M.; Mosby, S.; Ullmann, J. L.; Dance Collaboration

    2017-02-01

    The neutron-induced reaction cross sections of Amm242 were measured at the Los Alamos Neutron Science Center using the Detector for Advanced Neutron-Capture Experiments array along with a compact parallel-plate avalanche counter for fission-fragment detection. A new neutron-capture cross section was determined, and the absolute scale was set according to a concurrent measurement of the well-known Amm242(n ,f ) cross section. The (n ,γ ) cross section was measured from thermal energy to an incident energy of 1 eV at which point the data quality was limited by the reaction yield in the laboratory. Our new Amm242 fission cross section was normalized to ENDF/B-VII.1 to set the absolute scale, and it agreed well with the (n ,f ) cross section reported by Browne et al. (1984) from thermal energy to 1 keV. The average absolute capture-to-fission ratio was determined from thermal energy to En=0.1 eV, and it was found to be 26(4)% as opposed to the ratio of 19 % from the ENDF/B-VII.1 evaluation.

  20. Measurement of the Am242m neutron-induced reaction cross sections

    DOE PAGES

    Buckner, M. Q.; Wu, C. Y.; Henderson, R. A.; ...

    2017-02-17

    The neutron-induced reaction cross sections of 242mAm were measured at the Los Alamos Neutron Science Center using the Detector for Advanced Neutron-Capture Experiments array along with a compact parallel-plate avalanche counter for fission-fragment detection. A new neutron-capture cross section was determined, and the absolute scale was set according to a concurrent measurement of the well-known 242mAm(n,f) cross section. The (n,γ) cross section was measured from thermal energy to an incident energy of 1 eV at which point the data quality was limited by the reaction yield in the laboratory. Our new 242mAm fission cross section was normalized to ENDF/B-VII.1 tomore » set the absolute scale, and it agreed well with the (n,f) cross section from thermal energy to 1 keV. Lastly, the average absolute capture-to-fission ratio was determined from thermal energy to En = 0.1 eV, and it was found to be 26(4)% as opposed to the ratio of 19% from the ENDF/B-VII.1 evaluation.« less

  1. Absolute and relative surrogate measurements of the uranium-236(n,f) cross section as a probe of angular momentum effects

    NASA Astrophysics Data System (ADS)

    Lyles, Bethany Faye

    The absolute surrogate technique and the Surrogate Ratio Method (SRM) were used to deduce the 236U(n,f) cross section over an equivalent neutron energy range of 0.1 to 20 MeV for the absolute measurement and 0.8 to 20 MeV for the relative measurement. A 42 MeV 3He2+ beam from the 88--Inch Cyclotron at Lawrence Berkeley National Laboratory was used to perform a (3He,alpha) pickup reaction on targets of 235U (Jpi=7/2 --) and 238U (Jpi=0+) and the fission decay probabilities were determined. The 235U( 3He,alphaf) and 238U(3He,alphaf) reactions were surrogates for 233U(n,f) and 236U(n,f), respectively. Using the absolute surrogate technique, the experimentally determined 238U(3He,alpha) fission probability was multiplied by a calculated neutron absorption cross section to obtain the 236 U(n,f) cross section. Using the SRM, a ratio of the experimentally determined fission probabilities, 238U(3He,alphaf) to 235U(3He,alphaf), was extracted and multiplied by the evaluated 233U(n,f) cross section to obtain the 236U(n,f) cross section. Neither the absolute surrogate nor the SRM used in this case explicitly accounted for Jpi-dependence of the fission probabilities. The cross sections extracted using the Surrogate Method were compared to directly measured cross sections and theoretical predictions. The absolute surrogate 236U(n,f) cross section trended well with the evaluated nuclear data below 3.3 MeV, but was beset with target contamination above this energy, whereas the SRM result agreed with the evaluated nuclear data to within 10% at neutron energies from 3.5 to 20 MeV and exhibited significant deviations in the low energy regime. The deduced surrogate 236U(n,f) cross section was determined as a function of the angle of the alpha particle ejectile in the direct reaction to explore different angular momentum population distributions in the compound nucleus and their effects on the extracted fission probabilities. The 236U(n,f) cross sections extracted using both the

  2. Absolute elastic differential electron scattering cross sections for He - A proposed calibration standard from 5 to 200 eV

    NASA Technical Reports Server (NTRS)

    Register, D. F.; Trajmar, S.; Srivastava, S. K.

    1980-01-01

    Absolute differential, integral, and momentum-transfer cross sections for electrons elastically scattered from helium are reported for the impact energy range of 5 to 200 eV. Angular distributions for elastically scattered electrons are measured in a crossed-beam geometry using a collimated, differentially pumped atomic-beam source which requires no effective-path-length correction. Below the first inelastic threshold the angular distributions were placed on an absolute scale by use of a phase-shift analysis. Above this threshold, the angular distributions from 10 to 140 deg were fitted using the phase-shift technique, and the resulting integral cross sections were normalized to a semiempirically derived integral elastic cross section. Depending on the impact energy, the data are estimated to be accurate to within 5 to 9%.

  3. Absolute cross sections for dissociative electron attachment to HCN and DCN

    SciTech Connect

    May, O.; Kubala, D.; Allan, M.

    2010-07-15

    Absolute partial cross sections for the formation of CN{sup -} in dissociative electron attachment to HCN and DCN have been measured using a time-of-flight ion spectrometer combined with a trochoidal electron monochromator to be 940pm{sup 2} for CN{sup -}/HCN and 340pm{sup 2} for CN{sup -}/DCN at peaks of the bands due to the {sup 2{Pi}}-shape resonance. The dissociative electron attachment bands were then recorded under higher resolution, 60 meV, with a trochoidal monochromator plus quadrupole mass filter combination and found to have a nearly vertical onset at the threshold energy and to peak at 1.85 eV. Broad structure was observed on the bands, assigned to formation of vibrationally excited CN{sup -}, from which the branching ratios could be determined to be 1,0.49, and 0.22 for the formation of CN{sup -} in the v=0,1, and 2 states, respectively. The results are compared to the recent multidimensional ab initio calculations of Chourou and Orel [Phys. Rev. A 80, 032709 (2009)].

  4. Supplementary absolute differential cross sections for the excitation of atomic hydrogen's n=3 and 4 levels by electron impact

    SciTech Connect

    Sweeney, Christopher J.; Shyn, Tong W.; Grafe, Alan

    2004-05-01

    We have conducted measurements of absolute differential cross sections for the excitation of hydrogen atoms to their n=3(3S+3P+3D) and 4(4S+4P+4D+4F) levels. A modulated, crossed-beam method was employed, and the impact energies were 40 and 60 eV. Comparison of our results with those of others is quite favorable.

  5. ScaRaB: first results of absolute and cross calibration

    NASA Astrophysics Data System (ADS)

    Trémas, Thierry L.; Aznay, Ouahid; Chomette, Olivier

    2015-10-01

    ScaRaB (SCAnner for RAdiation Budget) is the name of three radiometers whose two first flight models have been launched in 1994 and 1997. The instruments were mounted on-board Russian satellites, METEOR and RESURS. On October 12th 2011, a last model has been launched from the Indian site of Sriharikota. ScaRaB is a passenger of MEGHA-TROPIQUES, an Indo-French joint Satellite Mission for studying the water cycle and energy exchanges in the tropics. ScaRaB is composed of four parallel and independent channels. Channel-2 and channel-3 are considered as the main ones. Channel-1 is dedicated to measure solar radiance (0.5 to 0.7 μm) while channel-4 (10 to 13 μm) is an infrared window. The absolute calibration of ScaRab is assured by internal calibration sources (black bodies and a lamp for channel-1). However, during the commissioning phase, the lamp used for the absolute calibration of channel-1 revealed to be inaccurate. We propose here an alternative calibration method based on terrestrial targets. Due to the spectral range of channel-1, only calibration over desert sites (temporal monitoring) and clouds (cross band) is suitable. Desert sites have been widely used for sensor calibration since they have a stable spectral response over time. Because of their high reflectances, the atmospheric effect on the upward radiance is relatively minimal. In addition, they are spatially uniform. Their temporal instability without atmospheric correction has been determined to be less than 1-2% over a year. Very-high-altitude (10 km) bright clouds are good validation targets in the visible and near-infrared spectra because of their high spectrally consistent reflectance. If the clouds are very high, there is no need to correct aerosol scattering and water vapor absorption as both aerosol and water vapor are distributed near the surface. Only Rayleigh scattering and ozone absorption need to be considered. This method has been found to give a 4% uncertainty. Radiometric cross

  6. Near Infrared Absolute Photometry of Saturn's Satellites at Ring Plane Crossing

    NASA Astrophysics Data System (ADS)

    Momary, T. W.; Baines, K. H.; Yanamandra-Fisher, P. A.; Buratti, B. J.; Lebofsky, L. A.

    1999-09-01

    Absolutely-calibrated multispectral photometry of nine Saturnian satellites, including the leading side of Enceladus, are presented for canonical near-infrared filters. The satellites were observed during Ring Plane Crossing in August/September 1995 with the NSFCAM instrument at the NASA/IRTF. Observations were contemporaneous with those of the Uranian system, acquired by Baines et al. (Icarus 132, 266-284, 1998), using the same instrument and filters. Results are reported for J, H, and K filters near 1.27, 1.62, and 2.20 microns, and two filters centerd at 1.73 and 2.27 microns. We find that the spectrum and absolute brightness of Enceladus is consistent with fresh water ice, relatively uncontaminated by the kinds of low albedo, spectrally neutral materials found in the Uranian system. The satellite's peak brightness is at 1.27 microns with a geometric albedo of 0.904 +/- 0.063, in contrast to the Uranian satellites Miranda, Ariel, and Titania, which are one third as bright at this wavelength. The J-H band depth of Enceladus is about 30% contrasting with the darker Uranian satellites' J-H band depth of less than 10%. Enceladus shows a large near-infrared opposition surge of 0.0817 mag /degree between 3.51 deg and 0.39 deg solar phase, perhaps consistent with a surface coated with highly backscattering fresh water-ice frost. Dione, Janus, and Epimetheus have brighter leading sides than trailing. The opposite is true for Enceladus, consistent with 0.89 micron measurements of Buratti et al. (Icarus, 136, 223-231, 1998) and with the suggestion by Showalter et al. (Icarus, 94, 451-473, 1991) that negatively charged E-ring particles would preferentially impact Enceladus' trailing side. Finally, our 2.27 micron albedos for Prometheus, Janus, Epimetheus, Mimas, Tethys, Dione, Rhea, and Hyperion, as well as Enceladus, are comparable to the visible albedos reported by Buratti and Veverka (Icarus, 58, 254-264, 1984).

  7. Measurements of absolute total and partial cross sections for the electron ionization of tungsten hexafluoride (WF6)

    NASA Astrophysics Data System (ADS)

    Basner, R.; Schmidt, M.; Becker, K.

    2004-04-01

    We measured absolute partial cross sections for the formation of positive ions followed by electron impact on tungsten hexafluoride (WF6) from threshold to 900 eV using a time-of-flight mass spectrometer (TOF-MS). Dissociative ionization processes resulting in seven different singly charged ions (F+, W+, WFx+, x=1-5) and five doubly charged ions (W2+, WFx2+, x=1-4) were found to be the dominant ionization channels. The ion spectrum at all impact energies is dominated by WF5+ fragment ions. At 120 eV impact energy, the partial WF5+ ionization cross section has a maximum value of 3.92×10-16 cm2 that corresponds to 43% of the total ion yield. The cross section values of all the other singly charged fragment ions at 120 eV range between 0.39×10-16 and 0.73×10-16 cm2. The ionization cross sections of the doubly charged ions are more than one order of magnitude lower than the cross section of WF5+. Double ionization processes account for 21% of the total ion yield at 120 eV. The absolute total ionization cross section of WF6 was obtained as the sum of all measured partial ionization cross sections and is compared with available calculated cross sections.

  8. Absolute quantification of genetically modified MON810 maize (Zea mays L.) by digital polymerase chain reaction.

    PubMed

    Corbisier, Philippe; Bhat, Somanath; Partis, Lina; Xie, Vicki Rui Dan; Emslie, Kerry R

    2010-03-01

    Quantitative analysis of genetically modified (GM) foods requires estimation of the amount of the transgenic event relative to an endogenous gene. Regulatory authorities in the European Union (EU) have defined the labelling threshold for GM food on the copy number ratio between the transgenic event and an endogenous gene. Real-time polymerase chain reaction (PCR) is currently being used for quantification of GM organisms (GMOs). Limitations in real-time PCR applications to detect very low number of DNA targets has led to new developments such as the digital PCR (dPCR) which allows accurate measurement of DNA copies without the need for a reference calibrator. In this paper, the amount of maize MON810 and hmg copies present in a DNA extract from seed powders certified for their mass content and for their copy number ratio was measured by dPCR. The ratio of these absolute copy numbers determined by dPCR was found to be identical to the ratios measured by real-time quantitative PCR (qPCR) using a plasmid DNA calibrator. These results indicate that both methods could be applied to determine the copy number ratio in MON810. The reported values were in agreement with estimations from a model elaborated to convert mass fractions into copy number fractions in MON810 varieties. This model was challenged on two MON810 varieties used for the production of MON810 certified reference materials (CRMs) which differ in the parental origin of the introduced GM trait. We conclude that dPCR has a high metrological quality and can be used for certifying GM CRMs in terms of DNA copy number ratio.

  9. Absolute Rayleigh scattering cross sections of gases and freons of stratospheric interest in the visible and ultraviolet regions

    NASA Technical Reports Server (NTRS)

    SHARDANAND; Rao, A. D. P.

    1977-01-01

    The laboratory measurements of absolute Rayleigh scattering cross sections as a function wavelength are reported for gas molecules He, Ne, Ar, N2, H2, O2, CO2, CH4 and for vapors of most commonly used freons CCl2F2, CBrF3, CF4, and CHClf2. These cross sections are determined from the measurements of photon scattering at an angle of 54 deg 44 min which yield the absolute values independent of the value of normal depolarization ratios. The present results show that in the spectral range 6943-3638A deg, the values of the Rayleigh scattering cross section can be extrapolated from one wavelength to the other using 1/lambda (4) law without knowing the values of the polarizabilities. However, such an extrapolation can not be done in the region of shorter wavelengths.

  10. Absolute total and partial cross sections for ionization of nucleobases by proton impact in the Bragg peak velocity range

    SciTech Connect

    Tabet, J.; Eden, S.; Feil, S.; Abdoul-Carime, H.; Farizon, B.; Farizon, M.; Ouaskit, S.; Maerk, T. D.

    2010-08-15

    We present experimental results for proton ionization of nucleobases (adenine, cytosine, thymine, and uracil) based on an event-by-event analysis of the different ions produced combined with an absolute target density determination. We are able to disentangle in detail the various proton ionization channels from mass-analyzed product ion signals in coincidence with the charge-analyzed projectile. In addition we are able to determine a complete set of cross sections for the ionization of these molecular targets by 20-150 keV protons including the total and partial cross sections and the direct-ionization and electron-capture cross sections.

  11. Measurement of the absolute Raman cross section of the optical phonon in silicon

    NASA Astrophysics Data System (ADS)

    Aggarwal, R. L.; Farrar, L. W.; Saikin, S. K.; Aspuru-Guzik, A.; Stopa, M.; Polla, D. L.

    2011-04-01

    The absolute Raman cross section σ of the first-order 519 cm -1 optical phonon in silicon was measured using a small temperature-controlled blackbody for the signal calibration of the Raman system. Measurements were made with a 25-mil thick (001) silicon sample located in the focal plane of a 20-mm effective focal length (EFL) lens using 785-, 1064-, and 1535-nm CW pump lasers for the excitation of Raman scattering. The pump beam was polarized along the [100] axis of the silicon sample. Values of 1.0±0.2×10 -27, 3.6±0.7×10 -28, and 1.1±0.2×10 -29 cm 2 were determined for σ for 785-, 1064-, and 1535-nm excitation, respectively. The corresponding values of the Raman scattering efficiency S are 4.0±0.8×10 -6, 1.4±0.3×10 -6, and 4.4±0.8×10 -8 cm -1 sr -1.The values of the Raman polarizability |d| for 785-, 1064-, and 1535-nm excitation are 4.4±0.4×10 -15, 5.1±0.5×10 -15, and 1.9±0.2×10 -15 cm 2, respectively. The values of 4.4±0.4×10 -15 and 5.1±0.5×10 -15 cm 2 for |d| for 785- and 1064-nm excitation, respectively, are 1.3 and 2.0 times larger than the values of 3.5×10 -15 and 2.5×10 -15 cm 2 calculated by Wendel. The Raman polarizability |d| computed using the density functional theory in the long-wavelength limit is consistent with the general trend of the measured data and Wendel's model.

  12. Validation of absolute axial neutron flux distribution calculations with MCNP with 197Au(n,γ)198Au reaction rate distribution measurements at the JSI TRIGA Mark II reactor.

    PubMed

    Radulović, Vladimir; Štancar, Žiga; Snoj, Luka; Trkov, Andrej

    2014-02-01

    The calculation of axial neutron flux distributions with the MCNP code at the JSI TRIGA Mark II reactor has been validated with experimental measurements of the (197)Au(n,γ)(198)Au reaction rate. The calculated absolute reaction rate values, scaled according to the reactor power and corrected for the flux redistribution effect, are in good agreement with the experimental results. The effect of different cross-section libraries on the calculations has been investigated and shown to be minor.

  13. Phenomenological barrier parameters for total reaction cross section

    NASA Astrophysics Data System (ADS)

    Phookan, C. K.; Kalita, K.

    2016-01-01

    A phenomenological formula for total reaction cross section is introduced for reactions induced by three types of projectiles. The formula is based on Wong's formula in which, the barrier parameters are calculated from the Bass, Aage Winther and the Akyuz Winther potentials. For the reactions studied, we find that a uniform correction of the barrier parameters can account for the total reaction cross section satisfactorily. An unusually large deviation of the barrier parameters is noticed for the reaction {}8{B} + {}^{58}{Ni}. Arguments are given that most likely the radius of the proton halo nucleus {}8{B} is not well accounted by the above potentials and hence, an increase in the effective radius of {}^8{B} is proposed. Analysis is also presented for the reaction {}^{11}{Li} + {}^{208}{Pb} by making the assumption that its reduced total reaction cross section lies on the same trajectory as that for other halo reactions.

  14. Absolute cross sections for electronic excitation of condensed tetrahydrofuran (THF) by 11-16 eV electrons.

    PubMed

    Lemelin, V; Bass, A D; Cloutier, P; Sanche, L

    2016-11-07

    Absolute cross section (CS) data on the interaction of low energy electrons with DNA and its molecular constituents are required as input parameters in Monte-Carlo type simulations, for several radiobiological applications. Previously [V. Lemelin et al., J. Chem. Phys. 144, 074701 (2016)], we measured absolute vibrational CSs for low-energy electron scattering from condensed tetrahydrofuran, a convenient surrogate for the deoxyribose. Here we report absolute electronic CSs for energy losses of between 6 and 11.5 eV, by electrons with energies between 11 and 16 eV. The variation of these CSs with incident electron energy shows no evidence of transient anion states, consistent with theoretical and other experimental results, indicating that initial electron capture leading to DNA strand breaks occurs primarily on DNA bases or the phosphate group.

  15. Absolute cross sections for electronic excitation of condensed tetrahydrofuran (THF) by 11-16 eV electrons

    NASA Astrophysics Data System (ADS)

    Lemelin, V.; Bass, A. D.; Cloutier, P.; Sanche, L.

    2016-11-01

    Absolute cross section (CS) data on the interaction of low energy electrons with DNA and its molecular constituents are required as input parameters in Monte-Carlo type simulations, for several radiobiological applications. Previously [V. Lemelin et al., J. Chem. Phys. 144, 074701 (2016)], we measured absolute vibrational CSs for low-energy electron scattering from condensed tetrahydrofuran, a convenient surrogate for the deoxyribose. Here we report absolute electronic CSs for energy losses of between 6 and 11.5 eV, by electrons with energies between 11 and 16 eV. The variation of these CSs with incident electron energy shows no evidence of transient anion states, consistent with theoretical and other experimental results, indicating that initial electron capture leading to DNA strand breaks occurs primarily on DNA bases or the phosphate group.

  16. Absolute cross sections for electronic excitation of condensed tetrahydrofuran (THF) by 11–16 eV electrons

    PubMed Central

    Lemelin, V.; Bass, A. D.; Cloutier, P.; Sanche, L.

    2016-01-01

    Absolute cross section (CS) data on the interaction of low energy electrons with DNA and its molecular constituents are required as input parameters in Monte-Carlo type simulations, for several radiobiological applications. Previously [V. Lemelin et al., J. Chem. Phys. 144, 074701 (2016)], we measured absolute vibrational CSs for low-energy electron scattering from condensed tetrahydrofuran, a convenient surrogate for the deoxyribose. Here we report absolute electronic CSs for energy losses of between 6 and 11.5 eV, by electrons with energies between 11 and 16 eV. The variation of these CSs with incident electron energy shows no evidence of transient anion states, consistent with theoretical and other experimental results, indicating that initial electron capture leading to DNA strand breaks occurs primarily on DNA bases or the phosphate group. PMID:27825202

  17. Measurements of absolute M-subshell X-ray production cross sections of Th by electron impact

    NASA Astrophysics Data System (ADS)

    Moy, A.; Merlet, C.; Dugne, O.

    2014-08-01

    Measurements of absolute M-subshell X-ray production cross sections for element Th were made by electron impact for energies ranging from the ionization threshold up to 38 keV. Experimental data were obtained by measuring the X-ray intensity emitted from ultrathin Th films deposited onto self-supporting C backing films. The measurements were conducted with an electron microprobe using high-resolution wavelength dispersive spectrometers. Recorded intensities were converted into absolute X-ray production cross sections by means of atomic data and estimation of the number of primary electrons, target thickness, and detector efficiency. Our experimental X-ray production cross sections, the first to be reported for the M subshells of Th, are compared with X-ray production cross sections calculated with the mean of ionization cross sections obtained from the distorted-wave Born approximation. The Mα X-ray production cross section calculated is in excellent agreement with the measurements, allowing future use for standardless quantification in electron probe microanalysis.

  18. Surrogate Nuclear Reactions - An Indirect Method for Determining Reaction Cross Sections

    SciTech Connect

    Escher, J; Ahle, L; Bernstein, L; Burke, J; Church, J A; Dietrich, F; Forssen, C; Hoffman, R; Gueorguiev, V

    2005-03-23

    An indirect method for determining cross sections of reactions proceeding through a compound nucleus is presented. Some applications of the Surrogate nuclear reaction approach are considered and challenges that need to be addressed are outlined.

  19. General Constraints on Cross Sections Deduced from Surrogate Reactions

    SciTech Connect

    Younes, W

    2003-08-14

    Cross sections that cannot be measured in the laboratory, e.g. because the target lifetime is too short, can be inferred indirectly from a different reaction forming the same compound system, but with a more accessible beam/target combination (the ''surrogate-reaction'' technique). The reactions share the same compound system and a common decay mechanism, but they involve different formation processes. Therefore, an implicit constraint is imposed on the inferred cross section deduced from the measured surrogate-reaction data, through the common decay mechanism. In this paper, the mathematical consequences of this implicit constraint are investigated. General formulas are derived from upper and lower bounds on the inferred cross section, estimated from surrogate data in a procedure which does not require any modeling of the common decay process. As an example, the formulas developed here are applied to the case of the {sup 235}U(n,f) cross section, deduced from {sup 234}U(t,pf) surrogate data. The calculated bounds are not very tight in this particular case. However, by introducing a few qualitative assumptions about the physics of the fission process, meaningful bounds on the deduced cross section are obtained. Upper and lower limits for the cross-section ratio of the (n,f) reaction on the {sup 235}U isomer at E{sub x} = 77 eV relative to the (n,f) reaction on the ground state are also calculated. The generalization of this technique to other surrogate reactions is discussed.

  20. Absolute cross sections for electronic excitations of cytosine by low energy electron impact

    PubMed Central

    Bazin, M.; Michaud, M.; Sanche, L.

    2013-01-01

    The absolute cross sections (CS) for electronic excitations of cytosine by electron impact between 5 and 18 eV were measured by electron-energy loss (EEL) spectroscopy of the molecule deposited at low coverage on an inert Ar substrate. The lowest EEL features found at 3.55 and 4.02 eV are ascribed to transitions from the ground state to the two lowest triplet 1 3A′(π→π*) and 2 3A′(π→π*) valence states of the molecule. Their energy dependent CS exhibit essentially a common maximum at about 6 eV with a value of 1.84 × 10−17 cm2 for the former and 4.94 × 10−17 cm2 for the latter. In contrast, the CS for the next EEL feature at 4.65 eV, which is ascribed to the optically allowed transition to the 2 1A′(π→π*) valence state, shows only a steep rise to about 1.04 × 10−16 cm2 followed by a monotonous decrease with the incident electron energy. The higher EEL features at 5.39, 6.18, 6.83, and 7.55 eV are assigned to the excitations of the 3 3, 1A′(π→π*), 4 1A′(π→π*), 5 1A′(π→π*), and 6 1A′(π→π*) valence states, respectively. The CS for the 3 3, 1A′ and 4 1A′ states exhibit a common enhancement at about 10 eV superimposed on a more or less a steep rise, reaching respectively a maximum of 1.27 and 1.79 × 10−16 cm2, followed by a monotonous decrease. This latter enhancement and the maximum seen at about 6 eV in the lowest triplet states correspond to the core-excited electron resonances that have been found by dissociative electron attachment experiments with cytosine in the gas phase. The weak EEL feature found at 5.01 eV with a maximum CS of 3.8 × 10−18 cm2 near its excitation threshold is attributed to transitions from the ground state to the 1 3, 1A″(n→π*) states. The monotonous rise of the EEL signal above 8 eV is attributed to the ionization of the molecule. It is partitioned into four excitation energy regions at about 8.55, 9.21, 9.83, and 11.53 eV, which correspond closely to the ionization energies of

  1. Absolute Total Photoionization Cross Section of C60 in the Range of 25-120 eV: Revisited

    NASA Astrophysics Data System (ADS)

    Kafle, Bhim P.; Katayanagi, Hideki; Prodhan, Md. Serajul I.; Yagi, Hajime; Huang, Chaoqun; Mitsuke, Koichiro

    2008-01-01

    The absolute total photoionization cross section σabs,I of gaseous C60 is measured in the photon energy hν range from 25 to 120 eV by photoionization mass spectrometry with synchrotron radiation. The absolute detection efficiencies of photoions in different charge states are evaluated. The present σabs,I curve is combined with the photoabsorption cross section curves of C60 at hν=3.5--26 eV in the literature, after appropriate alterations of the vapor pressure are taken into account. The oscillator strengths are computed from the composite curve to be 178.5 and 230.5 for the hν ranges from 3.5 to 40.8 eV and from 3.5 to 119 eV, respectively. These oscillator strengths agree well with those expected from the Thomas-Kuhn-Reiche sum rule and 60 times the photoabsorption cross section of a carbon atom. Moreover, the present σabs,I curve behaves similarly to the relative photoionization cross section curve reported by Reinköster et al.

  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. The recent absolute total np and pp cross section determinations: quality of data description and prediction of experimental observables

    SciTech Connect

    Laptev, Alexander B; Haight, Robert C; Arndt, Richard A; Briscoe, William J; Paris, Mark W; Strakovsky, Igor I; Workman, Ron L

    2010-01-01

    The absolute total cross sections for np and pp scattering below 1000 MeV are determined based on partial-wave analyses (PWAs) of nucleon-nucleon scattering data. These cross sections are compared with the most recent ENDF/B-VII.0 and JENDL-3.3 data files, and the Nijmegen PWA. Systematic deviations from the ENDF/B-VII.0 and JENDL-3.3 evaluations are found to exist in the low-energy region. Comparison of the np evaluation with the result of most recent np total and differential cross section measurements will be discussed. Results of those measurements were not used in the evaluation database. A comparison was done to check a quality of evaluation and its capabilities to predict experimental observables. Excellent agreement was found between the new experimental data and our PWA predictions.

  4. Absolute elastic differential electron scattering cross sections in the intermediate energy region. III - SF6 and UF6

    NASA Technical Reports Server (NTRS)

    Srivastava, S. K.; Trajmar, S.; Chutjian, A.; Williams, W.

    1976-01-01

    A recently developed technique has been used to measure the ratios of elastic differential electron scattering cross sections (DCS) for SF6 and UF6 to those of He at electron impact energies of 5, 10, 15, 20, 30, 40, 50, 60, and 75 eV and at scattering angles of 20 to 135 deg. In order to obtain the absolute values of DCS from these ratios, He DCS of McConkey and Preston have been employed in the 20 to 90 deg range. At angles in the 90 to 135 deg range the recently determined cross sections of Srivastava and Trajmar have been utilized. From these DCS, elastic integral and momentum transfer cross sections have been obtained.

  5. Absolute rate parameters for the reaction of ground state atomic oxygen with carbonyl sulfide

    NASA Technical Reports Server (NTRS)

    Klemm, R. B.; Stief, L. J.

    1974-01-01

    The rate parameters for the reaction of O(3P) with carbonyl sulfide, O(3P) + OCS yields CO + SO, have been determined directly by monitoring O(3P) using the flash photolysis-resonance fluorescence technique. The value for reaction rate was measured over a temperature range of 263-502 K and the data were fitted to an Arrhenius expression with good linearity. A comparison of the present results with those from previous studies of this reaction is also presented.

  6. Dissociative Recombination and Excitation of CH{sup {plus}} {sub 5} : Absolute Cross Sections and Branching Fractions

    SciTech Connect

    Semaniak, J.; Larson, A.; Le Padellec, A.; Stroemholm, C.; Larsson, M.; Rosen, S.; Peverall, R.; Danared, H.; Djuric, N.; Dunn, G.H.; Datz, S.

    1998-05-01

    The heavy-ion storage ring CRYRING was used to measure the absolute dissociative recombination and dissociative excitation cross sections for collision energies below 50 eV. Deduced thermal rates coefficients are consistent with previous beams data but are lower by a factor of 3 than the rates measured by means of the flowing afterglow Langmuir probe technique. A resonant structure in dissociative recombination cross section was found at 9 eV. We have determined the branching fractions in DR of CH{sup {plus}} {sub 5} below 0.2 eV. The branching is dominated by three-body CH{sub 3} + H + H and CH{sub 2} + H{sub 2} + H dissociation channels, which occur with branching ratios of {approx}0.7 and {approx}0.2, respectively; thus methane is a minor species among dissociation products. Both the measured absolute cross sections and branching in dissociative recombination of CH{sup {plus}} {sub 5} can have important implications for the models of dense interstellar clouds and abundance of CH{sub 2}, CH{sub 3} and CH{sub 4} in these media. {copyright} {ital {copyright} 1998.} {ital The American Astronomical Society}

  7. Absolute rate constant of the reaction between chlorine /2P/ atoms and hydrogen peroxide from 298 to 424 K

    NASA Technical Reports Server (NTRS)

    Keyser, L. F.

    1980-01-01

    The absolute rate constant of the reaction between chlorine (2P) atoms and hydrogen peroxide was determined from 298 to 424 K, using the discharge flow resonance fluorescence technique. Pseudo-first-order conditions were used with hydrogen peroxide in large excess. A fast flow-sampling procedure limited hydrogen peroxide decomposition to less than 5% over the temperature range studied. At 298 K, the rate constant is (4.1 plus or minus 0.2) x 10 to the minus 13th cu cm/molecule-sec.

  8. The reaction H + C4H2 - Absolute rate constant measurement and implication for atmospheric modeling of Titan

    NASA Technical Reports Server (NTRS)

    Nava, D. F.; Mitchell, M. B.; Stief, L. J.

    1986-01-01

    The absolute rate constant for the reaction H + C4H2 has been measured over the temperature (T) interval 210-423 K, using the technique of flash photolysis-resonance fluorescence. At each of the five temperatures employed, the results were independent of variations in C4H2 concentration, total pressure of Ar or N2, and flash intensity (i.e., the initial H concentration). The rate constant, k, was found to be equal to 1.39 x 10 to the -10th exp (-1184/T) cu cm/s, with an error of one standard deviation. The Arrhenius parameters at the high pressure limit determined here for the H + C4H2 reaction are consistent with those for the corresponding reactions of H with C2H2 and C3H4. Implications of the kinetic carbon chemistry results, particularly those at low temperature, are considered for models of the atmospheric carbon chemistry of Titan. The rate of this reaction, relative to that of the analogous, but slower, reaction of H + C2H2, appears to make H + C4H2 a very feasible reaction pathway for effective conversion of H atoms to molecular hydrogen in the stratosphere of Titan.

  9. The reaction H + C4H2 - Absolute rate constant measurement and implication for atmospheric modeling of Titan

    NASA Astrophysics Data System (ADS)

    Nava, D. F.; Mitchell, M. B.; Stief, L. J.

    1986-04-01

    The absolute rate constant for the reaction H + C4H2 has been measured over the temperature (T) interval 210-423 K, using the technique of flash photolysis-resonance fluorescence. At each of the five temperatures employed, the results were independent of variations in C4H2 concentration, total pressure of Ar or N2, and flash intensity (i.e., the initial H concentration). The rate constant, k, was found to be equal to 1.39 x 10 to the -10th exp (-1184/T) cu cm/s, with an error of one standard deviation. The Arrhenius parameters at the high pressure limit determined here for the H + C4H2 reaction are consistent with those for the corresponding reactions of H with C2H2 and C3H4. Implications of the kinetic carbon chemistry results, particularly those at low temperature, are considered for models of the atmospheric carbon chemistry of Titan. The rate of this reaction, relative to that of the analogous, but slower, reaction of H + C2H2, appears to make H + C4H2 a very feasible reaction pathway for effective conversion of H atoms to molecular hydrogen in the stratosphere of Titan.

  10. Experimental Investigation of Effect of Wall Suction on Cross-Flow Absolute Instability in a Rotating Disk Boundary Layer

    NASA Astrophysics Data System (ADS)

    Ho, Joanna; Corke, Thomas; Matlis, Eric

    2013-11-01

    The research is intended to investigate the effect of uniform suction on the absolute instability of Type I cross-flow modes on a rotating disk. Specifically it is designed to investigate if wall suction will transform the absolute instability into a global mode as postulated in the numerical simulations of Davies and Carpenter (2003). The disk is designed so that with a suction parameter of a = w /(νω) 1 / 2 = 0 . 4 , the radial location of the absolute instability critical Reynolds number, RCa = 803 , occurs on the disk. Uniform wall suction is applied from R = 449 to 919. The design for wall suction follows that of Gregory and Walker (1950), where an array of holes through the disk communicate between the measurement side of the disk and the underside of the disk in an enclosure that is maintained at a slight vacuum. The holes in the measurement surface are covered by a stretched silk cloth that provides a smooth, finely porous surface. A companion numerical simulation was performed to investigate the effect of the size and vacuum pressure of the underside enclosure on the uniformity of the measurement surface suction. Temporal disturbances are introduced using the method of Othman and Corke (2006), and the evolution of the resulting wave packets is documented.

  11. Absolute cross sections for electronic excitation of pyrimidine by electron impact

    SciTech Connect

    Regeta, Khrystyna; Allan, Michael; Mašín, Zdeněk; Gorfinkiel, Jimena D.

    2016-01-14

    We measured differential cross sections for electron-impact electronic excitation of pyrimidine, both as a function of electron energy up to 18 eV, and of scattering angle up to 180°. The emphasis of the present work is on recording detailed excitation functions revealing resonances in the excitation process. The differential cross sections were summed to obtain integral cross sections. These are compared to results of R-matrix calculations, which successfully reproduce both the magnitude of the cross section and the major resonant features. Comparison of the experiment to the calculated contributions of different symmetries to the integral cross section permitted assignment of several features to specific core-excited resonances. Comparison of the resonant structure of pyrimidine with that of benzene revealed pronounced similarities and thus a dominant role of π–π{sup ∗} excited states and resonances. Electron energy loss spectra were measured as a preparation for the cross section measurements and vibrational structure was observed for some of the triplet states. A detailed analysis of the electronic excited states of pyrimidine is also presented.

  12. Coulomb and nuclear effects in breakup and reaction cross sections

    NASA Astrophysics Data System (ADS)

    Descouvemont, P.; Canto, L. F.; Hussein, M. S.

    2017-01-01

    We use a three-body continuum discretized coupled channel (CDCC) model to investigate Coulomb and nuclear effects in breakup and reaction cross sections. The breakup of the projectile is simulated by a finite number of square integrable wave functions. First we show that the scattering matrices can be split in a nuclear term and in a Coulomb term. This decomposition is based on the Lippmann-Schwinger equation and requires the scattering wave functions. We present two different methods to separate both effects. Then, we apply this separation to breakup and reaction cross sections of 7Li+208Pb . For breakup, we investigate various aspects, such as the role of the α +t continuum, the angular-momentum distribution, and the balance between Coulomb and nuclear effects. We show that there is a large ambiguity in defining the Coulomb and nuclear breakup cross sections, since both techniques, although providing the same total breakup cross sections, strongly differ for the individual components. We suggest a third method which could be efficiently used to address convergence problems at large angular momentum. For reaction cross sections, interference effects are smaller, and the nuclear contribution is dominant above the Coulomb barrier. We also draw attention to different definitions of the reaction cross section which exist in the literature and which may induce small, but significant, differences in the numerical values.

  13. Pressure dependence of the absolute rate constant for the reaction OH + C2H2 from 228 to 413 K

    NASA Technical Reports Server (NTRS)

    Michael, J. V.; Nava, D. F.; Payne, W. A.; Stief, L. J.; Borkowski, R. P.

    1980-01-01

    The pressure dependence of the absolute rate constant for the reaction of the hydroxyl radical with acetylene, important in both atmospheric and combustion chemistry, is determined for temperatures between 228 and 413 K. The flash photolysis-resonance fluorescence technique was employed at five temperatures over wide ranges of pressure and acetylene concentrations, with the OH produced by water photolysis and hydroxyl resonance fluorescent photons measured by multiscaling techniques. Results indicate that, except at the lowest temperature, the bimolecular rate constant for the reaction depends strongly on total pressure, with the pressure effect becoming more pronounced with increasing temperature. At limiting high pressures, the rate constant is found to be equal to 6.83 + or - 1.19 x 10 to the -12th exp (-646 + or - 47/T) cu cm/molecule per sec, where T is the temperature. Results thus demonstrate the importance of environmental conditions in theoretical studies of atmospheric and combustion product compositions

  14. Absolute Charge Transfer and Fragmentation Cross Sections in He{sup 2+}-C{sub 60} Collisions

    SciTech Connect

    Rentenier, A.; Moretto-Capelle, P.; Bordenave-Montesquieu, D.; Bordenave-Montesquieu, A.; Ruiz, L. F.; Diaz-Tendero, S.; Alcami, M.; Martin, F.; Zarour, B.; Hanssen, J.; Hervieux, P.-A.; Politis, M. F.

    2008-05-09

    We have determined absolute charge transfer and fragmentation cross sections in He{sup 2+}+C{sub 60} collisions in the impact-energy range 0.1-250 keV by using a combined experimental and theoretical approach. We have found that the cross sections for the formation of He{sup +} and He{sup 0} are comparable in magnitude, which cannot be explained by the sole contribution of pure single and double electron capture but also by contribution of transfer-ionization processes that are important even at low impact energies. The results show that multifragmentation is important only at impact energies larger than 40 keV; at lower energies, sequential C{sub 2} evaporation is the dominant process.

  15. Cross-sensory mapping of feature values in the size-brightness correspondence can be more relative than absolute.

    PubMed

    Walker, Laura; Walker, Peter

    2016-01-01

    A role for conceptual representations in cross-sensory correspondences has been linked to the relative (context-sensitive) mapping of feature values, whereas a role for sensory-perceptual representations has been linked to their absolute (context-insensitive) mapping. Demonstrating the relative nature of the automatic mapping underlying a cross-sensory correspondence therefore offers one way of confirming its conceptual basis. After identifying several prerequisites for relative and absolute mappings, we provide the first compelling demonstration that an automatically induced congruity effect based on a cross-sensory correspondence (i.e., that between haptic size and visual brightness) can be largely contingent on the relative mapping of the 2 features, thereby implying a conceptual basis for the correspondence. Participants in a speeded classification task were faster to classify a visual stimulus as brighter or darker when this required them to press a hidden response key that, incidentally, was relatively small or big, respectively. Importantly, the same levels of brightness (Experiment 1) and key size (Experiment 2) at different times corresponded to contrasting levels of the other feature depending on the context provided by the alternative stimuli with which they appeared. For example, the same medium key was congruent with a brighter stimulus when paired with a bigger key, but was congruent with a darker stimulus when paired with a smaller key. Reflecting on the broader implications of this finding, it is noted that the involvement of cross-sensory correspondences in some forms of sound symbolism in language also requires the relative coding of stimulus features.

  16. Measuring Neutron-Induced Reaction Cross Sections without Neutrons

    NASA Astrophysics Data System (ADS)

    Bernstein, L. A.; Schiller, A.; Cooper, J. R.; Hoffman, R. D.; McMahan, M. A.; Fallon, P.; Macchiavelli, A. O.; Mitchell, G.; Tavukcu, E.; Guttormsen, M.

    2003-04-01

    Neutron-induced reactions on radioactive nuclei play a significant role in nuclear astrophysics and many other applied nuclear physics topics. However, the majority of these cross sections are impossible to measure due to the high-background of the targets and the low-intensity of neutron beams. We have explored the possibility of using charged-particle transfer reactions to form the same "pre-compound" nucleus as one formed in a neutron-induced reaction in order to measure the relative decay probabilities of the nucleus as a function of energy. Multiplying these decay probabilities by the neutron absorption cross section will then produce the equivalent neutron-induced reaction cross section. In this presentation I will explore the validity of this "surrogate reaction" technique by comparing results from the recent 157Gd(3He,axng)156-xGd experiment using STARS (Silicon Telescope Array for Reaction Studies) at GAMMASPHERE with reaction model calculations for the 155Gd(n,xng)156-xGd. This work was funded by the US Department of Energy under contracts number W-7405-ENG-48 (LLNL), AC03-76SF00098 (LBNL) and the Norwegian Research Council (Oslo).

  17. Reaction cross sections of the deformed halo nucleus 31Ne

    NASA Astrophysics Data System (ADS)

    Urata, Y.; Hagino, K.; Sagawa, H.

    2012-10-01

    Using the Glauber theory, we calculate reaction cross sections for the deformed halo nucleus 31Ne. To this end, we assume that the 31Ne nucleus takes the 30Ne+n structure. To take into account the rotational excitation of the core nucleus 30Ne, we employ the particle-rotor model (PRM). We compare the results to those in the adiabatic limit of PRM, that is, the Nilsson model, and show that the Nilsson model works reasonably well for the reaction cross sections of 31Ne. We also investigate the dependence of the reaction cross sections on the ground-state properties of 31Ne, such as the deformation parameter and the p-wave component in the ground-state wave function.

  18. A new technique for dosimetry reaction cross-section evaluation

    SciTech Connect

    Badikov, S.A.

    2011-07-01

    Document available in abstract form only, full text of document follows: An objective of this paper is a unification of the procedure for dosimetry reaction cross-section evaluation. A set of requirements for the unified evaluation procedure is presented. A new code (ORTHO) was developed in order to meet these requirements. A statistical model, an algorithm, and the basic formulae employed in the code are described. The code was used for Ti48(n,p) reaction cross-section evaluation. The results of the evaluation are compared to International Reactor Dosimetry File (IRDF)-2002 data. The evaluated cross-sections and their correlations from this work are in good agreement with the IRDF-2002 evaluated data, whereas the uncertainties of the evaluated cross-sections are inconsistent. (authors)

  19. Cross-ligation and exchange reactions catalyzed by hairpin ribozymes.

    PubMed Central

    Komatsu, Y; Koizumi, M; Sekiguchi, A; Ohtsuka, E

    1993-01-01

    The negative strand of the satellite RNA of tobacco ringspot virus (sTobRV(-)) contains a hairpin catalytic domain that shows self-cleavage and self-ligation activities in the presence of magnesium ions. We describe here that the minimal catalytic domain can catalyze a cross-ligation reaction between two kinds of substrates in trans. The cross-ligated product increased when the reaction temperature was decreased during the reaction from 37 degrees C to 4 degrees C. A two-stranded hairpin ribozyme, divided into two fragments between G45 and U46 in a hairpin loop, showed higher ligation activity than the nondivided ribozyme. The two stranded ribozyme also catalyzed an exchange reaction of the 3'-portion of the cleavage site. Images PMID:8441626

  20. Absolute rate of the reaction of bromine atoms with ozone from 200 to 360 K

    NASA Technical Reports Server (NTRS)

    Michael, J. V.; Lee, J. H.; Payne, W. A.; Stief, L. J.

    1978-01-01

    The rate constant for the reaction Br + O3 yields BrO + O2 has been measured from 200 to 360 K by the technique of flash photolysis coupled to time resolved detection of bromine atoms by resonance fluorescence (FP-RF). Br atoms were produced by the flash photolysis of CH3Br at a wavelength of 165 nm. O3 concentration was monitored continuously under reaction conditions by absorption at 253.7 nm. At each of five temperatures the results were independent of substantial variations in O3 concentration, total pressure (Ar), and limited variations in flash intensity (i.e., initial Br concentration). The measured rate constants obey the Arrhenius expression, k = (7.74 plus or minus 0.50) x 10 to the -12th exp(-603 plus or minus 16/T) cu cm/molecule/sec, where the error quoted is two standard deviations.

  1. Organoaluminum-mediated direct cross-coupling reactions.

    PubMed

    Minami, Hiroki; Saito, Tatsuo; Wang, Chao; Uchiyama, Masanobu

    2015-04-07

    We present a direct cross-coupling reaction between arylaluminum compounds (ArAlMe2 ⋅LiCl) and organic halides RX (R=aryl, alkenyl, alkynyl; X=I, Br, and Cl) without any external catalyst. The reaction takes place smoothly, simply upon heating, thereby enabling the efficient and chemo-/stereoselective formation of biaryl, alkene, and alkyne coupling products with broad functional group compatibility.

  2. Temperature and pressure dependence of the absolute rate constant for the reactions of NH2 radicals with acetylene and ethylene

    NASA Technical Reports Server (NTRS)

    Bosco, S. R.; Nava, D. F.; Brobst, W. D.; Stief, L. J.

    1984-01-01

    The absolute rate constants for the reaction between the NH2 free radical and acetylene and ethylene is measured experimentally using a flash photolysis technique. The constant is considered to be a function of temperature and pressure. At each temperature level of the experiment, the observed pseudo-first-order rate constants were assumed to be independent of flash intensity. The results of the experiment indicate that the bimolecular rate constant for the NH2 + C2H2 reaction increases with pressure at 373 K and 459 K but not at lower temperatures. Results near the pressure limit conform to an Arrhenius expression of 1.11 (+ or -) 0.36 x 10 to the -13th over the temperature range from 241 to 459 K. For the reaction NH2 + C2H4, a smaller rate of increase in the bimolecular rate constant was observed over the temperature range 250-465 K. The implications of these results for current theoretical models of NH2 + C2H2 (or H4) reactions in the atmospheres of Jupiter and Saturn are discussed.

  3. Absolute rate constants of alkoxyl radical reactions in aqueous solution. [Tert-butyl hydroperoxide

    SciTech Connect

    Erben-Russ, M.; Michel, C.; Bors, W.; Saran, M.

    1987-04-23

    The pulse radiolysis technique was used to generate the alkoxyl radical derived from tert-butyl hydroperoxide (/sup t/BuOOH) in aqueous solution. The reactions of this radical with 2,2'-azinobis(3-ethyl-6-benzothiazolinesulfonate) (ABTS) and promethazine were monitored by kinetic spectroscopy. The unimolecular decay rate constant of the tert-butoxyl radical (/sup t/BuO) was determined to be 1.4 x 10/sup 6/ s/sup -1/. On the basis of this value, the rate constants for /sup t/BuO attack on quercetin, crocin, crocetin, ascorbate, isoascorbate, trolox c, glutathione, thymidine, adenosine, guanosine, and unsaturated fatty acids were determined. In addition, the reaction of /sup t/BuO with the polyunsaturated fatty acids (PUFA) was observed by directly monitoring the formation of the fatty acid pentadienyl radicals. Interestingly, the attack of /sup t/BuO on PUFA was found to be faster by about one order of magnitude as compared to the same reaction in a nonpolar solvent.

  4. Measurement of the absolute vμ-CCQE cross section at the SciBooNE experiment

    SciTech Connect

    Aunion, Jose Luis Alcaraz

    2010-07-01

    This thesis presents the measurement of the charged current quasi-elastic (CCQE) neutrino-nucleon cross section at neutrino energies around 1 GeV. This measurement has two main physical motivations. On one hand, the neutrino-nucleon interactions at few GeV is a region where existing old data are sparse and with low statistics. The current measurement populates low energy regions with higher statistics and precision than previous experiments. On the other hand, the CCQE interaction is the most useful interaction in neutrino oscillation experiments. The CCQE channel is used to measure the initial and final neutrino fluxes in order to determine the neutrino fraction that disappeared. The neutrino oscillation experiments work at low neutrino energies, so precise measurement of CCQE interactions are essential for flux measurements. The main goal of this thesis is to measure the CCQE absolute neutrino cross section from the SciBooNE data. The SciBar Booster Neutrino Experiment (SciBooNE) is a neutrino and anti-neutrino scattering off experiment. The neutrino energy spectrum works at energies around 1 GeV. SciBooNE was running from June 8th 2007 to August 18th 2008. In that period, the experiment collected a total of 2.65 x 1020 protons on target (POT). This thesis has used full data collection in neutrino mode 0.99 x 1020 POT. A CCQE selection cut has been performed, achieving around 70% pure CCQE sample. A fit method has been exclusively developed to determine the absolute CCQE cross section, presenting results in a neutrino energy range from 0.2 to 2 GeV. The results are compatible with the NEUT predictions. The SciBooNE measurement has been compared with both Carbon (MiniBoonE) and deuterium (ANL and BNL) target experiments, showing a good agreement in both cases.

  5. Measurement of the absolute differential cross section of proton–proton elastic scattering at small angles

    DOE PAGES

    Mchedlishvili, D.; Chiladze, D.; Dymov, S.; ...

    2016-02-03

    The differential cross section for proton-proton elastic scattering has been measured at a beam kinetic energy of 1.0 GeV and in 200 MeV steps from 1.6 to 2.8 GeV for centre-of-mass angles in the range from 12°-16° to 25°-30°, depending on the energy. A precision in the overall normalisation of typically 3% was achieved by studying the energy losses of the circulating beam of the COSY storage ring as it passed repeatedly through the windowless hydrogen target of the ANKE magnetic spectrometer. It is shown that the data have a significant impact upon the results of a partial wave analysis.more » Furthermore, after extrapolating the differential cross sections to the forward direction, the results are broadly compatible with the predictions of forward dispersion relations.« less

  6. Measurement of the absolute differential cross section of proton–proton elastic scattering at small angles

    SciTech Connect

    Mchedlishvili, D.; Chiladze, D.; Dymov, S.; Bagdasarian, Z.; Barsov, S.; Gebel, R.; Gou, B.; Hartmann, M.; Kacharava, A.; Keshelashvili, I.; Khoukaz, A.; Kulessa, P.; Kulikov, A.; Lehrach, A.; Lomidze, N.; Lorentz, B.; Maier, R.; Macharashvili, G.; Merzliakov, S.; Mikirtychyants, S.; Nioradze, M.; Ohm, H.; Prasuhn, D.; Rathmann, F.; Serdyuk, V.; Schroer, D.; Shmakova, V.; Stassen, R.; Stein, H. J.; Stockhorst, H.; Strakovsky, I. I.; Stroher, H.; Tabidze, M.; Taschner, A.; Trusov, S.; Tsirkov, D.; Uzikov, Yu.; Valdau, Yu.; Wilkin, C.; Workman, R. L.; Wustner, P.

    2016-02-03

    The differential cross section for proton-proton elastic scattering has been measured at a beam kinetic energy of 1.0 GeV and in 200 MeV steps from 1.6 to 2.8 GeV for centre-of-mass angles in the range from 12°-16° to 25°-30°, depending on the energy. A precision in the overall normalisation of typically 3% was achieved by studying the energy losses of the circulating beam of the COSY storage ring as it passed repeatedly through the windowless hydrogen target of the ANKE magnetic spectrometer. It is shown that the data have a significant impact upon the results of a partial wave analysis. Furthermore, after extrapolating the differential cross sections to the forward direction, the results are broadly compatible with the predictions of forward dispersion relations.

  7. A water-swap reaction coordinate for the calculation of absolute protein-ligand binding free energies.

    PubMed

    Woods, Christopher J; Malaisree, Maturos; Hannongbua, Supot; Mulholland, Adrian J

    2011-02-07

    The accurate prediction of absolute protein-ligand binding free energies is one of the grand challenge problems of computational science. Binding free energy measures the strength of binding between a ligand and a protein, and an algorithm that would allow its accurate prediction would be a powerful tool for rational drug design. Here we present the development of a new method that allows for the absolute binding free energy of a protein-ligand complex to be calculated from first principles, using a single simulation. Our method involves the use of a novel reaction coordinate that swaps a ligand bound to a protein with an equivalent volume of bulk water. This water-swap reaction coordinate is built using an identity constraint, which identifies a cluster of water molecules from bulk water that occupies the same volume as the ligand in the protein active site. A dual topology algorithm is then used to swap the ligand from the active site with the identified water cluster from bulk water. The free energy is then calculated using replica exchange thermodynamic integration. This returns the free energy change of simultaneously transferring the ligand to bulk water, as an equivalent volume of bulk water is transferred back to the protein active site. This, directly, is the absolute binding free energy. It should be noted that while this reaction coordinate models the binding process directly, an accurate force field and sufficient sampling are still required to allow for the binding free energy to be predicted correctly. In this paper we present the details and development of this method, and demonstrate how the potential of mean force along the water-swap coordinate can be improved by calibrating the soft-core Coulomb and Lennard-Jones parameters used for the dual topology calculation. The optimal parameters were applied to calculations of protein-ligand binding free energies of a neuraminidase inhibitor (oseltamivir), with these results compared to experiment. These

  8. Cross sections and reaction rates of relevance to aeronomy

    SciTech Connect

    Fox, J.L. )

    1991-01-01

    Experimental and theoretical data relevant to models and measurements of the chemical and thermal structures and luminosity of the thermospheres of the earth and planets published during the last four years are surveyed. Among chemical processes, attention is given to ion-molecule reactions, dissociative recombination of molecular ions, and reactions between neutral species. Both reactions between ground state species and species in excited states are considered, including energy transfer and quenching. Measured and calculated cross sections for interactions of solar radiation with atmospheric species, such as photoabsorption, photoionization, and photodissociation and related processes are surveyed.

  9. Cross-reactivity and masqueraders in seafood reactions.

    PubMed

    Banks, Taylor A; Gada, Satyen M

    2013-01-01

    Confounding variables play a significant role in many adverse seafood reactions and a clear understanding of these factors is important in properly characterizing reactions associated with potential masqueraders and mimics. Although the medical literature is replete with reviews of seafood hypersensitivity and reports of cross-reactive and newly characterized allergens, there has not been a recent effort to provide an updated overview of the several processes that may lead clinicians to draw incorrect conclusions in evaluating reported reactions to seafood. Ranging from seafood intoxications to other nonallergic or complex seafood reactions, these events can easily be misconstrued as representing a seafood IgE-mediated allergy. Among these are the more familiar topics of cross-reactivity and scombroid intoxication, and those with a still evolving understanding such as ciguatera fish poisoning and Anisakis reactions. This article seeks to provide an accessible but comprehensive summary of the relevant information surrounding these confounders in assessing adverse reactions to seafood. Such knowledge may be instrumental in unraveling complex or otherwise unclear presentations and aid clinicians in accurately evaluating and managing patients with reported seafood reactions.

  10. Absolute rate constants for the reaction of atomic hydrogen with ketene from 298 to 500 K

    NASA Technical Reports Server (NTRS)

    Michael, J. V.; Nava, D. F.; Payne, W. A.; Stief, L. J.

    1979-01-01

    Rate constants for the reaction of atomic hydrogen with ketene have been measured at room temperature by two techniques, flash photolysis-resonance fluorescence and discharge flow-resonance fluorescence. The measured values are (6.19 + or - 1.68) x 10 to the -14th and (7.3 + or - 1.3) x 10 to the -14th cu cm/molecule/s, respectively. In addition, rate constants as a function of temperature have been measured over the range 298-500 K using the FP-RF technique. The results are best represented by the Arrhenius expression k = (1.88 + or - 1.12) x 10 to the -11th exp(-1725 + or - 190/T) cu cm/molecule/s, where the indicated errors are at the two standard deviation level.

  11. Absolute Charge Exchange Cross Sections for ^3He^2+ Collisions with ^4He and H_2

    NASA Astrophysics Data System (ADS)

    Mawhorter, R. J.; Greenwood, J.; Smith, S. J.; Chutjian, A.

    2002-05-01

    The JPL charge exchange beam-line(J.B. Greenwood, et al., Phys. Rev A 63), 062707 (2001) was modified to increase the forward acceptance angle and enable the measurement of total charge-exchange cross sections for slow, light, highly-charged ion collisions with neutral targets(R. E. Olson and M. Kimura, J. Phys. B 15), 4231 (1982). Data are presented for single charge exchange cross sections for ^3He^2+ nuclei scattered by ^4He and H2 in the energy range 0.33-4.67 keV/amu. For both targets there is good agreement with Kusakabe, et al.(T. Kusakabe, et al., J. Phys. Soc. Japan 59), 1218 (1990). Angular collection is studied by a comparison with differential measurements(D. Bordenave-Montesquieu and R. Dagnac, J. Phys. B 27), 543 (1994), as well as with earlier JPL results(J.B. Greenwood, et al., Ap. J. 533), L175 (2000), ibid. 529, 605 (2000) using heavier projectiles and targets. This work was carried out at JPL/Caltech, and was supported through contract with NASA. RJM thanks the NRC for a Senior Associateship at JPL.

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

    SciTech Connect

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

    2012-11-15

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

  13. Absolute differential cross sections for the elastic scattering of electrons from atomic hydrogen at low incident energies

    NASA Astrophysics Data System (ADS)

    James, Kenneth; Leonard, Linda; Proctor, Stephanie; Childers, J. G.; Khakoo, Murtadha A.

    2003-05-01

    Absolute differential cross sections for electrons elastically scattered from atomic hydrogen have been measured at low incident energies. The measurements were facilitated by the moveable nozzle source recently developed in our lab. Data taken at the incident energies of 20 eV, 40 eV, and 100 eV, and spanning the angular range of 10^rc to 120^rc will be presented. The results will be compared to the earlier measurements of Williams(Joseph Callaway and J. F. Williams, Phys. Rev. A) 12, 2312 (1975), J. F. Williams, J. Phys. B 8, 2191 (1975) and Shyn(T. W. Shyn and S. Y. Cho, Phys. Rev. A) 40, 1315 (1989), T. W. Shyn and Alan Grafe, Phys. Rev. A 46, 2949 (1992), and the theoretical calculations of Bray(Igor Bray, Phys. Rev. A) 46, 6995 (1992). Funded by the National Science Foundation under Grant # NSF-RUI-PHY-0096808.

  14. Using DNA origami nanostructures to determine absolute cross sections for UV photon-induced DNA strand breakage.

    PubMed

    Vogel, Stefanie; Rackwitz, Jenny; Schürman, Robin; Prinz, Julia; Milosavljević, Aleksandar R; Réfrégiers, Matthieu; Giuliani, Alexandre; Bald, Ilko

    2015-11-19

    We have characterized ultraviolet (UV) photon-induced DNA strand break processes by determination of absolute cross sections for photoabsorption and for sequence-specific DNA single strand breakage induced by photons in an energy range from 6.50 to 8.94 eV. These represent the lowest-energy photons able to induce DNA strand breaks. Oligonucleotide targets are immobilized on a UV transparent substrate in controlled quantities through attachment to DNA origami templates. Photon-induced dissociation of single DNA strands is visualized and quantified using atomic force microscopy. The obtained quantum yields for strand breakage vary between 0.06 and 0.5, indicating highly efficient DNA strand breakage by UV photons, which is clearly dependent on the photon energy. Above the ionization threshold strand breakage becomes clearly the dominant form of DNA radiation damage, which is then also dependent on the nucleotide sequence.

  15. Absolute vibrational cross sections for 1-19 eV electron scattering from condensed tetrahydrofuran (THF)

    NASA Astrophysics Data System (ADS)

    Lemelin, V.; Bass, A. D.; Cloutier, P.; Sanche, L.

    2016-02-01

    Absolute cross sections (CSs) for vibrational excitation by 1-19 eV electrons impacting on condensed tetrahydrofuran (THF) were measured with a high-resolution electron energy loss spectrometer. Experiments were performed under ultra-high vacuum (3 × 10-11 Torr) at a temperature of about 20 K. The magnitudes of the vibrational CSs lie within the 10-17 cm2 range. Features observed near 4.5, 9.5, and 12.5 eV in the incident energy dependence of the CSs were compared to the results of theoretical calculations and other experiments on gas and solid-phase THF. These three resonances are attributed to the formation of shape or core-excited shape resonances. Another maximum observed around 2.5 eV is not found in the calculations but has been observed in gas-phase studies; it is attributed to the formation of a shape resonance.

  16. Palladium-catalyzed cross-coupling reactions of silanolates: a paradigm shift in silicon-based cross-coupling reactions.

    PubMed

    Denmark, Scott E; Baird, John D

    2006-06-23

    This paper chronicles the conceptual development, proof of principle experiments, and recent advances in the palladium-catalyzed cross-coupling reactions of the conjugate bases of organosilanols. The discovery that led to the design and refinement of this process represents a classical illustration of how mechanistic studies can provide a fertile ground for the invention of new reactions. On the basis of a working hypothesis (which ultimately proved to be incorrect) and the desire to effect silicon-based cross-coupling without the agency of fluoride activation, a mild and practical palladium-catalyzed cross-coupling of alkenyl-, aryl-, and heteroaryl silanolates has been developed. The mechanistic underpinnings, methodological extensions, and the successful applications of this technology to the synthesis of complex molecules are described.

  17. Enhanced Olefin Cross Metathesis Reactions: The Copper Iodide Effect

    PubMed Central

    Voigtritter, Karl; Ghorai, Subir

    2011-01-01

    Copper iodide has been shown to be an effective co-catalyst for the olefin cross metathesis reaction. In particular, it has both a catalyst stabilizing effect due to iodide ion, as well as copper(I)-based phosphine-scavenging properties that apply to use of the Grubbs-2 catalyst. A variety of Michael acceptors and olefinic partners can be cross-coupled under mild conditions in refluxing diethyl ether that avoid chlorinated solvents. This effect has also been applied to chemistry in water at room temperature using the new surfactant TPGS-750-M. PMID:21528868

  18. Photoionization of Ne Atoms and Ne+ Ions Near the K Edge: Precision Spectroscopy and Absolute Cross-sections

    NASA Astrophysics Data System (ADS)

    Müller, Alfred; Bernhardt, Dietrich; Borovik, Alexander, Jr.; Buhr, Ticia; Hellhund, Jonas; Holste, Kristof; Kilcoyne, A. L. David; Klumpp, Stephan; Martins, Michael; Ricz, Sandor; Seltmann, Jörn; Viefhaus, Jens; Schippers, Stefan

    2017-02-01

    Single, double, and triple photoionization of Ne+ ions by single photons have been investigated at the synchrotron radiation source PETRA III in Hamburg, Germany. Absolute cross-sections were measured by employing the photon–ion merged-beams technique. Photon energies were between about 840 and 930 eV, covering the range from the lowest-energy resonances associated with the excitation of one single K-shell electron up to double excitations involving one K- and one L-shell electron, well beyond the K-shell ionization threshold. Also, photoionization of neutral Ne was investigated just below the K edge. The chosen photon energy bandwidths were between 32 and 500 meV, facilitating the determination of natural line widths. The uncertainty of the energy scale is estimated to be 0.2 eV. For comparison with existing theoretical calculations, astrophysically relevant photoabsorption cross-sections were inferred by summing the measured partial ionization channels. Discussion of the observed resonances in the different final ionization channels reveals the presence of complex Auger-decay mechanisms. The ejection of three electrons from the lowest K-shell-excited Ne+(1s2{s}22{p}6{}2{{{S}}}1/2) level, for example, requires cooperative interaction of at least four electrons.

  19. Absolute total electron scattering cross sections for N/sub 2/ between 0. 5 and 50 eV

    SciTech Connect

    Kennerly, R.E.

    1980-06-01

    Absolute total electron scattering cross sections for N/sub 2/ from 0.5 to 50 eV have been measured with an estimated uncertainty of +- 3% using a transmission time-of-flight method previously described. The results are compared to previous experimental results and to recent calculations. The positions of the /sup 2/Pi/sub g/ resonance peaks were determined with much greater accuracy ( +- 15 meV) than in previous transmission measurements. The structure reported by Golden (1966) below the /sup 2/Pi/sub g/ resonance was clearly not present, indicating that, if real, these features are not a property of the N/sub 2/ ground vibronic state. The shape resonance predicted at 11 eV by Dill and Dehmer (1977) was not seen, perhaps because it was too weakly manifested in the total cross section. A weak broad band centered at 25 eV may be interpreted as being due to a sigma/sub u/ shape resonance as predicted by Dehmer, Siegel, Welch, and Dill.

  20. Crossed-beam studies of the dynamics of radical reactions

    SciTech Connect

    Liu, K.

    1993-12-01

    The objective of this program is to characterize the detailed dynamics of elementary radical reactions and to provide a better understanding of radical reactivity in general. The radical beam is typically generated by a laser photolysis method. After colliding with the reacting molecule in a crossed-beam apparatus, the reaction product state distribution is interrogated by laser spectroscopic techniques. Several radicals of combustion significance, such as O, CH, OH, CN and NCO have been successfully generated and their collisional behavior at the state-to-state integral cross section level of detail has been studied in this manner. During the past year, the detection system has been converted from LIF to REMPI schemes, and the emphasis of this program shifted to investigate the product angular distributions. Both inelastic and reactive processes have been studied.

  1. Evaluation of cross-reactions in Histoplasma capsulatum serologic tests.

    PubMed Central

    Wheat, J; French, M L; Kamel, S; Tewari, R P

    1986-01-01

    Cross-reactivity in Histoplasma serologic tests was evaluated by using sera from patients with histoplasmosis and other infections. Serum samples from 127 of 134 (95%) patients with histoplasmosis were judged positive by complement fixation tests, and 121 (90%) showed H bands, M bands, or both by immunodiffusion. Of these 134 patients, cross-reactions were seen to Blastomyces dermatitidis in 53 patients (40%), to Coccidioides immitis in 20 patients (16%), and to Aspergillus fumigatus in 3 patients (2%) by complement fixation. Serum samples from 5 of 99 patients (5%) with other fungal infections and from 5 of 46 patients (11%) with tuberculosis had M precipitin bands by the Histoplasma immunodiffusion test, whereas none of the 123 sera from patients with other bacterial, Mycoplasma, or viral infections showed H or M precipitin bands. In the complement fixation test, positive reactions were observed in 16 of 90 patients (18%) with other fungal infections, in 14 of 41 patients (34%) with tuberculosis, and in 18 of 105 patients (17%) with other bacterial, Mycoplasma, or viral infections. Positive reactions were seen by radioimmunoassay in 54 of 110 patients (49%) with other fungal infections, in 23 of 46 patients (50%) with tuberculosis, and in 35 of 123 patients (28%) with with other bacterial, Mycoplasma, or viral infections. These results demonstrate a wider range of cross-reactions in Histoplasma serology than has been previously recognized, and the cross-reactivity was greatest when observed by radioimmunoassay. Caution should be exercised in the interpretation of serologic data from patients with suspected fungal infections. PMID:2420821

  2. Absolute Total Cross Section Measurements for Electron Scattering on GeH4 and SiH4 Molecules

    NASA Astrophysics Data System (ADS)

    Zejko, Pawel. Mo.; Kasperski, Grzegorz; Szmytkowski, Czeslaw

    1996-10-01

    We have measured absolute grand total electron--scattering cross section for GeH4 and SiH4 molecules in the energy range of 0.75--250 eV and 0.6--250 eV, respectively, using the linear transmission experimental setup(A.M. Krzysztofowicz and Cz. Szmytkowski 1995 J. Phys. B 28) 1593. The general character of both obtained total cross section (TCS) functions is similar. For germane TCS dramatically increases from 12× 10-20 m^2 at 0.8 eV up to nearly 59× 10-20 m^2 at the 3.8 eV maximum. For silane the maximum (57× 10-20 m^2) is localized near 2.9 eV. These structures are partly attributable to the existence of short-lived negative-ion resonant states. From 10 eV to the highest applied energy TCS' decrease monotonically with increasing impact energy E, and above 50 eV the total cross sections change like E-0.5. None low-energy e^--GeH4 experiment is available for comparison. Above 75 eV our results are in good agreement with the recent intermediate-energy TCS measurements of Karwasz(G.P. Karwasz 1995 J. Phys. B 28) 1301 and with calculations of Baluja et al(K.L. Baluja et al) 1992 Europhys. Lett. 17 139. There is also reasonably agreement of present e^--SiH4 data with available experimental results.

  3. Easy Absolute Values? Absolutely

    ERIC Educational Resources Information Center

    Taylor, Sharon E.; Mittag, Kathleen Cage

    2015-01-01

    The authors teach a problem-solving course for preservice middle-grades education majors that includes concepts dealing with absolute-value computations, equations, and inequalities. Many of these students like mathematics and plan to teach it, so they are adept at symbolic manipulations. Getting them to think differently about a concept that they…

  4. Absorption spectrum and absolute absorption cross sections of CH3O2 radicals and CH3I molecules in the wavelength range 7473-7497 cm(-1).

    PubMed

    Faragó, Eszter P; Viskolcz, Bela; Schoemaecker, Coralie; Fittschen, Christa

    2013-12-05

    The absorption spectrum of CH3O2 radicals and CH3I molecules has been measured in the range 7473-7497 cm(-1). CH3O2 radicals have been generated by 248 nm laser photolysis of CH3I in the presence of O2, and the relative absorption has been measured by time-resolved continuous-wave cavity ring-down spectroscopy (cw-CRDS). Calibration of the relative absorption spectrum has been carried out on three distinct wavelengths by carefully measuring CH3O2 decays under different experimental conditions and extracting the initial radical concentration (and with this the absolute absorption cross sections) by using the well-known rate constant for the CH3O2 self-reaction. The following, pressure-independent absorption cross sections were determined: 3.41 × 10(-20), 3.40 × 10(-20), and 2.11 × 10(-20) cm(2) at 7748.18, 7489.16, and 7493.33 cm(-1). These values are 2-3 times higher than previous determinations ( Pushkarsky, M. B.; Zalyubovsky, S. J.; Miller, T. A. J. Chem. Phys. 2000, 112 (24), 10695 - 10698 and Atkinson, D. B.; Spillman, J. L. J. Phys. Chem. A 2002, 106 (38), 8891 - 8902). The absorption spectrum of the stable precursor CH3I has also been determined and three characteristic sharp absorption lines with absorption cross sections up to 2 × 10(-21) cm(2) have been observed in this wavelength range.

  5. Crossed molecular beam studies of atmospheric chemical reaction dynamics

    SciTech Connect

    Zhang, Jingsong

    1993-04-01

    The dynamics of several elementary chemical reactions that are important in atmospheric chemistry are investigated. The reactive scattering of ground state chlorine or bromine atoms with ozone molecules and ground state chlorine atoms with nitrogen dioxide molecules is studied using a crossed molecular beams apparatus with a rotatable mass spectrometer detector. The Cl + O3 → ClO + O2 reaction has been studied at four collision energies ranging from 6 kcal/mole to 32 kcal/mole. The derived product center-of-mass angular and translational energy distributions show that the reaction has a direct reaction mechanism and that there is a strong repulsion on the exit channel. The ClO product is sideways and forward scattered with respect to the Cl atom, and the translational energy release is large. The Cl atom is most likely to attack the terminal oxygen atom of the ozone molecule. The Br + O3 → ClO + O2 reaction has been studied at five collision energies ranging from 5 kcal/mole to 26 kcal/mole. The derived product center-of-mass angular and translational energy distributions are quite similar to those in the Cl + O3 reaction. The Br + O3 reaction has a direct reaction mechanism similar to that of the Cl + O3 reaction. The electronic structure of the ozone molecule seems to play the central role in determining the reaction mechanism in atomic radical reactions with the ozone molecule. The Cl + NO2 → ClO + NO reaction has been studied at three collision energies ranging from 10.6 kcal/mole to 22.4 kcal/mole. The center-of-mass angular distribution has some forward-backward symmetry, and the product translational energy release is quite large. The reaction proceeds through a short-lived complex whose lifetime is less than one rotational period. The experimental results seem to show that the Cl atom mainly attacks the oxygen atom instead of the nitrogen atom of the NO2

  6. Accurate Quantification of Cardiovascular Biomarkers in Serum Using Protein Standard Absolute Quantification (PSAQ™) and Selected Reaction Monitoring*

    PubMed Central

    Huillet, Céline; Adrait, Annie; Lebert, Dorothée; Picard, Guillaume; Trauchessec, Mathieu; Louwagie, Mathilde; Dupuis, Alain; Hittinger, Luc; Ghaleh, Bijan; Le Corvoisier, Philippe; Jaquinod, Michel; Garin, Jérôme; Bruley, Christophe; Brun, Virginie

    2012-01-01

    Development of new biomarkers needs to be significantly accelerated to improve diagnostic, prognostic, and toxicity monitoring as well as therapeutic follow-up. Biomarker evaluation is the main bottleneck in this development process. Selected Reaction Monitoring (SRM) combined with stable isotope dilution has emerged as a promising option to speed this step, particularly because of its multiplexing capacities. However, analytical variabilities because of upstream sample handling or incomplete trypsin digestion still need to be resolved. In 2007, we developed the PSAQ™ method (Protein Standard Absolute Quantification), which uses full-length isotope-labeled protein standards to quantify target proteins. In the present study we used clinically validated cardiovascular biomarkers (LDH-B, CKMB, myoglobin, and troponin I) to demonstrate that the combination of PSAQ and SRM (PSAQ-SRM) allows highly accurate biomarker quantification in serum samples. A multiplex PSAQ-SRM assay was used to quantify these biomarkers in clinical samples from myocardial infarction patients. Good correlation between PSAQ-SRM and ELISA assay results was found and demonstrated the consistency between these analytical approaches. Thus, PSAQ-SRM has the capacity to improve both accuracy and reproducibility in protein analysis. This will be a major contribution to efficient biomarker development strategies. PMID:22080464

  7. Pressure dependence of the absolute rate constant for the reaction OH + C2H2 from 228 to 413K

    NASA Technical Reports Server (NTRS)

    Michael, J. V.; Nava, D. F.; Borokowski, R. P.; Payne, W. A.; Stief, L. J.

    1980-01-01

    The pressure dependence of absolute rate constants for the reaction of OH + C2H2 yields products has been examined at five temperatures ranging from 228 to 413 K. The experimental techniques which was used is flash photolysis-resonance fluoresence. OH was produced by water photolysis and hydroxyl resonance fluorescent photons were measured by multiscaling techniques. The results indicate that the low pressure bimolecular rate constant is 4 x 10 the the minus 13th power cu cm molecule (-1) s(-1) over the temperature range studied. A substantial increase in the bimolecular rate constant with an increase in pressure was observed at all temperatures except 228 K. This indicates the importance of initial adduct formation and subsequent stablization. The high pressure results are well represented by the Arrhenius expression (k sub bi) sub infinity = (6.83 + or - 1.19) x 10 to the minus 12th power exp(-646 + or - 47/T)cu cm molecule (-1) s(-1). The results are compared to previous investigated and are theoretically discussed. The implications of these results on modeling of terrestrial and planetary atmospheres and also in combustion chemistry are discussed.

  8. Absolute absorption cross sections of ozone at 300 K, 228 K and 195 K in the wavelength region 185-240 nm

    NASA Technical Reports Server (NTRS)

    Yoshino, K.; Parkinson, W. H.; Freeman, D. E.

    1992-01-01

    An account is given of progress of work on absorption cross section measurements of ozone at 300 K, 228 K and 195 K in the wavelength region 185-240 nm. In this wavelength region, the penetration of solar radiation into the Earth's atmosphere is controlled by O2 and O3. The transmitted radiation is available to dissociate trace species such as halocarbons and nitrous oxide. We have recently measured absolute absorption cross sections of O3 in the wavelength region 240-350 nm (Freeman et al., 1985; Yoshino et al., 1988). We apply these proven techniques to the determination of the absorption cross section of O3 at 300 K, 228 K and 195 K throughout the wavelength region 185-240 nm. A paper titled 'Absolute Absorption Cross Section Measurements of Ozone in the Wavelength Region 185-254 nm and the Temperature Dependence' has been submitted for publication in the Journal of Geophysical Research.

  9. Measurement of Absolute Excitation Cross Sections in Highly-Charged Ions Using Electron Energy Loss and Merged Beams

    NASA Technical Reports Server (NTRS)

    Chutjian, A.; Smith, Steven J.; Lozano, J.

    2002-01-01

    There is increasing emphasis during this decade on understanding energy balance and phenomena observed in high electron temperature plasmas. The UV spectral return from FUSE, the X-ray spectral return from the HETG on Chandra and the LETGS 011 XMM-Newton are just beginning. Line emissions are almost entirely from highly-charged ions (HCIs) of C, N, 0, Ne, Mg, S, Si, Ca, and Fe. The Constellation-X mission will provide X-ray spectroscopy up to photon energies of 0.12 nm (10 keV) where primary line emitters will be HCIs. A variety of atomic parameters are required to model the stellar and solar plasma. These include cross sections for excitation, ionization, charge-exchange, X-ray emission, direct and indirect recombination, lifetimes and branching ratios, and dependences on l, m mixing by external E and B fields. In almost all cases the atomic quantities are calculated, and few comparisons to experiment have been carried out. Collision strengths and Einstein A-values are required to convert the observed spectral intensities to electron temperatures and densities in the stellar plasma. The JPL electron energy-loss and merged beam approach has been used to measure absolute collision strengths in a number of ions, with critical comparison made to the best available theories.

  10. [Latex allergy and cross-reactions: a new threat?].

    PubMed

    Stevens, W

    2000-01-01

    Allergy to latex proteins has become an important problem, especially in the medical profession, but also in people who have regularly contact with latex products. The responsible antigens are proteins, which are present in the natural rubber latex (NRL), extracted from Hevea brasiliensis. These proteins are important in the synthesis of rubber and in the defence of the plant against external noxes (pathogenesis related proteins). Life threathening reactions occur more frequently in the operating theatre. Sensitisation can occur via different routes (aerogen, skin, parenteral, ...) but aerogenic sensitisation seems to be very important. Starch particles are important vectors of the antigens. Diagnosis is made via history, confirmed by demonstration of specific IgE via skin test (in vivo) or via an in vitro method (e.g. CAP, ELISA). Immunological cross reactions are very frequent with other plant or fruit allergens but cross allergy is less frequent (sensitivity and specificity of the in vitro test varies considerably depending on the nature of the fruit or vegetable investigated). There is also a cross reactivity with Ficus. Prevention with latex allergens becomes primordial in hospital settings. The industry is aware of the problem and produces more and more synthetic latex products.

  11. Dehydrative cross-coupling reactions of allylic alcohols with olefins.

    PubMed

    Gumrukcu, Yasemin; de Bruin, Bas; Reek, Joost N H

    2014-08-25

    The direct dehydrative activation of allylic alcohols and subsequent cross-coupling with alkenes by using palladium catalyst containing a phosphoramidite ligand is described. The activation of the allyl alcohol does not require stoichiometric additives, thus allowing clean, waste-free reactions. The scope is demonstrated by application of the protocol to a series allylic alcohols and vinyl arenes, leading to variety of 1,4-diene products. Based on kinetic studies, a mechanism is proposed that involves a palladium hydride species that activates the allyl alcohol to form the allyl intermediate.

  12. Absolute partial and total electron-impact-ionization cross sections for CF4 from threshold up to 500 eV

    NASA Astrophysics Data System (ADS)

    Ma, Ce; Bruce, M. R.; Bonham, R. A.

    1991-09-01

    Electron-impact dissociative ionization of tetrafluoromethane (CF4) was studied with the use of a pulsed electron beam time-of-flight apparatus. The absolute partial ionization cross sections of CF+3, CF+2, CF2+3, CF+, CF2+2, F+, and C+ were measured from threshold up to 500 eV. The total ionization cross section was obtained by charge weighted summing of all the observed partial ionization cross sections. A total cross section for dissociation into neutral fragments was inferred from our total ionization cross section and the total dissociation cross section of Winters and Inokuti [Phys. Rev. A 25, 1420 (1982)]. The present results for the partial ionization cross sections are as much as 9% (CF+3) to 81% (F+) higher than the previously published absolute measurements of Stephan, Deutsch, and Märk [J. Chem. Phys. 83, 5712 (1985)] at 80 eV, but are in agreement with their recently revised estimates for the singly charged ions. We also found that dissociative ionization was a dominant process for electron-impact energies above 30 eV, accounting for 85% of the total dissociation cross section at 80 eV.

  13. Assessment of experimental d-PIGE γ-ray production cross sections for 12C, 14N and 16O and comparison with absolute thick target yields

    NASA Astrophysics Data System (ADS)

    Csedreki, L.; Halász, Z.; Kiss, Á. Z.

    2016-08-01

    Measured differential cross sections for deuteron induced γ-ray emission from the reactions 12C(d,pγ)13C, (Eγ = 3089 keV), 14N(d,pγ)15N (Eγ = 8310 keV) and 16O(d,pγ)17O (Eγ = 871 keV) available in the literature were assessed. In order to cross check the assessed γ-ray production cross section data, thick target γ-yields calculated from the differential cross sections were compared with available measured thick target yields. Recommended differential cross section data for each reaction were deduced for particle induced γ-ray emission (PIGE) applications.

  14. A novel setup for the determination of absolute cross sections for low-energy electron induced strand breaks in oligonucleotides - The effect of the radiosensitizer 5-fluorouracil*

    NASA Astrophysics Data System (ADS)

    Rackwitz, Jenny; Ranković, Miloš Lj.; Milosavljević, Aleksandar R.; Bald, Ilko

    2017-02-01

    Low-energy electrons (LEEs) play an important role in DNA radiation damage. Here we present a method to quantify LEE induced strand breakage in well-defined oligonucleotide single strands in terms of absolute cross sections. An LEE irradiation setup covering electron energies <500 eV is constructed and optimized to irradiate DNA origami triangles carrying well-defined oligonucleotide target strands. Measurements are presented for 10.0 and 5.5 eV for different oligonucleotide targets. The determination of absolute strand break cross sections is performed by atomic force microscopy analysis. An accurate fluence determination ensures small margins of error of the determined absolute single strand break cross sections σ SSB . In this way, the influence of sequence modification with the radiosensitive 5-Fluorouracil (5FU) is studied using an absolute and relative data analysis. We demonstrate an increase in the strand break yields of 5FU containing oligonucleotides by a factor of 1.5 to 1.6 compared with non-modified oligonucleotide sequences when irradiated with 10 eV electrons.

  15. Can the analyte-triggered asymmetric autocatalytic Soai reaction serve as a universal analytical tool for measuring enantiopurity and assigning absolute configuration?

    PubMed

    Welch, Christopher J; Zawatzky, Kerstin; Makarov, Alexey A; Fujiwara, Satoshi; Matsumoto, Arimasa; Soai, Kenso

    2016-12-20

    An investigation is reported on the use of the autocatalytic enantioselective Soai reaction, known to be influenced by the presence of a wide variety of chiral materials, as a generic tool for measuring the enantiopurity and absolute configuration of any substance. Good generality for the reaction across a small group of test analytes was observed, consistent with literature reports suggesting a diversity of compound types that can influence the stereochemical outcome of this reaction. Some trends in the absolute sense of stereochemical enrichment were noted, suggesting the possible utility of the approach for assigning absolute configuration to unknown compounds, by analogy to closely related species with known outcomes. Considerable variation was observed in the triggering strength of different enantiopure materials, an undesirable characteristic when dealing with mixtures containing minor impurities with strong triggering strength in the presence of major components with weak triggering strength. A strong tendency of the reaction toward an 'all or none' type of behavior makes the reaction most sensitive for detecting enantioenrichment close to zero. Consequently, the ability to discern modest from excellent enantioselectivity was relatively poor. While these properties limit the ability to obtain precise enantiopurity measurements in a simple single addition experiment, prospects may exist for more complex experimental setups that may potentially offer improved performance.

  16. Cross-flow electrochemical reactor cells, cross-flow reactors, and use of cross-flow reactors for oxidation reactions

    DOEpatents

    Balachandran, Uthamalingam; Poeppel, Roger B.; Kleefisch, Mark S.; Kobylinski, Thaddeus P.; Udovich, Carl A.

    1994-01-01

    This invention discloses cross-flow electrochemical reactor cells containing oxygen permeable materials which have both electron conductivity and oxygen ion conductivity, cross-flow reactors, and electrochemical processes using cross-flow reactor cells having oxygen permeable monolithic cores to control and facilitate transport of oxygen from an oxygen-containing gas stream to oxidation reactions of organic compounds in another gas stream. These cross-flow electrochemical reactors comprise a hollow ceramic blade positioned across a gas stream flow or a stack of crossed hollow ceramic blades containing a channel or channels for flow of gas streams. Each channel has at least one channel wall disposed between a channel and a portion of an outer surface of the ceramic blade, or a common wall with adjacent blades in a stack comprising a gas-impervious mixed metal oxide material of a perovskite structure having electron conductivity and oxygen ion conductivity. The invention includes reactors comprising first and second zones seprated by gas-impervious mixed metal oxide material material having electron conductivity and oxygen ion conductivity. Prefered gas-impervious materials comprise at least one mixed metal oxide having a perovskite structure or perovskite-like structure. The invention includes, also, oxidation processes controlled by using these electrochemical reactors, and these reactions do not require an external source of electrical potential or any external electric circuit for oxidation to proceed.

  17. Crossed avoiding reaction: a disturbance of the manual spatial function.

    PubMed Central

    Nagumo, T; Yamadori, A; Soma, Y; Kayamori, R; Ito, M

    1993-01-01

    A patient with MRI confirmed lesions in the corpus callosum and the left cingulate gyrus had a rare syndrome of crossed avoiding reaction of the left hand. With the right hand she could reach a stimulus object in whatever space it was presented. With the left hand, however, she could not mobilise it to reach a stimulus presented in the right hemispace relative to her body axis. In the left hemispace relative to her body axis her left hand reached an object without any difficulty. This left unilateral difficulty in the right unilateral space may be related to a unique spatial function that controls manual space, which is represented differentially in the two hemispheres. In the left hemisphere this function covers bilateral hemispace and is operated by the right hand. In the right hemisphere this function covers only the left hemispace and is operated by the left hand. Images PMID:8505650

  18. Absolute cross sections for binary-encounter electron ejection by 95-MeV/u {sup 36}Ar{sup 18+} penetrating carbon foils

    SciTech Connect

    De Filippo, E.; Lanzano, G.; Aiello, S.; Arena, N.; Geraci, M.; Pagano, A.; Rothard, H.; Volant, C.; Anzalone, A.; Giustolisi, F.

    2003-08-01

    Doubly differential electron velocity spectra induced by 95-MeV/u {sup 36}Ar{sup 18+} from thin carbon foils were measured at GANIL (Caen, France) by means of the ARGOS multidetector and the time-of-flight technique. The spectra allow us to determine absolute singly differential cross sections as a function of the emission angle. Absolute doubly differential cross sections for binary encounter electron ejection from C targets are compared to a transport theory, which is based on the relativistic electron impact approximation for electron production and which accounts for angular deflection, energy loss, and also energy straggling of the transmitted electrons. For the thinnest targets, the measured peak width is in good agreement with experimental data obtained with a different detection technique. The theory underestimates the peak width but provides (within a factor of 2) the correct peak intensity. For the thickest target, even the peak shape is well reproduced by theory.

  19. Calculation of the Reaction Cross Section for Several Actinides

    SciTech Connect

    Hambsch, Franz-Josef; Oberstedt, Stephan; Vladuca, Gheorghita; Tudora, Anabella; Filipescu, Dan

    2005-05-24

    New, self-consistent, neutron-induced reaction cross-section calculations for 235,238U, 237Np, and 231,232,233Pa have been performed. The statistical model code STATIS was extended to take into account the multi-modality of the fission process. The three most dominant fission modes, the two asymmetric standard I (S1) and standard II (S2) modes, and the symmetric superlong (SL) mode have been taken into account. De-convoluted fission cross sections for these modes in 235,238U(n,f) and 237Np(n,f) based on experimental branching ratios, were calculated for the first time up to the second chance fission threshold. For 235U(n,f) and 233Pa(n,f), the calculations being made up to 50 MeV and 20 MeV incident neutron energy, respectively, higher fission chances have been considered. This implied the need for additional calculations for the neighbouring isotopes.As a side product also mass yield distributions could be calculated at energies hitherto not accessible by experiment. Experimental validation of the predictions is being envisaged.

  20. Absolute K-shell ionization cross sections and L{alpha} and L{beta}{sub 1} x-ray production cross sections of Ga and As by 1.5-39-keV electrons

    SciTech Connect

    Merlet, C.; Llovet, X.; Fernandez-Varea, J. M.

    2006-06-15

    Absolute K-shell ionization and L{alpha} and L{beta}{sub 1} x-ray production cross sections for Ga and As have been measured for incident electrons in the energy range from 1.5 to 39 keV. The cross sections were deduced from K{alpha}, L{alpha}, and L{beta}{sub 1} x-ray intensities emitted from ultrathin GaAs samples deposited onto self-supporting carbon films. The x-ray intensities were measured on an electron microprobe equipped with several wavelength-dispersive spectrometers and were converted into absolute cross sections by using estimated values of the target thickness, spectrometer efficiency, and number of incident electrons. Experimental results are compared with cross sections calculated from the plane-wave and distorted-wave Born approximations, the relativistic binary-encounter-Bethe model, the results of two widely used simple analytical formulas, and, whenever possible, experimental data from the literature.

  1. Absolute cascade-free cross-sections for the 2S to 2P transition in Zn(+) using electron-energy-loss and merged-beams methods

    NASA Technical Reports Server (NTRS)

    Smith, Steven J.; Man, K.-F.; Chutjian, A.; Mawhorter, R. J.; Williams, I. D.

    1991-01-01

    Absolute cascade-free excitation cross-sections in an ion have been measured for the resonance 2S to 2P transition in Zn(+) using electron-energy-loss and merged electron-ion beams methods. Measurements were carried out at electron energies of below threshold to 6 times threshold. Comparisons are made with 2-, 5-, and 15-state close-coupling and distorted-wave theories. There is good agreement between experiment and the 15-state close-coupling cross-sections over the energy range of the calculations.

  2. STUDY OF THE REACTION DYNAMICS OF Li + HF, HCl BY THE CROSSED MOLECULAR BEAMS METHOD

    SciTech Connect

    Becker, Christopher H.; Casavecchia, Piergiorgio; Tiedemann, Peter W.; Valentini, James J.; Lee, Yuan T.

    1980-05-01

    }) are evaluated by integrating the product distributions in the c.m. frame and using small angle nonreactive scattering of Li as an absolute calibrant. Values of {sigma}{sub R} are: for LiF formation {sigma}{sub R} ~ 0.8 {Angstrom}{sup 2} and 0.94 {Angstrom}{sup 2} at E{sub c} = 3 and 8.7 kcal/mole, while for LiCl formation {sigma}{sub R} = 27 {Angstrom}{sup 2} and 42 {Angstrom}{sup 2} at E{sub c} = 2.9 and 9.2 kcal/mole, with estimated absolute and relative uncertainties of a factor of 2, and 30%, respectively. Average opacities for reaction have been estimated from the reaction cross sections and the extent of rotational excitation of products to be about 0.1 for reaction (I) and 1 for reaction (II), for L values allowed to react. These results are discussed in some detail with regard to the kinematic constraints, reaction dynamics and potential energy surfaces for these two reactions, and related experimental and theoretical work are noted. In addition, angular distributions of nonreactive scattering of Li off HF and HCl are measured at 4 different E{sub c} each. Rainbow structure is observed at low E{sub c} and the angular distributions are fit by a spherically symmetric piecewise analytic potential. The resulting values of the potential's well depth ({epsilon}) and minimum position (r{sub m} ) are: for Li + HF {epsilon} = 0.46 kcal/mole and r{sub m} = 4.34 {Angstrom} and for Li + HCl {epsilon} = 0.32 kcal/mole and r{sub m} = 4.7 {Angstrom}. These results differ significantly from some earlier estimates based on the measurements of integral scattering cross sections.

  3. Electron scattering from hexafluoride molecules: WF6 and C2F6. Absolute total cross section measurements from 1 to 250 eV

    NASA Astrophysics Data System (ADS)

    Szmytkowski, Czeslaw; Mozejko, Pawel; Kasperski, Grzegorz; Ptasinska-Denga, Elzbieta

    2000-01-01

    Electron-scattering absolute total cross sections for tungsten hexafluoride (WF6) and hexafluorethane (C2F6) molecules have been measured in a linear transmission electron-beam experiment within the impact energy range from about 1 to 250 eV. For electron scattering from WF6 the cross section shows a prominent resonant-like peak centred at 3 eV and a very broad enhancement in the energy range between 20 and 70 eV overlaid with some much less pronounced features. The cross section for C2F6 has two resonant structures at 5 and 9 eV, respectively, and a very broad hump ranging from 20 to 60 eV with a distinct shoulder near 20 eV. Comparison of the e--C2F6 total cross section with available low-energy data from other experiments is made. The effect of fluorination is indicated.

  4. Prospective Teachers' Reactions to "Right-or-Wrong" Tasks: The Case of Derivatives of Absolute Value Functions

    ERIC Educational Resources Information Center

    Tsamir, Pessia; Rasslan, Shaker; Dreyfus, Tommy

    2006-01-01

    This paper illustrates the role of a "Thinking-about-Derivatives" task in identifying learners' derivative conceptions and for promoting their critical thinking about derivatives of absolute value functions. The task included three parts: "Define" the derivative of a function f(x) at x = x[subscript 0], "Solve-if-Possible" the derivative of f(x) =…

  5. Fusion, reaction, and breakup cross sections of {sup 9}Be on a light mass target

    SciTech Connect

    Marti, G.V.; Capurro, O.A.; Pacheco, A.J.; Testoni, J.E.; Ramirez, M.; Arazi, A.; Gomes, P.R.S.; Padron, I.; Anjos, R.M.; Lubian, J.; Crema, E.

    2005-02-01

    The total fusion cross section for the {sup 9}Be+{sup 27}Al system has been measured at energies close and above the Coulomb barrier. Reaction cross sections for this system were derived from elastic scattering data, and the breakup-plus-transfer-channel cross sections were estimated from the difference between these data and measured cross-section fusion.

  6. Modeled Neutron Induced Nuclear Reaction Cross Sections for Radiochemistry in the region of Iriduim and Gold

    SciTech Connect

    Hoffman, R D; Dietrich, F S; Kelley, K; Escher, J; Bauer, R; Mustafa, M

    2008-02-26

    We have developed a set of modeled nuclear reaction cross sections for use in radiochemical diagnostics. Systematics for the input parameters required by the Hauser-Feshbach statistical model were developed and used to calculate neutron induced nuclear reaction cross sections for targets ranging from osmium (Z = 76) to gold (Z = 79). Of particular interest are the cross sections on Ir and Au including reactions on isomeric targets.

  7. α scattering and α -induced reaction cross sections of 64Zn at low energies

    NASA Astrophysics Data System (ADS)

    Ornelas, A.; Mohr, P.; Gyürky, Gy.; Elekes, Z.; Fülöp, Zs.; Halász, Z.; Kiss, G. G.; Somorjai, E.; Szücs, T.; Takács, M. P.; Galaviz, D.; Güray, R. T.; Korkulu, Z.; Özkan, N.; Yalçın, C.

    2016-11-01

    Background: α -nucleus potentials play an essential role for the calculation of α -induced reaction cross sections at low energies in the statistical model. Uncertainties of these calculations are related to ambiguities in the adjustment of the potential parameters to experimental elastic scattering angular distributions and to the energy dependence of the effective α -nucleus potentials. Purpose: The present work studies the total reaction cross section σreac of α -induced reactions at low energies which can be determined from the elastic scattering angular distribution or from the sum over the cross sections of all open nonelastic channels. Method: Elastic and inelastic 64Zn(α ,α )64Zn angular distributions were measured at two energies around the Coulomb barrier, at 12.1 and 16.1 MeV. Reaction cross sections of the (α ,γ ) , (α ,n ) , and (α ,p ) reactions were measured at the same energies using the activation technique. The contributions of missing nonelastic channels were estimated from statistical model calculations. Results: The total reaction cross sections from elastic scattering and from the sum of the cross sections over all open nonelastic channels agree well within the uncertainties. This finding confirms the consistency of the experimental data. At the higher energy of 16.1 MeV, the predicted significant contribution of compound-inelastic scattering to the total reaction cross section is confirmed experimentally. As a by-product it is found that most recent global α -nucleus potentials are able to describe the reaction cross sections for 64Zn around the Coulomb barrier. Conclusions: Total reaction cross sections of α -induced reactions can be well determined from elastic scattering angular distributions. The present study proves experimentally that the total cross section from elastic scattering is identical to the sum of nonelastic reaction cross sections. Thus, the statistical model can reliably be used to distribute the total reaction

  8. Theoretical cross section calculations of medical 13N and 18F radioisotope using alpha induced reaction

    NASA Astrophysics Data System (ADS)

    Kılınç, F.; Karpuz, N.; ćetin, B.

    2017-02-01

    In medical physics, radionuclides are needed to diagnose functional disorders of organs and to diagnose and treat many diseases. Nuclear reactions are significant for the productions of radionuclides. It is important to analyze the cross sections for much different energy. In this study, reactional cross sections calculations on 13N, 18F radioisotopes are with TALYS 1.6 nuclear reaction simulation code. Cross sections calculated and experimental data taken from EXFOR library were compared

  9. Experimental Studies of Electron Impact Phenomena: (i) Absolute Elastic Differential Cross Section Measurements of Carbon-Monoxide Nitrogen Molecule, and Carbon-Dioxide Using a Refined Relative Flow Technique, (ii) Differential Cross Section Measurements for Excitation of Electronic Levels of Carbon-Monoxide by Electron Impact, (iii) Absolute Total Scattering Cross Section Measurements for Electron Impact on Krypton, Oxygen Molecule, and Carbon-Monoxide

    NASA Astrophysics Data System (ADS)

    Kanik, Isik

    1988-12-01

    Absolute elastic differential scattering cross sections (DCS) for electron impact on CO, N_2 , and CO_2 in the energy range 20-100 eV and angular range 20^circ -120^circ were measured. A crossed beam scattering geometry was employed and the results were obtained using a relative flow technique in which the DCS of CO and CO_2 were compared directly to the DCS of helium at each angle and energy and the DCS of N_2 was compared directly to the DCS of CO. The results of the elastic DCS of neon are also presented as a check on the experimental procedure. Differential cross section measurements for excitation of the electronic features (a^3Pi , a^'^3Sigma ^+, d^3Delta, and A^1Pi) of CO by electron impact have been carried out by JPL group (Peter Zetner and Sandor Trajmar). These data have been analyzed and differential cross sections were obtained for the impact energies 12.5 eV and 15.0 eV by using a computer unfolding program that employes flux corrected Franck-Condon factors and calibration scheme developed jointly with the JPL group. Details of the routine for extracting the DCS are presented. Absolute total scattering cross section measurements were carried out for electron impact on Kr, O_2 , and CO. The results were obtained using a linear attenuation technique in the 5-300 eV incident energy range. The present results have an assigned error of 3% and generally found to be in good agreement with other experimental data.

  10. Absolute rate of the reaction of Cl(p-2) with molecular hydrogen from 200 - 500 K

    NASA Technical Reports Server (NTRS)

    Whytock, D. A.; Lee, J. H.; Michael, J. V.; Payne, W. A.; Stief, L. J.

    1976-01-01

    Rate constants for the reaction of atomic chlorine with hydrogen are measured from 200 - 500 K using the flash photolysis-resonance fluorescence technique. The results are compared with previous work and are discussed with particular reference to the equilibrium constant for the reaction and to relative rate data for chlorine atom reactions. Theoretical calculations, using the BEBO method with tunneling, give excellent agreement with experiment.

  11. Benchmark experiment for electron-impact ionization of argon: Absolute triple-differential cross sections via three-dimensional electron emission images

    SciTech Connect

    Ren Xueguang; Senftleben, Arne; Pflueger, Thomas; Dorn, Alexander; Ullrich, Joachim; Bartschat, Klaus

    2011-05-15

    Single ionization of argon by 195-eV electron impact is studied in an experiment, where the absolute triple-differential cross sections are presented as three-dimensional electron emission images for a series of kinematic conditions. Thereby a comprehensive set of experimental data for electron-impact ionization of a many-electron system is produced to provide a benchmark for comparison with theoretical predictions. Theoretical models using a hybrid first-order and second-order distorted-wave Born plus R-matrix approach are employed to compare their predictions with the experimental data. While the relative shape of the calculated cross section is generally in reasonable agreement with experiment, the magnitude appears to be the most significant problem with the theoretical treatment for the conditions studied in the present work. This suggests that the most significant challenge in the further development of theory for this process may lie in the reproduction of the absolute scale rather than the angular dependence of the cross section.

  12. Tracing multiple scattering patterns in absolute (e,2e) cross sections for H{sub 2} and He over a 4{pi} solid angle

    SciTech Connect

    Ren, X.; Senftleben, A.; Pflueger, T.; Dorn, A.; Ullrich, J.; Colgan, J.; Pindzola, M. S.; Al-Hagan, O.; Madison, D. H.; Bray, I.; Fursa, D. V.

    2010-09-15

    Absolutely normalized (e,2e) measurements for H{sub 2} and He covering the full solid angle of one ejected electron are presented for 16 eV sum energy of both final state continuum electrons. For both targets rich cross-section structures in addition to the binary and recoil lobes are identified and studied as a function of the fixed electron's emission angle and the energy sharing among both electrons. For H{sub 2} their behavior is consistent with multiple scattering of the projectile as discussed before [Al-Hagan et al., Nature Phys. 5, 59 (2009)]. For He the binary and recoil lobes are significantly larger than for H{sub 2} and partly cover the multiple scattering structures. To highlight these patterns we propose a alternative representation of the triply differential cross section. Nonperturbative calculations are in good agreement with the He results and show discrepancies for H{sub 2} in the recoil peak region. For H{sub 2} a perturbative approach reasonably reproduces the cross-section shape but deviates in absolute magnitude.

  13. Tracing multiple scattering patterns in absolute (e,2e) cross sections for H2 and He over a 4π solid angle

    NASA Astrophysics Data System (ADS)

    Ren, X.; Senftleben, A.; Pflüger, T.; Dorn, A.; Colgan, J.; Pindzola, M. S.; Al-Hagan, O.; Madison, D. H.; Bray, I.; Fursa, D. V.; Ullrich, J.

    2010-09-01

    Absolutely normalized (e,2e) measurements for H2 and He covering the full solid angle of one ejected electron are presented for 16 eV sum energy of both final state continuum electrons. For both targets rich cross-section structures in addition to the binary and recoil lobes are identified and studied as a function of the fixed electron’s emission angle and the energy sharing among both electrons. For H2 their behavior is consistent with multiple scattering of the projectile as discussed before [Al-Hagan , Nature Phys.PLRAAN1745-247310.1038/nphys1135 5, 59 (2009)]. For He the binary and recoil lobes are significantly larger than for H2 and partly cover the multiple scattering structures. To highlight these patterns we propose a alternative representation of the triply differential cross section. Nonperturbative calculations are in good agreement with the He results and show discrepancies for H2 in the recoil peak region. For H2 a perturbative approach reasonably reproduces the cross-section shape but deviates in absolute magnitude.

  14. Structural effects on the beta-scission reaction of alkoxyl radicals. Direct measurement of the absolute rate constants for ring opening of benzocycloalken-1-oxyl radicals.

    PubMed

    Bietti, Massimo; Lanzalunga, Osvaldo; Salamone, Michela

    2005-02-18

    [reaction: see text] The absolute rate constants for beta-scission of a series of benzocycloalken-1-oxyl radicals and of the 2-(4-methylphenyl)-2-butoxyl radical have been measured directly by laser flash photolysis. The benzocycloalken-1-oxyl radicals undergo ring opening with rates which parallel the ring strain of the corresponding cycloalkanes. In the 1-X-indan-1-oxyl radical series, ring opening is observed when X = H, Me, whereas exclusive C-X bond cleavage occurs when X = Et. The factors governing the fragmentation regioselectivity are discussed.

  15. Absolute Configuration and Conformation of Two Fráter-Seebach Alkylation Reaction Products by Film VCD and ECD Spectroscopic Analyses.

    PubMed

    Poopari, Mohammad Reza; Dezhahang, Zahra; Shen, Ke; Wang, Lei; Lowary, Todd L; Xu, Yunjie

    2015-01-02

    Two chiroptical spectroscopic techniques, namely, electronic and vibrational circular dichroism (ECD and VCD), as well as NMR spectroscopy have been utilized to determine the absolute configurations and geometries of two Fráter-Seebach alkylation reaction products with long hydrocarbon chains. The experimental studies have been complemented with density functional theory calculations. Strong characteristic bisignate VCD signatures in the carbonyl stretching region have been observed for both compounds in film state. Truncated models, i.e., without the long CH2 chains, have been utilized to examine different hydrogen-bonding topologies between two monomeric moieties and to simulate the corresponding IR and VCD spectra of the dimers. In addition, the exciton coupling model has also been applied to the -C═O groups of the two monomeric moieties, which can be coupled through intermolecular hydrogen-bonding. On the basis of these simplified approaches, the absolute configurations of the compounds have been unambiguously assigned using VCD and ECD spectroscopy. Spectral simulations in the IR and UV-vis regions have also been carried out with the full dimers to validate the fitness of the truncated model. The study shows that the combination of the film VCD and ECD techniques is a relatively straightforward method to determine the absolution configurations of such synthetic compounds.

  16. Solid-state track recorder dosimetry device to measure absolute reaction rates and neutron fluence as a function of time

    DOEpatents

    Gold, Raymond; Roberts, James H.

    1989-01-01

    A solid state track recording type dosimeter is disclosed to measure the time dependence of the absolute fission rates of nuclides or neutron fluence over a period of time. In a primary species an inner recording drum is rotatably contained within an exterior housing drum that defines a series of collimating slit apertures overlying windows defined in the stationary drum through which radiation can enter. Film type solid state track recorders are positioned circumferentially about the surface of the internal recording drum to record such radiation or its secondary products during relative rotation of the two elements. In another species both the recording element and the aperture element assume the configuration of adjacent disks. Based on slit size of apertures and relative rotational velocity of the inner drum, radiation parameters within a test area may be measured as a function of time and spectra deduced therefrom.

  17. A Macroscopic Reaction: Direct Covalent Bond Formation between Materials Using a Suzuki-Miyaura Cross-Coupling Reaction

    PubMed Central

    Sekine, Tomoko; Kakuta, Takahiro; Nakamura, Takashi; Kobayashi, Yuichiro; Takashima, Yoshinori; Harada, Akira

    2014-01-01

    Cross-coupling reactions are important to form C–C covalent bonds using metal catalysts. Although many different cross-coupling reactions have been developed and applied to synthesize complex molecules or polymers (macromolecules), if cross-coupling reactions are realized in the macroscopic real world, the scope of materials should be dramatically broadened. Here, Suzuki-Miyaura coupling reactions are realized between macroscopic objects. When acrylamide gel modified with an iodophenyl group (I-gel) reacts with a gel possessing a phenylboronic group (PB-gel) using a palladium catalyst, the gels bond to form a single object. This concept can also be adapted for bonding between soft and hard materials. I-gel or PB-gel selectively bonds to the glass substrates whose surfaces are modified with an electrophile or nucleophile, respectively. PMID:25231557

  18. Cross-coupling reactions of aryl pivalates with boronic acids.

    PubMed

    Quasdorf, Kyle W; Tian, Xia; Garg, Neil K

    2008-11-05

    The first cross-coupling of acylated phenol derivatives has been achieved. In the presence of an air-stable Ni(II) complex, readily accessible aryl pivalates participate in the Suzuki-Miyaura coupling with arylboronic acids. The process is tolerant of considerable variation in each of the cross-coupling components. In addition, a one-pot acylation/cross-coupling sequence has been developed. The potential to utilize an aryl pivalate as a directing group has also been demonstrated, along with the ability to sequentially cross-couple an aryl bromide followed by an aryl pivalate, using palladium and nickel catalysis, respectively.

  19. Absolute fragmentation cross sections in atom-molecule collisions: Scaling laws for non-statistical fragmentation of polycyclic aromatic hydrocarbon molecules

    SciTech Connect

    Chen, T.; Gatchell, M.; Stockett, M. H.; Alexander, J. D.; Schmidt, H. T.; Cederquist, H.; Zettergren, H.; Zhang, Y.; Rousseau, P.; Maclot, S.; Delaunay, R.; Adoui, L.; Domaracka, A.; Huber, B. A.

    2014-06-14

    We present scaling laws for absolute cross sections for non-statistical fragmentation in collisions between Polycyclic Aromatic Hydrocarbons (PAH/PAH{sup +}) and hydrogen or helium atoms with kinetic energies ranging from 50 eV to 10 keV. Further, we calculate the total fragmentation cross sections (including statistical fragmentation) for 110 eV PAH/PAH{sup +} + He collisions, and show that they compare well with experimental results. We demonstrate that non-statistical fragmentation becomes dominant for large PAHs and that it yields highly reactive fragments forming strong covalent bonds with atoms (H and N) and molecules (C{sub 6}H{sub 5}). Thus nonstatistical fragmentation may be an effective initial step in the formation of, e.g., Polycyclic Aromatic Nitrogen Heterocycles (PANHs). This relates to recent discussions on the evolution of PAHNs in space and the reactivities of defect graphene structures.

  20. Dynamics of alkali ions-neutral molecules reactions: Radio frequency-guided beam experimental cross-sections and direct quasiclassical trajectory studies

    SciTech Connect

    Aguilar, J.; Andres, J. de; Lucas, J. M.; Alberti, M.; Huarte-Larranaga, F.; Bassi, D.; Aguilar, A.

    2012-11-27

    Different reactive processes taking place in collisions between alkali ions and neutral i-C{sub 3}H{sub 7}Cl molecules in the low (center of mass frame) energy range have been studied using an octopole radiofrequency guided-ion-beam apparatus developed in our laboratory. Cross-section energy dependences for all these reactions have been obtained in absolute units. Ab initio electronic structure calculations for those colliding systems evolving on the ground single potential surface have given relevant information on the main topological features of the surfaces. For some of the reactions a dynamic study by 'on the fly' trajectories has complemented the available experimental and electronic structure information.

  1. Impact of Reaction Cross Section on the Unified Description of Fusion Excitation Function

    NASA Astrophysics Data System (ADS)

    Basrak, Z.; Eudes, P.; de la Mota, V.; Sébille, F.; Royer, G.

    A systematics of over 300 complete and incomplete fusion cross section data points covering energies beyond the barrier for fusion is presented. Owing to a usual reduction of the fusion cross sections by the total reaction cross sections and an original scaling of energy, a fusion excitation function common to all the data points is established. A universal description of the fusion exci- tation function relying on basic nuclear concepts is proposed and its dependence on the reaction cross section used for the cross section normalization is discussed. The pioneering empirical model proposed by Bass in 1974 to describe the complete fusion cross sections is rather successful for the incomplete fusion too and provides cross section predictions in satisfactory agreement with the observed universality of the fusion excitation function. The sophisticated microscopic transport DYWAN model not only reproduces the data but also predicts that fusion reaction mechanism disappears due to weakened nuclear stopping power around the Fermi energy.

  2. Absolute rate of the reaction of O/3-P/ with hydrogen sulfide over the temperature range 263 to 495 K

    NASA Technical Reports Server (NTRS)

    Whytock, D. A.; Timmons, R. B.; Lee, J. H.; Michael, J. V.; Payne, W. A.; Stief, L. J.

    1976-01-01

    The technique of flash photolysis coupled with time resolved detection of O via resonance fluorescence has been used to obtain rate constants for the reaction of O(3-P) with H2S at temperatures from 263 to 495 K and at pressures in the range 10-400 torr. Under conditions where secondary reactions are avoided, the measured rate constants for the primary step obey the Arrhenius equation k = (7.24 plus or minus 1.07) x 10 to the -12th exp(-3300 plus or minus 100/1.987 T) cu cm/molecules/s. Experiments with D2S show that the reaction exhibits a primary isotope effect, in support of a hydrogen abstraction mechanism.

  3. Pressure dependence of the absolute rate constant for the reaction Cl + C2H2 from 210-361 K

    NASA Technical Reports Server (NTRS)

    Brunning, J.; Stief, L. J.

    1985-01-01

    In recent years, considerable attention has been given to the role of chlorine compounds in the catalytic destruction of stratospheric ozone. However, while some reactions have been studied extensively, the kinetic data for the reaction of Cl with C2H2 is sparse with only three known determinations of the rate constant k3. The reactions involved are Cl + C2H2 yields reversibly ClC2H2(asterisk) (3a) and ClC2H2(asterisk) + M yields ClC2H2 + M (3b). In the present study, flash photolysis coupled with chlorine atomic resonance fluorescence have been employed to determine the pressure and temperature dependence of k3 with the third body M = Ar. Room temperature values are also reported for M = N2. The pressure dependence observed in the experiments confirms the expectation that the reaction involves addition of Cl to the unsaturated C2H2 molecule followed by collisional stabilization of the resulting adduct radical.

  4. Absolute rate of the reaction of C l(2P) with methane from 200-500 K

    NASA Technical Reports Server (NTRS)

    Whytock, D. A.; Lee, J. H.; Michael, J. V.; Payne, W. A.; Stief, L. J.

    1976-01-01

    Rate constants for the reaction of atomic chlorine with methane have been measured from 200-500K using the flash photolysis-resonance fluorescence technique. When the results from fourteen equally spaced experimental determinations are plotted in Arrhenius form a definite curvature is noted. The results are compared to previous work and are theoretically discussed.

  5. Concurrent Application of ANC and THM to assess the 13C(α, n)16O Absolute Cross Section at Astrophysical Energies and Possible Consequences for Neutron Production in Low-mass AGB Stars

    NASA Astrophysics Data System (ADS)

    Trippella, O.; La Cognata, M.

    2017-03-01

    The {}13{{C}}{(α ,n)}16{{O}} reaction is considered to be the main neutron source responsible for the production of heavy nuclides (from {Sr} to {Bi}) through slow n-capture nucleosynthesis (s-process) at low temperatures during the asymptotic giant branch phase of low-mass stars (≲ 3{--}4 {M}ȯ , or LMSs). In recent years, several direct and indirect measurements have been carried out to determine the cross section at the energies of astrophysical interest (around 190+/- 40 {keV}). However, they yield inconsistent results that cause a highly uncertain reaction rate and affect the neutron release in LMSs. In this work we have combined two indirect approaches, the asymptotic normalization coefficient and the Trojan horse method, to unambiguously determine the absolute value of the {}13{{C}}{(α ,n)}16{{O}} astrophysical factor. With these, we have determined a very accurate reaction rate to be introduced into astrophysical models of s-process nucleosynthesis in LMSs. Calculations using this recommended rate have shown limited variations in the production of those neutron-rich nuclei (with 86≤slant A≤slant 209) that receive contribution only by slow neutron captures.

  6. Absolute rate of the reaction of atomic hydrogen with ethylene from 198 to 320 K at high pressure

    NASA Technical Reports Server (NTRS)

    Lee, J. H.; Michael, J. V.; Payne, W. A.; Stief, L. J.

    1978-01-01

    The rate constant for the H+C2H4 reaction has been measured as a function of temperature. Experiments were performed with high pressures of Ar heat bath gas at seven temperatures from 198 to 320 K with the flash photolysis-resonance fluorescence (FP-RF) technique. Pressures were chosen so as to isolate the addition rate constant k1. The results are well represented by an Arrhenius expression. The results are compared with other studies and are theoretically discussed.

  7. Absolute rate parameters for the reaction of ground state atomic oxygen with carbonyl sulfide. [using O(3P) monitoring

    NASA Technical Reports Server (NTRS)

    Klemm, R. B.; Stief, L. J.

    1974-01-01

    The rate parameters for the reaction of O(3P) with carbonyl sulfide, O(3P) + OCS yields CO + SO have been determined directly by monitoring O(3P) using the flash photolysis-resonance fluorescence technique. The value for k sub 1 was measured over a temperature range of 263 - 502 K and the data were fitted to an Arrhenuis expression with good linearity.

  8. Absolute rate determinations and temperature dependences of the gas-phase reactions of O( 3P) with halogenated propenes

    NASA Astrophysics Data System (ADS)

    Cometto, Pablo M.; Teruel, Mariano A.; Taccone, Raúl A.; Lane, Silvia I.

    2006-01-01

    The rate constants for the gas-phase reactions of ground state oxygen atoms with CF 3CH dbnd CH 2 (1), CF 3CF dbnd CF 2 (2) and CF 3CCl dbnd CCl 2 (3) have been measured directly using a discharge flow tube employing the O( 3P) chemiluminescence titration method. The experiments were carried out under pseudo-first-order conditions with [O( 3P)] 0 ≪ [propene] 0. The temperature dependences of the reactions were studied for the first time in the range 298-363 K. The Arrhenius expressions obtained (in units of cm 3 molecule -1 s -1) were: k1 = (0.28 ± 0.09) × 10 -11 exp[-(10.4 ± 0.9) × 10 3/ RT], k2 = (1.57 ± 0.72) × 10 -11 exp[-(15.6 ± 1.3) × 10 3/ RT], k3 = (2.23 ± 1.27) × 10 -11 exp[-(16.0 ± 1.6) × 10 3/ RT]. All the rate coefficients display a positive temperature dependence which points to the importance of the irreversibility of the addition mechanism for these reactions. Halogen substitution in the alkenes is discussed in terms of reactivity with O( 3P) and its relation with the ionization potential.

  9. Total and partial cross sections of the 112Sn(α ,γ ) 116Te reaction measured via in-beam γ -ray spectroscopy

    NASA Astrophysics Data System (ADS)

    Netterdon, L.; Mayer, J.; Scholz, P.; Zilges, A.

    2015-03-01

    Background: The nucleosynthesis of the neutron-deficient p nuclei remains an open question in nuclear astrophysics. Beside uncertainties on the astrophysical side, the nuclear-physics input parameters entering Hauser-Feshbach calculations for the nucleosynthesis of the p nuclei must be put on a firm basis. Purpose: An extended database of experimental data is needed to address uncertainties of the nuclear-physics input parameters for Hauser-Feshbach calculations. Especially α + nucleus optical model potentials at low energies are not well known. The in-beam technique with an array of high-purity germanium (HPGe) detectors was successfully applied to the measurement of absolute cross sections of an (α ,γ ) reaction on a heavy nucleus at sub-Coulomb energies. Method: The total and partial cross-section values were measured by means of in-beam γ -ray spectroscopy. For this purpose, the absolute reaction yield was measured using the HPGe detector array HORUS at the FN tandem accelerator at the University of Cologne. Total and partial cross sections were measured at four different α -particle energies from Eα=10.5 MeV to Eα=12 MeV . Results: The measured total cross-section values are in excellent agreement with previous results obtained with the activation technique, which proves the validity of the applied method. With the present measurement, the discrepancy between two older data sets is removed. The experimental data was compared to Hauser-Feshbach calculations using the nuclear reaction code talys. With a modification of the semi-microscopic α + nucleus optical model potential OMP 3, the measured cross-section values are reproduced well. Moreover, partial cross sections could be measured for the first time for an (α ,γ ) reaction. Conclusions: A modified version of the semimicroscopic α + nucleus optical model potential OMP3, as well as modified proton and γ widths, are needed in order to obtain a good agreement between experimental data and theory. It

  10. Nuclear reaction cross sections of exotic nuclei in the Glauber model for relativistic mean field densities

    SciTech Connect

    Patra, S. K.; Panda, R. N.; Arumugam, P.; Gupta, Raj K.

    2009-12-15

    We have calculated the total nuclear reaction cross sections of exotic nuclei in the framework of the Glauber model, using as inputs the standard relativistic mean field (RMF) densities and the densities obtained from the more recently developed effective-field-theory-motivated RMF (the E-RMF). Both light and heavy nuclei are taken as the representative targets, and the light neutron-rich nuclei as projectiles. We found the total nuclear reaction cross section to increase as a function of the mass number, for both the target and projectile nuclei. The differential nuclear elastic scattering cross sections are evaluated for some selected systems at various incident energies. We found a large dependence of the differential elastic scattering cross section on incident energy. Finally, we have applied the same formalism to calculate both the total nuclear reaction cross section and the differential nuclear elastic scattering cross section for the recently discussed superheavy nucleus with atomic number Z=122.

  11. Absolute doubly differential cross sections for ionization of adenine by 1.0-MeV protons

    SciTech Connect

    Iriki, Y.; Kikuchi, Y.; Imai, M.; Itoh, A.

    2011-09-15

    Double-differential ionization cross sections of adenine (C{sub 5}H{sub 5}N{sub 5}) by 1.0-MeV protons have been measured using a vapor-phase adenine target. Ejected electrons were analyzed by a 45 deg. parallel-plate electrostatic spectrometer in an electron energy range from 1 to 1000 eV at electron emission angles from 15 deg. to 165 deg. The effective target thickness of adenine was determined by a Rutherford forward scattering method and a vapor deposition method. Present data are in good agreement with recent calculations. Comparisons were made with other data on various hydrocarbon molecules. It was found that the ionization cross sections of these molecules can be scaled fairly well in terms of the total number of valence electrons.

  12. Absolute excited-state absorption cross section and fluorescence quantum efficiency of Cr/sup 3 +/: gadolinium scandium gallium garnet

    SciTech Connect

    Seelert, W.; Strauss, E.

    1987-10-01

    Excited-state properties of the laser material Cr/sup 3 +/:Gd/sub 3/Sc/sub 2/(GaO/sub 4/)/sub 3/ were determined by a photocaloric technique. The excited-state absorption cross section at 650 nm is (3.6 +- 0.6)10/sup -20/ cm/sup 2/, and the fluorescence quantum efficiency at ambient temperature is (91 +- 1)%.

  13. Reaction cross sections for two direct simulation Monte Carlo models: Accuracy and sensitivity analysis

    NASA Astrophysics Data System (ADS)

    Wysong, Ingrid; Gimelshein, Sergey; Gimelshein, Natalia; McKeon, William; Esposito, Fabrizio

    2012-04-01

    The quantum kinetic chemical reaction model proposed by Bird for the direct simulation Monte Carlo method is based on collision kinetics with no assumed Arrhenius-related parameters. It demonstrates an excellent agreement with the best estimates for thermal reaction rates coefficients and with two-temperature nonequilibrium rate coefficients for high-temperature air reactions. This paper investigates this model further, concentrating on the non-thermal reaction cross sections as a function of collision energy, and compares its predictions with those of the earlier total collision energy model, also by Bird, as well as with available quasi-classical trajectory cross section predictions (this paper also publishes for the first time a table of these computed reaction cross sections). A rarefied hypersonic flow over a cylinder is used to examine the sensitivity of the number of exchange reactions to the differences in the two models under a strongly nonequilibrium velocity distribution.

  14. M1 and E1 transition cross sections in D(y->,n) reactions near reaction threshold

    SciTech Connect

    Iwamoto, C.; Akimune, H.; Utsunomiya, H.; Yamagata, T.; Kondo, T.; Kamata, M.; Toyokawa, H.; Harano, H.; Matsumoto, T.; Lui, Y.-W.

    2010-06-01

    M1 and E1 transition cross sections in the D(y->, n) reaction were separately determined by measuring the analyzing power for emitted neutrons with linearly-polarized gamma rays at four energies between 2.26 MeV and 3.70 MeV near reaction threshold at 2.224 MeV. We compared the experimental result with the JENDL evaluated data.

  15. Total reaction cross sections in CEM and MCNP6 at intermediate energies

    SciTech Connect

    Kerby, Leslie M.; Mashnik, Stepan G.

    2015-05-14

    Accurate total reaction cross section models are important to achieving reliable predictions from spallation and transport codes. The latest version of the Cascade Exciton Model (CEM) as incorporated in the code CEM03.03, and the Monte Carlo N-Particle transport code (MCNP6), both developed at Los Alamos National Laboratory (LANL), each use such cross sections. Having accurate total reaction cross section models in the intermediate energy region (50 MeV to 5 GeV) is very important for different applications, including analysis of space environments, use in medical physics, and accelerator design, to name just a few. The current inverse cross sections used in the preequilibrium and evaporation stages of CEM are based on the Dostrovsky et al. model, published in 1959. Better cross section models are now available. Implementing better cross section models in CEM and MCNP6 should yield improved predictions for particle spectra and total production cross sections, among other results.

  16. Comprehensive panel of real-time TaqMan polymerase chain reaction assays for detection and absolute quantification of filoviruses, arenaviruses, and New World hantaviruses.

    PubMed

    Trombley, Adrienne R; Wachter, Leslie; Garrison, Jeffrey; Buckley-Beason, Valerie A; Jahrling, Jordan; Hensley, Lisa E; Schoepp, Randal J; Norwood, David A; Goba, Augustine; Fair, Joseph N; Kulesh, David A

    2010-05-01

    Viral hemorrhagic fever is caused by a diverse group of single-stranded, negative-sense or positive-sense RNA viruses belonging to the families Filoviridae (Ebola and Marburg), Arenaviridae (Lassa, Junin, Machupo, Sabia, and Guanarito), and Bunyaviridae (hantavirus). Disease characteristics in these families mark each with the potential to be used as a biological threat agent. Because other diseases have similar clinical symptoms, specific laboratory diagnostic tests are necessary to provide the differential diagnosis during outbreaks and for instituting acceptable quarantine procedures. We designed 48 TaqMan-based polymerase chain reaction (PCR) assays for specific and absolute quantitative detection of multiple hemorrhagic fever viruses. Forty-six assays were determined to be virus-specific, and two were designated as pan assays for Marburg virus. The limit of detection for the assays ranged from 10 to 0.001 plaque-forming units (PFU)/PCR. Although these real-time hemorrhagic fever virus assays are qualitative (presence of target), they are also quantitative (measure a single DNA/RNA target sequence in an unknown sample and express the final results as an absolute value (e.g., viral load, PFUs, or copies/mL) on the basis of concentration of standard samples and can be used in viral load, vaccine, and antiviral drug studies.

  17. The Status of Cross Section Measurements for Neutron-induced Reactions Needed for Cosmic Ray Studies

    NASA Technical Reports Server (NTRS)

    Sisterson, J. M.

    2003-01-01

    Cosmic ray interactions with lunar rocks and meteorites produce small amounts of radionuclides and stable isotopes. Advances in Accelerator Mass Spectrometry (AMS) allow production rates to be measured routinely in well-documented lunar rocks and meteorites. These measurements are analyzed using theoretical models to learn about the object itself and the history of the cosmic rays that fell on it. Good cross section measurements are essential input to the theoretical calculations. Most primary cosmic ray particles are protons so reliable cross sections for proton-induced reactions are essential. A cross section is deemed accurate if measurements made by different experimenters using different techniques result in consistent values. Most cross sections for proton induced reactions are now well measured. However, good cross section measurements for neutron-induced reactions are still needed. These cross sections are required to fully account for all galactic cosmic ray interactions at depth in an extraterrestrial object. When primary galactic cosmic ray (GCR) particles interact with an object many secondary neutrons are produced, which also initiate spallation reactions. Thus, the total GCR contribution to the overall cosmogenic nuclide archive has to include the contribution from the secondary neutron interactions. Few relevant cross section measurements have been reported for neutron-induced reactions at neutron energies greater than approximately 20 MeV. The status of the cross section measurements using quasi-monoenergetic neutron energies at iThemba LABS, South Africa and white neutron beams at Los Alamos Neutron Science Center (LANSCE), Los Alamos are reported here.

  18. A study of the valence shell absolute photoabsorption, photoionisation and photodissociation cross sections and the photoionisation quantum efficiency of carbonyl sulphide

    NASA Astrophysics Data System (ADS)

    Holland, D. M. P.; Shaw, D. A.

    2016-11-01

    The absolute photoabsorption, photoionisation and photodissociation cross sections and the photoionisation quantum efficiency of carbonyl sulphide have been measured using a double ion chamber and synchrotron radiation in the energy range from the ionisation threshold to 24 eV. In addition to the absorption bands associated with well established Rydberg series, some previously unassigned features have been tentatively attributed to an f-type Rydberg series converging onto the B ˜ 2Σ+ state ionisation threshold. Structure appearing in the photodissociation spectrum has been correlated with that observed in earlier fluorescence yields for emission, due mainly to the CS photofragment, occurring between 160 and 300 nm. The photoionisation quantum efficiency reaches a plateau value close to unity for energies above ∼16 eV. The predissociation of Rydberg states into neutral fragments does not appear to affect the photoionisation quantum efficiency of carbonyl sulphide to the extent that is commonly observed in other small molecules. A sum rule analysis has been carried out by combining the present absolute photoabsorption measurements with similar data covering the remaining energy regions.

  19. Measurement of absolute charge-exchange cross sections for He{sup 2+} collisions with He and H{sub 2}

    SciTech Connect

    Mawhorter, R. J.; Greenwood, J. B.; Chutjian, A.; Simcic, J.; Haley, T.; Mitescu, C. D.

    2011-11-15

    Reported are total, absolute charge-exchange cross sections for collisions of {sup 3}He{sup 2+} ions with He and H{sub 2}. Measurements are reported at fixed energies between 0.33 and 4.67 keV/amu. Both the present results and earlier results of others are analyzed in terms of available experimental small-angle differential cross sections as a function of collision energy, and hence the geometry of the exit aperture of the gas-collision cells used by the various experimental groups. In addition, the effective length of gas-collision cells is studied using fluid dynamic and molecular flow simulations to address the density patterns near the cell entrance and exit apertures. When small acceptance-angle corrections were applied, the results of present and previous measurements for the single electron capture in these systems were brought into good accord in the relevant energy ranges. Taken in their entirety, the present data for {sup 3}He{sup 2+} with He and H{sub 2} lend themselves to new theoretical calculations of the multichannel charge-exchange cross sections.

  20. A high-performance liquid chromatography-electronic circular dichroism online method for assessing the absolute enantiomeric excess and conversion ratio of asymmetric reactions.

    PubMed

    Zhang, Xiang; Wang, Mingchao; Li, Li; Yin, Dali

    2017-03-02

    Asymmetric reactions often need to be evaluated during the synthesis of chiral compounds. However, traditional evaluation methods require the isolation of the individual enantiomer, which is tedious and time-consuming. Thus, it is desirable to develop simple, practical online detection methods. We developed a method based on high-performance liquid chromatography-electronic circular dichroism (HPLC-ECD) that simultaneously analyzes the material conversion ratio and absolute optical purity of each enantiomer. In particular, only a reverse-phase C18 column instead of a chiral column is required in our method because the ECD measurement provides a g-factor that describes the ratio of each enantiomer in the mixtures. We used our method to analyze the asymmetric hydrosilylation of β-enamino esters, and we discussed the advantage, feasibility, and effectiveness of this new methodology.

  1. 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).

  2. A high-performance liquid chromatography-electronic circular dichroism online method for assessing the absolute enantiomeric excess and conversion ratio of asymmetric reactions

    PubMed Central

    Zhang, Xiang; Wang, Mingchao; Li, Li; Yin, Dali

    2017-01-01

    Asymmetric reactions often need to be evaluated during the synthesis of chiral compounds. However, traditional evaluation methods require the isolation of the individual enantiomer, which is tedious and time-consuming. Thus, it is desirable to develop simple, practical online detection methods. We developed a method based on high-performance liquid chromatography-electronic circular dichroism (HPLC-ECD) that simultaneously analyzes the material conversion ratio and absolute optical purity of each enantiomer. In particular, only a reverse-phase C18 column instead of a chiral column is required in our method because the ECD measurement provides a g-factor that describes the ratio of each enantiomer in the mixtures. We used our method to analyze the asymmetric hydrosilylation of β-enamino esters, and we discussed the advantage, feasibility, and effectiveness of this new methodology. PMID:28252028

  3. A high-performance liquid chromatography-electronic circular dichroism online method for assessing the absolute enantiomeric excess and conversion ratio of asymmetric reactions

    NASA Astrophysics Data System (ADS)

    Zhang, Xiang; Wang, Mingchao; Li, Li; Yin, Dali

    2017-03-01

    Asymmetric reactions often need to be evaluated during the synthesis of chiral compounds. However, traditional evaluation methods require the isolation of the individual enantiomer, which is tedious and time-consuming. Thus, it is desirable to develop simple, practical online detection methods. We developed a method based on high-performance liquid chromatography-electronic circular dichroism (HPLC-ECD) that simultaneously analyzes the material conversion ratio and absolute optical purity of each enantiomer. In particular, only a reverse-phase C18 column instead of a chiral column is required in our method because the ECD measurement provides a g-factor that describes the ratio of each enantiomer in the mixtures. We used our method to analyze the asymmetric hydrosilylation of β-enamino esters, and we discussed the advantage, feasibility, and effectiveness of this new methodology.

  4. Measurement of absolute hadronic branching fractions of D mesons and e+e- -->DD cross sections at Ec.m.=3773 MeV.

    PubMed

    He, Q; Muramatsu, H; Park, C S; Park, W; Thorndike, E H; Coan, T E; Gao, Y S; Liu, F; Artuso, M; Boulahouache, C; Blusk, S; Butt, J; Dambasuren, E; Dorjkhaidav, O; Li, J; Menaa, N; Mountain, R; Nandakumar, R; Randrianarivony, K; Redjimi, R; Sia, R; Skwarnicki, T; Stone, S; Wang, J C; Zhang, K; Csorna, S E; Bonvicini, G; Cinabro, D; Dubrovin, M; Briere, R A; Chen, G P; Chen, J; Ferguson, T; Tatishvili, G; Vogel, H; Watkins, M E; Rosner, J L; Adam, N E; Alexander, J P; Berkelman, K; Cassel, D G; Crede, V; Duboscq, J E; Ecklund, K M; Ehrlich, R; Fields, L; Gibbons, L; Gittelman, B; Gray, R; Gray, S W; Hartill, D L; Heltsley, B K; Hertz, D; Hsu, L; Jones, C D; Kandaswamy, J; Kreinick, D L; Kuznetsov, V E; Mahlke-Krüger, H; Meyer, T O; Onyisi, P U E; Patterson, J R; Peterson, D; Phillips, E A; Pivarski, J; Riley, D; Ryd, A; Sadoff, A J; Schwarthoff, H; Shi, X; Shepherd, M R; Stroiney, S; Sun, W M; Urner, D; Weaver, K M; Wilksen, T; Weinberger, M; Athar, S B; Avery, P; Breva-Newell, L; Patel, R; Potlia, V; Stoeck, H; Yelton, J; Rubin, P; Cawlfield, C; Eisenstein, B I; Gollin, G D; Karliner, I; Kim, D; Lowrey, N; Naik, P; Sedlack, C; Selen, M; Williams, J; Wiss, J; Edwards, K W; Besson, D; Pedlar, T K; Cronin-Hennessy, D; Gao, K Y; Gong, D T; Hietala, J; Kubota, Y; Klein, T; Lang, B W; Li, S Z; Poling, R; Scott, A W; Smith, A; Dobbs, S; Metreveli, Z; Seth, K K; Tomaradze, A; Zweber, P; Ernst, J; Mahmood, A H; Severini, H; Asner, D M; Dytman, S A; Love, W; Mehrabyan, S; Mueller, J A; Savinov, V; Li, Z; Lopez, A; Mendez, H; Ramirez, J; Huang, G S; Miller, D H; Pavlunin, V; Sanghi, B; Shipsey, I P J; Adams, G S; Chasse, M; Cravey, M; Cummings, J P; Danko, I; Napolitano, J

    2005-09-16

    Using 55.8 pb(-1) of e+e- collisions recorded at the psi(3770) resonance with the CLEO-c detector at CESR, we determine absolute hadronic branching fractions of charged and neutral D mesons using a double tag technique. Among measurements for three D0 and six D+ modes, we obtain reference branching fractions B(D0-->K-pi+)=(3.91+/-0.08+/-0.09)% and B(D+-->K-pi+pi+)=(9.5+/-0.2+/-0.3)%, where the uncertainties are statistical and systematic, respectively. Final state radiation is included in these branching fractions by allowing for additional, unobserved, photons in the final state. Using a determination of the integrated luminosity, we also extract the cross sections sigma(e+e- -->D0D0)=(3.60+/-0.07(+0.07)(-0.05)) nb and sigma(e+e- -->D+D-)=(2.79+/-0.07(+0.10)(-0.04)) nb.

  5. Absolute cross section measurements of neutron-induced fission of 242Pu from 1 to 2.5 MeV

    NASA Astrophysics Data System (ADS)

    Matei, C.; Belloni, F.; Heyse, J.; Plompen, A. J. M.; Thomas, D. J.

    2017-02-01

    The absolute neutron-induced fission cross section of 242Pu was measured at five energies between 1 and 2.5 MeV at the low-scatter neutron measurement facility of the National Physical Laboratory, UK. The measurements are part of an effort to reduce uncertainties of nuclear data related to fast spectrum reactors. The neutron-induced fission results are in good agreement with the Evaluated Nuclear Data File/B-VII.1 but disagree with several recent measurements near the resonance-like structure around 1.1 MeV. Within the same experimental campaign, the spontaneous fission half-life of 242Pu was measured and it is in good agreement with previous results.

  6. Partial gamma-ray cross section measurements in 109Ag(n, x n y p gamma) reactions

    SciTech Connect

    Fotiadis, Nikolaos; Devlin, Matthew James; Nelson, Ronald Owen; Carroll, James

    2015-06-02

    We report on absolute partial cross sections for production of discrete γ-rays using 109Ag(n, xnypγ) reactions with x ≤ 7 and y ≤ 1 in a total of 12 reaction channels. The data were taken using the GEANIE spectrometer comprised of 20 high-purity Ge detectors with 20 BGO escape-suppression shields. The broad-spectrum pulsed neutron beam of the Los Alamos Neutron Science Center’s (LANSCE) WNR facility provided neutrons in the energy range from 0.2 to 300 MeV. The time-of- flight technique was used to determine the incident neutron energies. Partial γ-ray cross sections have been measured for a total of 109 transitions and for neutron energies 0.8 MeV< En<300 MeV. An estimate of the population of isomers in the (n, n'), (n, 2n) and (n, 3n) channels was made.

  7. Actinide cross sections from the reaction of sup 13 C with sup 254 Es sup g

    SciTech Connect

    Moody, K.J.; Lougheed, R.W.; Dougan, R.J.; Hulet, E.K.; Wild, J.F.; Summerer, K.; Hahn, R.L.; Aarle, J.v.; Bethune, G.R. )

    1990-01-01

    We have measured cross sections for the formation of actinide transfer products in the reaction of 72-MeV {sup 13}C projectiles with {sup 254}Es{sup {ital g}} targets. The pattern of nuclide yields is similar to those observed in the reactions of heavier ions with {sup 254}Es{sup {ital g}}. We have constructed the primary element yields from these results and show that the total cross section for transfer reactions is 58 mb. The total reaction cross section is about 300 mb. Lawrencium isotopes are formed with larger cross sections than are consistent with the trends of the transfer-product distributions; we explain this in terms of massive transfer, and model the lawrencium yields with an evaporation code.

  8. Total reaction cross sections for 8Li + 90Zr at near-barrier energies

    NASA Astrophysics Data System (ADS)

    Pakou, A.; Pierroutsakou, D.; Mazzocco, M.; Acosta, L.; Aslanoglou, X.; Boiano, A.; Boiano, C.; Carbone, D.; Cavallaro, M.; Grebosz, J.; Keeley, N.; La Commara, M.; Manea, C.; Marquinez-Duran, G.; Martel, I.; Parascandolo, C.; Rusek, K.; Sánchez-Benítez, A. M.; Sgouros, O.; Signorini, C.; Soramel, F.; Soukeras, V.; Stiliaris, E.; Strano, E.; Torresi, D.; Trzcinska, A.; Watanabe, Y. X.; Yamaguchi, H.

    2015-05-01

    Total reaction cross sections for the radioactive nucleus 8Li on 90Zr are reported at the near-barrier energies of 18.5 and 21.5MeV, derived from quasi-elastic scattering measurements. An analysis of the quasi-elastic scattering results is performed within an optical model framework using the BDM3Y1 interaction and total reaction cross sections are deduced. These quantities, appropriately reduced, are compared with previous data obtained in elastic scattering measurements with well and weakly bound projectiles on various targets and a formula for predicting total reaction cross sections with an uncertainty of % is obtained. Further on, the ratios of direct to total reaction cross sections are estimated for 6,8Li on various targets and are compared with CDCC or CRC calculations. The energy dependence of the optical potential is also discussed.

  9. 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.

  10. Iron-catalyzed cross-coupling reactions of alkyl Grignards with aryl sulfamates and tosylates.

    PubMed

    Agrawal, Toolika; Cook, Silas P

    2013-01-04

    The iron-catalyzed cross-coupling of aryl sulfamates and tosylates has been achieved with primary and secondary alkyl Grignards. This study of iron-catalyzed cross-coupling reactions also examines the isomerization and β-hydride elimination problems that are associated with the use of isopropyl nucleophiles. While a variety of iron sources were competent in the reaction, the use of FeF(3)•3H(2)O was critical to minimize nucleophile isomerization.

  11. Reaction cross sections of intermediate energy {alpha} particles within a relativistic optical model

    SciTech Connect

    Ait-Tahar, S.; Nedjadi, Y.

    1995-07-01

    The suggestion made recently by H. Abele {ital et} {ital al}. that relativistic effects in the interaction of alpha particles with various nuclei at intermediate energies may remove the existing discrepancy between the theoretical predictions and the experimental data for the reaction cross section is investigated. We use a relativistic model based on the Kemmer-Duffin-Petiau equation and find that relativistic effects do not lead to a reduction in the reaction cross section within the present approach. Alternative explanations are discussed.

  12. Nuclear Reaction Data from Surrogate Measurements: A Consideration of (n,f) Cross Sections

    SciTech Connect

    Escher, J E; Bernstein, L A; Burke, J T; Dietrich, F S; Lyles, B F

    2007-07-30

    A brief summary of the Surrogate reaction method, an indirect approach for determining compound-nuclear reaction cross sections, is presented. The possibilities for obtaining accurate (n,f) cross sections from Surrogate measurements that are analyzed in the Weisskopf-Ewing and Ratio approximations are considered. Theoretical studies and benchmark experiments that provide new insights into the validity and limitations of the Surrogate approach, are discussed.

  13. Heavy actinide cross sections in the /sup 238/U + /sup 248/Cm reaction

    SciTech Connect

    Kratz, J V; Bruechle, W; Gaeggeler, H

    1981-01-01

    Cross sections for the production of Cf, Es, Fm, and Md isotopes in the reactions of 7.4 MeV/u /sup 238/U-ions with /sup 248/Cm targets are presented and discussed. Cross sections for the formation of heavy actinides in the reactions of 7.5 MeV/u /sup 136/Xe and /sup 238/U-projectiles with /sup 238/U-targets are presented for comparison. (WHK)

  14. Theoretical cross sections of tantalum on neutron induced reactions

    NASA Astrophysics Data System (ADS)

    Siddik, Tarik

    2016-11-01

    Neutron-induced cross-sections for the stable isotope 181Ta, in the energy region up to 20 MeV have been calculated. Statistical model calculations, based on the Hauser-Feshbach formalism, have been carried out using the TALYS-1.0 and were compared with available experimental data in the literature and with ENDF/B-VII, T = 300 K; JENDL-3.3, T = 300 K and JEFF-3.1, T = 300 K evaluated libraries.

  15. Semiclassical calculations of observable cross sections in breakup reactions

    SciTech Connect

    Marta, H. D.; Canto, L. F.; Donangelo, R.

    2008-09-15

    We develop a semiclassical procedure to calculate breakup reaction products' angular and energy distributions in the laboratory frame of reference. The effects of the Coulomb and nuclear interaction potentials on the classical trajectories, as well as bound-bound, bound-continuum, and continuum-continuum couplings, are included. As an example we consider the {sup 8}B+{sup 58}Ni system at E{sub lab}=26 MeV and find very good agreement with the available experimental data.

  16. Cross sections of deposited layers investigated by micronuclear reaction analysis

    NASA Astrophysics Data System (ADS)

    Jet-Efda Contributors Petersson, P.; Bergsåker, H.; Possnert, G.; Coad, J. P.; Likonen, J.; Koivuranta, S.; Hakola, A.

    2011-08-01

    Cross sections of deposited layers from the divertor of the Joint European Torus (JET) have been investigated, microscopically and by ion microbeam analysis. The thickness of these layers on the studied samples varies between about 50 μm and 800 μm depending on the exposure time and poloidal location of the sample. For most of the thicker layers a laminar structure is observed. In some locations changes, such as gaps, are also observed along the laminar structure as well as more complex structures. The possibility to use the layers as historical reference was also investigated.

  17. Monoclonal Antibody Cross-Reactions between Drosophila and Human Brain

    NASA Astrophysics Data System (ADS)

    Miller, Carol A.; Benzer, Seymour

    1983-12-01

    A panel of 146 monoclonal antibodies (MAbs), obtained with Drosophila melanogaster tissue as primary immunogen, was tested for cross-reactivity with the human central nervous system. Sites examined included spinal cord, cerebellum, hippocampus, and optic nerve. Nonnervous tissues tested were liver and lymph node. Approximately half of the antibodies reacted with one or more sites in the human central nervous system, identifying regional, cell class, and subcellular antigens. Some recognized neuronal, glial, or axonal subsets. Immunoblot analysis revealed that some antibodies reacted with similar antigen patterns in both species.

  18. Reaction Cross Sections for Two DSMC Models: Accuracy and Sensitivity Analysis

    DTIC Science & Technology

    2011-11-15

    trajectory (QCT) cross sections for N2+N dissociation and for N2+O endothermic exchange pro- vide a good test case. A DSMC simulation of a simple... endothermic reactions considered here, we have made the common simplifying assumption that Ea is equal to the heat of reaction. However, since some reactions...especially exothermic ones) have a non- negligible energy barrier, the QK model (like all others) in these cases would have to use an adjustable input

  19. Crossed McMurry Coupling Reactions for Porphycenic Macrocycles: Non-Statistical Selectivity and Rationalisation.

    PubMed

    Cowie, Thomas Y; Kennedy, Lorna; Żurek, Justyna M; Paterson, Martin J; Bebbington, Magnus W P

    2015-06-01

    Crossed McMurry reactions of bifuran- or bithiophenedicarbaldehydes with bipyrroledicarbaldehydes have been studied for the first time. Only those porphycenic macrocycles derived from homocoupled McMurry products were formed. The results are explained by using both density functional theory and electron propagator computations to model the electron affinity of the dialdehyde starting materials. It was predicted that bifuran\\bithiophene cross-coupling would indeed occur, and this was demonstrated by the first synthesis of a novel dioxa,dithio hetero-porphycenoid annulene. This approach will allow the prior identification of viable substrates for related crossed McMurry reactions.

  20. Crossed McMurry Coupling Reactions for Porphycenic Macrocycles: Non-Statistical Selectivity and Rationalisation

    PubMed Central

    Cowie, Thomas Y; Kennedy, Lorna; Żurek, Justyna M; Paterson, Martin J; Bebbington, Magnus W P

    2015-01-01

    Crossed McMurry reactions of bifuran- or bithiophenedicarbaldehydes with bipyrroledicarbaldehydes have been studied for the first time. Only those porphycenic macrocycles derived from homocoupled McMurry products were formed. The results are explained by using both density functional theory and electron propagator computations to model the electron affinity of the dialdehyde starting materials. It was predicted that bifuran\\bithiophene cross-coupling would indeed occur, and this was demonstrated by the first synthesis of a novel dioxa,dithio hetero-porphycenoid annulene. This approach will allow the prior identification of viable substrates for related crossed McMurry reactions. PMID:26213484

  1. Absolute quantification of myosin heavy chain isoforms by selected reaction monitoring can underscore skeletal muscle changes in a mouse model of amyotrophic lateral sclerosis.

    PubMed

    Peggion, Caterina; Massimino, Maria Lina; Biancotto, Giancarlo; Angeletti, Roberto; Reggiani, Carlo; Sorgato, Maria Catia; Bertoli, Alessandro; Stella, Roberto

    2017-03-01

    Skeletal muscle fibers contain different isoforms of myosin heavy chain (MyHC) that define distinctive contractile properties. In light of the muscle capacity to adapt MyHC expression to pathophysiological conditions, a rapid and quantitative assessment of MyHC isoforms in small muscle tissue quantities would represent a valuable diagnostic tool for (neuro)muscular diseases. As past protocols did not meet these requirements, in the present study we applied a targeted proteomic approach based on selected reaction monitoring that allowed the absolute quantification of slow and fast MyHC isoforms in different mouse skeletal muscles with high reproducibility. This mass-spectrometry-based method was validated also in a pathological specimen, by comparison of the MyHC expression profiles in different muscles from healthy mice and a genetic mouse model of amyotrophic lateral sclerosis (ALS) expressing the SOD1(G93A) mutant. This analysis showed that terminally ill ALS mice have a fast-to-slow shift in the fiber type composition of the tibialis anterior and gastrocnemius muscles, as previously reported. These results will likely open the way to accurate and rapid diagnoses of human (neuro)muscular diseases by the proposed method. Graphical Abstract Methods for myosin heavy chain (MyHC) quantification: a comparison of classical methods and selected reaction monitoring (SRM)-based mass spectrometry approaches.

  2. Absolute Zero

    NASA Astrophysics Data System (ADS)

    Donnelly, Russell J.; Sheibley, D.; Belloni, M.; Stamper-Kurn, D.; Vinen, W. F.

    2006-12-01

    Absolute Zero is a two hour PBS special attempting to bring to the general public some of the advances made in 400 years of thermodynamics. It is based on the book “Absolute Zero and the Conquest of Cold” by Tom Shachtman. Absolute Zero will call long-overdue attention to the remarkable strides that have been made in low-temperature physics, a field that has produced 27 Nobel Prizes. It will explore the ongoing interplay between science and technology through historical examples including refrigerators, ice machines, frozen foods, liquid oxygen and nitrogen as well as much colder fluids such as liquid hydrogen and liquid helium. A website has been established to promote the series: www.absolutezerocampaign.org. It contains information on the series, aimed primarily at students at the middle school level. There is a wealth of material here and we hope interested teachers will draw their student’s attention to this website and its substantial contents, which have been carefully vetted for accuracy.

  3. Calculation of evaporation residue cross sections for the synthesis of superheavy nuclei in hot fusion reactions

    NASA Astrophysics Data System (ADS)

    Zhang, Jinjuan; Wang, Chengbin; Ren, Zhongzhou

    2013-07-01

    A systematic calculation of the production cross sections of superheavy elements (SHEs) in hot fusion reactions is performed. First, we analyze the reactions of 48Ca + 238U, 244Pu, and 248Cm, from which the parameter values in the model for each process are determined by comparing the calculated capture, fusion, and evaporation residue (ER) cross sections, respectively, with the measured data. Then, we calculate the ER cross sections of other hot fusion reactions with the derived parameter values. The calculated results are in good agreement with the available data. Furthermore, the possible isotope production cross sections of elements 118 and 117 in the reactions of 48Ca + ACf and ABk are computed. We find that with the increase of the neutron number of the target, the production cross sections of the SHEs increase, primarily caused by the smaller neutron separation energies of the corresponding neutron-rich compound nucleus (CN). Finally, the production cross sections of elements 120 and 119 are evaluated in fusion-evaporation reactions with 50Ti as a projectile.

  4. Cross-allergic reactions to legumes in lupin and fenugreek-sensitized mice.

    PubMed

    Vinje, N E; Namork, E; Løvik, M

    2012-10-01

    Several legumes may induce allergy, and there is extensive serological cross-reactivity among legumes. This cross-reactivity has traditionally been regarded to have limited clinical relevance. However, the introduction of novel legumes to Western countries may have changed this pattern, and in some studies cross-allergy to lupin has been reported in more than 60% of peanut-allergic patients. We wanted to explore cross-reactions among legumes using two newly established mouse models of food allergy. Mice were immunized perorally with fenugreek or lupin with cholera toxin as adjuvant. The mice were challenged with high doses of fenugreek, lupin, peanut or soy, and signs of anaphylactic reactions were observed. Cross-allergic mechanisms were investigated using serum mouse mast cell protease-1 (MMCP-1), antibody responses, immunoblotting and ex vivo production of cytokines by spleen cells. Signs of cross-allergy were observed for all the tested legumes in both models. The cross-allergic symptoms were milder and affected fewer mice than the primary allergic responses. The cross-allergy was reflected to a certain extent in the antibody and T-cell responses, but not in serum MMCP-1 levels. Cross-allergy to peanut, soy, fenugreek and lupin was observed in lupin-sensitized and fenugreek-sensitized mice. Differences in serological responses between primary allergy and cross-allergy might be due to mediation through different immune mechanisms or reflect different epitope affinity to IgE. These differences need to be further investigated.

  5. Reaction Mechanism of Oxygen Atoms with Unsaturated Hydrocarbons by the Crossed-Molecular-Beams Method

    DOE R&D Accomplishments Database

    Buss, R. J.; Baseman, R. J.; Guozhong, H.; Lee, Y. T.

    1982-04-01

    From a series of studies of the reaction of oxygen atoms with unsaturated hydrocarbons using the crossed molecular beam method, the dominant reaction mechanisms were found to be the simple substitution reactions with oxygen atoms replacing H, Cl, Br atom or alkyl groups. Complication due to secondary reaction was avoided by carrying out experiments under single collisions and observing primary products directly. Primary products were identified by measuring the angular and velocity distributions of products at all the mass numbers which could be detected by the mass spectrometer, and from comparison of these distributions, applying the requirement of energy and momentum conservation.

  6. Reactions of nitroxides 15. Cinnamates bearing a nitroxyl moiety synthesized using a Mizoroki-Heck cross-coupling reaction.

    PubMed

    Zakrzewski, Jerzy; Huras, Bogumiła

    2015-01-01

    Cinnamic acid derivatives bearing a nitroxyl moiety (2,2,6,6-tetramethyl-1-oxyl-4-piperidyl 3-E-aryl acrylates) were synthesized in 30-100% yield using a Mizoroki-Heck cross-coupling reaction between 4-acryloyloxy-2,2,6,6-tetramethylpiperidine-1-oxyl and iodobenzene derivatives in the presence of palladium(II) acetate coordinated with a tri(o-tolyl)phosphine ligand immobilized in a polyurea matrix.

  7. Reactions of nitroxides 15. Cinnamates bearing a nitroxyl moiety synthesized using a Mizoroki–Heck cross-coupling reaction

    PubMed Central

    Huras, Bogumiła

    2015-01-01

    Summary Cinnamic acid derivatives bearing a nitroxyl moiety (2,2,6,6-tetramethyl-1-oxyl-4-piperidyl 3-E-aryl acrylates) were synthesized in 30–100% yield using a Mizoroki–Heck cross-coupling reaction between 4-acryloyloxy-2,2,6,6-tetramethylpiperidine-1-oxyl and iodobenzene derivatives in the presence of palladium(II) acetate coordinated with a tri(o-tolyl)phosphine ligand immobilized in a polyurea matrix. PMID:26199672

  8. Absolute Summ

    NASA Astrophysics Data System (ADS)

    Phillips, Alfred, Jr.

    Summ means the entirety of the multiverse. It seems clear, from the inflation theories of A. Guth and others, that the creation of many universes is plausible. We argue that Absolute cosmological ideas, not unlike those of I. Newton, may be consistent with dynamic multiverse creations. As suggested in W. Heisenberg's uncertainty principle, and with the Anthropic Principle defended by S. Hawking, et al., human consciousness, buttressed by findings of neuroscience, may have to be considered in our models. Predictability, as A. Einstein realized with Invariants and General Relativity, may be required for new ideas to be part of physics. We present here a two postulate model geared to an Absolute Summ. The seedbed of this work is part of Akhnaton's philosophy (see S. Freud, Moses and Monotheism). Most important, however, is that the structure of human consciousness, manifest in Kenya's Rift Valley 200,000 years ago as Homo sapiens, who were the culmination of the six million year co-creation process of Hominins and Nature in Africa, allows us to do the physics that we do. .

  9. Differential and angle-integrated cross sections for the 40Ca(n, α)37Ar reaction from 4.0 to 6.5 MeV

    NASA Astrophysics Data System (ADS)

    Han, Jinhua; Liu, Jiaming; Liu, Xiang; Fan, Xiao; Wang, Zhimin; Chen, Jinxiang; Zhang, Guohui; Gledenov, Yu. M.; Sedysheva, M. V.; Krupa, L.; Khuukhenkhuu, G.; Szalanski, P. J.

    2015-01-01

    Differential cross sections for the 40 Ca( n,) , and reactions are measured at neutron energies of 4.0, 4.5, 5.0, 5.5, 6.0 and 6.5MeV using a double-section gridded ionization chamber and two CaF2 samples. Monoenergetic neutrons were produced through the 2 H( d, n)3 He reaction with a deuterium gas target. A BF3 neutron counter was utilized to normalize the neutron flux among different measurements. The absolute value of neutron flux was calibrated using a 238U sample. Angle-integrated cross sections for the 40 Ca( n,) , and reactions are obtained from the integration of the differential data. Model calculations are performed using the TALYS-1.6 code and general agreement is achieved between measurements and calculations. Then the total 40Ca( n,)37Ar cross sections are derived from the angle-integrated cross sections combined with the code calculations. Present results are compared with existing measurements and evaluations.

  10. Absolute Determination for the Sodium-22(p,gamma)Magnesium-23 Reaction Rate: Consequences for Nucleosynthesis of Sodium-22 in Novae

    NASA Astrophysics Data System (ADS)

    Sallaska, Anne L.

    2010-11-01

    Hydrodynamic simulations of classical novae on ONe white dwarfs predict substantial production of 22Na. Observation of 22Na decay should be correlated with the corresponding nova because the half life of 22Na is only 2.6 years. The 1275-keV gamma ray from the beta decay of 22Na is, therefore, an excellent diagnostic for the nova phenomenon and a long-sought target of gamma-ray telescopes. Nova simulations determine the maximum 22Na-detection distance to be < 1 kpc for the INTEGRAL spectrometer SPI, consistent with its non-observation to date. However, model estimates are strongly dependent on the thermonuclear rate of the 22Na(p, gamma)23Mg reaction, which is the main destruction mechanism of 22Na in novae. The 22Na(p,gamma)23Mg rate is expected to be dominated by narrow, isolated resonances with Ep < 300 key. The currently employed rate is based on a single set of absolute resonance-strength measurements with Ep ≥ 290 keV, and one relative measurement of resonances with Ep ≥ 214 keV. Recently, a new level has been found in 23Mg which would correspond to a resonance at Ep = 198 keV that might dominate the reaction rate at nova temperatures. We have measured the 22Na(p, gamma) 23Mg resonance strengths directly and absolutely, in addition to resonance energies and branches. Proton beams were produced at the University of Washington and delivered to a specially designed beam line that included rastering and cold vacuum protection of the 22Na-implanted targets (fabricated at TRIUMF-ISAC). Two high-purity germanium detectors were employed and surrounded by anticoincidence shields to reduce cosmic backgrounds. Measurements were made on known 22Na+p resonances, which we observed at laboratory energies Ep = 213, 288, 454, 610 keV and on proposed resonances at Ep = 198, 209, and 232 key. The proposed resonances were not observed, and the upper limit placed on the 198-keV resonance strength indicates that the resonance at Ep = 213 keV still dominates the reaction rate

  11. Cross-linked polymersomes as nanoreactors for controlled and stabilized single and cascade enzymatic reactions.

    PubMed

    Gräfe, David; Gaitzsch, Jens; Appelhans, Dietmar; Voit, Brigitte

    2014-09-21

    Polymeric vesicles or polymersomes are one of the supramolecular entities at the leading edge of synthetic biology. These small compartments have shown to be feasible candidates as nanoreactors, especially for enzymatic reactions. Once cross-linked and equipped with a pH sensitive material, the reaction can be switched off (pH 8) and on (pH 6) in accordance with the increased permeability of the polymersome membranes under acidic conditions. Thus cross-linked and pH sensitive polymersomes provide a basis for pH controlled enzymatic reactions where no integrated transmembrane protein is needed for regulating the uptake and release of educts and products in the polymersome lumen. This pH-tunable working tool was further used to investigate their use in sequential enzymatic reactions (glucose oxidase and myoglobin) where enzymes are loaded in one common polymersome or in two different polymersomes. Crossing membranes and overcoming the space distance between polymersomes were shown successfully, meaning that educts and products can be exchanged between enzyme compartments for successful enzymatic cascade reactions. Moreover the stabilizing effect of polymersomes is also observable by single enzymatic reactions as well as a sequence. This study is directed to establish robust and controllable polymersome nanoreactors for enzymatic reactions, describing a switch between an off (pH 8) and on (pH 6) state of polymersome membrane permeability with no transmembrane protein needed for transmembrane exchange.

  12. Cross-section studies of important neutron and relativistic deuteron reactions

    NASA Astrophysics Data System (ADS)

    Wagner, V.; Suchopár, M.; Vrzalová, J.; Chudoba, P.; Herman, T.; Svoboda, O.; Geier, B.; Krása, A.; Majerle, M.; Kugler, A.; Adam, J.; Baldin, A.; Furman, W.; Kadykov, M.; Khushvaktov, J.; Solnyshkin, A.; Tsoupko-Sitnikov, V.; Tyutyunikov, S.; Zavorka, L.; Vladimirova, N.; Bielewicz, M.; Kilim, S.; Szuta, M.; Strugalska-Gola, E.

    2014-09-01

    The cross-sections of relativistic deuteron reactions on natural copper were studied by the means of activation method. The deuteron beams produced by JINR Nuclotron (Russia) with energies from 1 GeV up to 8 GeV were used. Lack of such cross-sections prevents the usage of copper foils for beam integral monitoring. The copper monitors will help us to improve the beam integral determination during ADS studies. The yttrium samples are very suitable activation detectors for monitoring of neutron fields not only in the ADS studies. But experimental cross-section data for higher energy threshold neutron reactions are still missing. This situation is the reason why we have started to study neutron reactions on yttrium by the means of quasi mono-energetic neutron source based on NPI Řež cyclotron (Czech Republic).

  13. Absolute quantitative real-time polymerase chain reaction for the measurement of human papillomavirus E7 mRNA in cervical cytobrush specimens

    PubMed Central

    Scheurer, Michael E; Dillon, Laura M; Chen, Zhuo; Follen, Michele; Adler-Storthz, Karen

    2007-01-01

    Background Few reports of the utilization of an accurate, cost-effective means for measuring HPV oncogene transcripts have been published. Several papers have reported the use of relative quantitation or more expensive Taqman methods. Here, we report a method of absolute quantitative real-time PCR utilizing SYBR-green fluorescence for the measurement of HPV E7 expression in cervical cytobrush specimens. Results The construction of a standard curve based on the serial dilution of an E7-containing plasmid was the key for being able to accurately compare measurements between cervical samples. The assay was highly reproducible with an overall coefficient of variation of 10.4%. Conclusion The use of highly reproducible and accurate SYBR-based real-time polymerase chain reaction (PCR) assays instead of performing Taqman-type assays allows low-cost, high-throughput analysis of viral mRNA expression. The development of such assays will help in refining the current screening programs for HPV-related carcinomas. PMID:17407544

  14. High resolution absolute absorption cross sections of the B ̃(1)A'-X ̃(1)A' transition of the CH2OO biradical.

    PubMed

    Foreman, Elizabeth S; Kapnas, Kara M; Jou, YiTien; Kalinowski, Jarosław; Feng, David; Gerber, R Benny; Murray, Craig

    2015-12-28

    Carbonyl oxides, or Criegee intermediates, are formed from the gas phase ozonolysis of alkenes and play a pivotal role in night-time and urban area atmospheric chemistry. Significant discrepancies exist among measurements of the strong B ̃(1)A'-X ̃(1)A' electronic transition of the simplest Criegee intermediate, CH2OO in the visible/near-UV. We report room temperature spectra of the B ̃(1)A'-X ̃(1)A' electronic absorption band of CH2OO acquired at higher resolution using both single-pass broadband absorption and cavity ring-down spectroscopy. The new absorption spectra confirm the vibrational structure on the red edge of the band that is absent from ionization depletion measurements. The absolute absorption cross sections over the 362-470 nm range are in good agreement with those reported by Ting et al. Broadband absorption spectra recorded over the temperature range of 276-357 K were identical within their mutual uncertainties, confirming that the vibrational structure is not due to hot bands.

  15. Absolute Photometry

    NASA Astrophysics Data System (ADS)

    Hartig, George

    1990-12-01

    The absolute sensitivity of the FOS will be determined in SV by observing 2 stars at 3 epochs, first in 3 apertures (1.0", 0.5", and 0.3" circular) and then in 1 aperture (1.0" circular). In cycle 1, one star, BD+28D4211 will be observed in the 1.0" aperture to establish the stability of the sensitivity and flat field characteristics and improve the accuracy obtained in SV. This star will also be observed through the paired apertures since these are not calibrated in SV. The stars will be observed in most detector/grating combinations. The data will be averaged to form the inverse sensitivity functions required by RSDP.

  16. Aqueous microwaves assisted cross-coupling reactions applied to unprotected nucleosides.

    NASA Astrophysics Data System (ADS)

    Len, Christophe; Hervé, Gwénaelle

    2015-02-01

    Nucleoside analogues have attracted much attention due to their potential biological activities. Amongst all synthetic nucleosides, C5-modified pyrimidines and C7- or C8-modified purines have mostly been prepared using palladium cross-coupling reactions and then studied as antitumoral and antiviral agents. Our objective is to focus this review on the Suzuki-Miyaura and on the Heck cross-couplings of nucleosides using microwave irradiations which are an alternative technology compatible with green chemistry and sustainable development.

  17. Aqueous microwave-assisted cross-coupling reactions applied to unprotected nucleosides

    PubMed Central

    Hervé, Gwénaëlle; Len, Christophe

    2015-01-01

    Metal catalyzed cross-coupling reactions have been the preferred tools to access to modified nucleosides (on the C5-position of pyrimidines and on the C7- or C8-positions of purines). Our objective is to focus this mini-review on the Suzuki-Miyaura and on the Heck cross-couplings of nucleosides using microwave irradiations which is an alternative technology compatible with green chemistry and sustainable development PMID:25741506

  18. Accuracy of Reaction Cross Section for Exotic Nuclei in Glauber Model Based on MCMC Diagnostics

    NASA Astrophysics Data System (ADS)

    Rueter, Keiti; Novikov, Ivan

    2017-01-01

    Parameters of a nuclear density distribution for an exotic nuclei with halo or skin structures can be determined from the experimentally measured reaction cross-section. In the presented work, to extract parameters such as nuclear size information for a halo and core, we compare experimental data on reaction cross-sections with values obtained using expressions of the Glauber Model. These calculations are performed using a Markov Chain Monte Carlo algorithm. We discuss the accuracy of the Monte Carlo approach and its dependence on k*, the power law turnover point in the discreet power spectrum of the random number sequence and on the lag-1 autocorrelation time of the random number sequence.

  19. Deformation effect on total reaction cross sections for neutron-rich Ne isotopes

    SciTech Connect

    Minomo, Kosho; Sumi, Takenori; Ogata, Kazuyuki; Shimizu, Yoshifumi R.; Yahiro, Masanobu; Kimura, Masaaki

    2011-09-15

    The isotope dependence of measured reaction cross sections in the scattering of {sup 28-32}Ne isotopes from a {sup 12}C target at 240 MeV/nucleon is analyzed by the double-folding model with the Melbourne g matrix. The density of the projectile is calculated by the mean-field model with the deformed Woods-Saxon potential. The deformation is evaluated by antisymmetrized molecular dynamics. The deformation of the projectile enhances calculated reaction cross sections to the measured values.

  20. Cathodic Aromatic C,C Cross-Coupling Reaction via Single Electron Transfer Pathway.

    PubMed

    Qu, Yang; Tateno, Hiroyuki; Matsumura, Yoshimasa; Kashiwagi, Tsuneo; Atobe, Mahito

    2017-03-07

    We have successfully developed a novel cathodic cross-coupling reaction of aryl halides with arenes. Utilization of the cathodic single electron transfer (SET) mechanism for activation of aryl halides enables the cross-coupling reaction to proceed without the need for any transition metal catalysts or single electron donors in a mild condition. The SET from a cathode to an aryl halide initiates a radical chain by giving an anion radical of the aryl halide. The following propagation cycle also consists entirely of anion radical intermediates.

  1. Studies of combustion reactions at the state-resolved differential cross section level

    SciTech Connect

    Houston, P.L.; Suits, A.G.; Bontuyan, L.S.; Whitaker, B.J.

    1993-12-01

    State-resolved differential reaction cross sections provide perhaps the most detailed information about the mechanism of a chemical reaction, but heretofore they have been extremely difficult to measure. This program explores a new technique for obtaining differential cross sections with product state resolution. The three-dimensional velocity distribution of state-selected reaction products is determined by ionizing the appropriate product, waiting for a delay while it recoils along the trajectory imparted by the reaction, and finally projecting the spatial distribution of ions onto a two dimensional screen using a pulsed electric field. Knowledge of the arrival time allows the ion position to be converted to a velocity, and the density of velocity projections can be inverted mathematically to provide the three-dimensional velocity distribution for the selected product. The main apparatus has been constructed and tested using photodissociations. The authors report here the first test results using crossed beams to investigate collisions between Ar and NO. Future research will both develop further the new technique and employ it to investigate methyl radical, formyl radical, and hydrogen atom reactions which are important in combustion processes. The authors intend specifically to characterize the reactions of CH{sub 3} with H{sub 2} and H{sub 2}CO; of HCO with O{sub 2}; and of H with CH{sub 4}, CO{sub 2}, and O{sub 2}.

  2. Towards rotationally state-resolved differential cross sections for the hydrogen exchange reaction

    SciTech Connect

    Vrakking, M.J.J.

    1992-11-01

    The hydrogen exchange reaction H + H{sub 2} {yields} H{sub 2} + H (and its isotopic variants) plays a pivotal role in chemical reaction dynamics. It is the only chemical reaction for which fully converged quantum scattering calculations have been carried out using a potential energy surface which is considered to be chemically accurate. To improve our ability to test the theory, a `perfect experiment`, measuring differential cross sections with complete specification of the reactant and product states, is called for. In this thesis, the design of an experiment is described that aims at achieving this goal for the D + H{sub 2} reaction. A crossed molecular beam arrangement is used, in which a photolytic D atom beam is crossed by a pulsed beam of H{sub 2} molecules. DH molecules formed in the D + H{sub 2} reaction are state-specifically ionized using Doppler-free (2+1) Resonance-Enhanced Multi-Photon Ionization (REMPI) and detected using a Position-sensitive microchannel plate detector. This detection technique has an unprecedented single shot detection sensitivity of 6.8 10{sup 3} molecules/cc. This thesis does not contain experimental results for the D + H{sub 2} reaction yet, but progress that has been made towards achieving this goal is reported. In addition, results are reported for a study of the Rydberg spectroscopy of the water molecule.

  3. Towards rotationally state-resolved differential cross sections for the hydrogen exchange reaction

    SciTech Connect

    Vrakking, M.J.J.

    1992-11-01

    The hydrogen exchange reaction H + H[sub 2] [yields] H[sub 2] + H (and its isotopic variants) plays a pivotal role in chemical reaction dynamics. It is the only chemical reaction for which fully converged quantum scattering calculations have been carried out using a potential energy surface which is considered to be chemically accurate. To improve our ability to test the theory, a 'perfect experiment', measuring differential cross sections with complete specification of the reactant and product states, is called for. In this thesis, the design of an experiment is described that aims at achieving this goal for the D + H[sub 2] reaction. A crossed molecular beam arrangement is used, in which a photolytic D atom beam is crossed by a pulsed beam of H[sub 2] molecules. DH molecules formed in the D + H[sub 2] reaction are state-specifically ionized using Doppler-free (2+1) Resonance-Enhanced Multi-Photon Ionization (REMPI) and detected using a Position-sensitive microchannel plate detector. This detection technique has an unprecedented single shot detection sensitivity of 6.8 10[sup 3] molecules/cc. This thesis does not contain experimental results for the D + H[sub 2] reaction yet, but progress that has been made towards achieving this goal is reported. In addition, results are reported for a study of the Rydberg spectroscopy of the water molecule.

  4. Total reaction cross sections in CEM and MCNP6 at intermediate energies

    NASA Astrophysics Data System (ADS)

    Kerby, Leslie M.; Mashnik, Stepan G.

    2015-08-01

    Accurate total reaction cross section models are important to achieving reliable predictions from spallation and transport codes. The latest version of the Cascade Exciton Model (CEM) as incorporated in the code CEM03.03, and the Monte Carlo N-Particle transport code (MCNP6), both developed at Los Alamos National Laboratory (LANL), each use such cross sections. Having accurate total reaction cross section models in the intermediate energy region (∼ 50 MeV to ∼ 5 GeV) is very important for different applications, including analysis of space environments, use in medical physics, and accelerator design, to name just a few. The current inverse cross sections used in the preequilibrium and evaporation stages of CEM are based on the Dostrovsky et al. model, published in 1959. Better cross section models are available now. Implementing better cross section models in CEM and MCNP6 should yield improved predictions for particle spectra and total production cross sections, among other results. Our current results indicate this is, in fact, the case.

  5. Total reaction cross sections in CEM and MCNP6 at intermediate energies

    DOE PAGES

    Kerby, Leslie M.; Mashnik, Stepan G.

    2015-05-14

    Accurate total reaction cross section models are important to achieving reliable predictions from spallation and transport codes. The latest version of the Cascade Exciton Model (CEM) as incorporated in the code CEM03.03, and the Monte Carlo N-Particle transport code (MCNP6), both developed at Los Alamos National Laboratory (LANL), each use such cross sections. Having accurate total reaction cross section models in the intermediate energy region (50 MeV to 5 GeV) is very important for different applications, including analysis of space environments, use in medical physics, and accelerator design, to name just a few. The current inverse cross sections used inmore » the preequilibrium and evaporation stages of CEM are based on the Dostrovsky et al. model, published in 1959. Better cross section models are now available. Implementing better cross section models in CEM and MCNP6 should yield improved predictions for particle spectra and total production cross sections, among other results.« less

  6. Gas-phase reactions in extraterrestrial environments: laboratory investigations by crossed molecular beams.

    PubMed

    Balucani, Nadia; Casavecchia, Piergiorgio

    2006-12-01

    We have investigated gas-phase reactions of N((2)D) with the most abundant hydrocarbons in the atmosphere of Titan by the crossed molecular beam technique. In all cases, molecular products containing a novel CN bond are formed, thus suggesting possible routes of formation of gas-phase nitriles in the atmosphere of Titan and primordial Earth. The same approach has been recently extended to the study of radical-radical reactions, such as the reaction of atomic oxygen with the CH(3) and C(3)H(5) radicals. Products other than those already considered in the modeling of planetary atmospheres and interstellar medium have been identified.

  7. Cross Section Measurements for the 23Na(p,γ)24Mg Reaction at LUNA

    NASA Astrophysics Data System (ADS)

    Boeltzig, Axel; LUNA Collaboration

    2016-02-01

    LUNA, the Laboratory for Underground Nuclear Astrophysics, is an accelerator facility for measurements of nuclear cross sections of astrophysical interest. The greatly reduced cosmic ray background at LUNA's underground location in the Gran Sasso National Laboratory (LNGS) allows direct measurements of weak reactions at low energies. One of the reactions currently under study at LUNA is 23Na(p,γ)24Mg, which links the NeNa and MgAl cycles in stellar burning. The LUNA facility is presented, with a focus on the current experimental efforts to study the reaction 23Na(p,γ)24Mg.

  8. Determining neutron capture cross sections with the Surrogate Reaction Technique: Measuring decay probabilities with STARS

    NASA Astrophysics Data System (ADS)

    Church, J. A.; Ahle, L.; Bernstein, L. A.; Cooper, J.; Dietrich, F. S.; Escher, J.; Forssen, C.; Ai, H.; Amro, H.; Babilon, M.; et al.

    2005-07-01

    Neutron-induced reaction cross sections are sometimes difficult to measure due to target or beam limitations. For two-step reactions proceeding through an equilibrated intermediate state, an alternate "surrogate reaction" technique [J.D. Cramer and H.C. Britt, Nucl. Sci. Eng. 41, 177 (1970), H.C. Britt and J.B. Wilhelmy, Nucl. Sci. Eng. 72, 222 (1979), W.Younes and H.C. Britt, Phys. Rev. C 67, 024610 (2003)] can be applicable, and is currently undergoing investigation at LLNL. Measured decay probabilities for the intermediate nucleus formed in a light-ion reaction can be combined with optical-model calculations for the formation of the same intermediate nucleus via the neutron-induced reaction. The result is an estimation for overall (n,γ/n/2n) cross sections. As a bench-mark, the reaction 92Zr(α, α'), surrogate for n+91Zr, was studied at the A.W. Wright Nuclear Structure Laboratory at Yale. Particles were detected in the silicon telescope STARS (Silicon Telescope Array for Reaction Studies) and γ-ray energies measured with germanium clover detectors from the YRAST (Yale Rochester Array for SpecTroscopy) ball. The experiment and preliminary observations will be discussed.

  9. Determining neutron capture cross sections with the Surrogate Reaction Technique: Measuring decay probabilities with STARS

    SciTech Connect

    Church, J A; Ahle, L; Bernstein, L A; Cooper, J; Dietrich, F S; Escher, J; Forssen, C; Ai, H; Amro, H; Babilon, M; Beausang, C; Caggiano, J; Heinz, A; Hughes, R; McCutchan, E; Meyer, D; Plettner, C; Ressler, J; Zamfir, V

    2004-07-14

    Neutron-induced reaction cross sections are sometimes difficult to measure due to target or beam limitations. For two-step reactions proceeding through an equilibrated intermediate state, an alternate ''surrogate reaction'' technique can be applicable, and is currently undergoing investigation at LLNL. Measured decay probabilities for the intermediate nucleus formed in a light-ion reaction can be combined with optical-model calculations for the formation of the same intermediate nucleus via the neutron-induced reaction. The result is an estimation for overall (n,{gamma}/n/2n) cross sections. As a benchmark, the reaction {sup 92}Zr({alpha},{alpha}'), surrogate, for n+{sup 91}Zr, was studied at the A.W. Wright Nuclear Structure Laboratory at Yale. Particles were detected in the silicon telescope STARS (Silicon Telescope Array for Reaction Studies) and {gamma}-ray energies measured with germanium clover detectors from the YRAST (Yale Rochester Array for SpecTroscopy) ball. The experiment and preliminary observations will be discussed.

  10. MICROWAVE-ACCELERATED SUZUKI CROSS-COUPLING REACTION IN POLYETHYLENE GLYCOL (PEG)

    EPA Science Inventory

    Polyethylene glycol (PEG) is found to be an inexpensive and nontoxic reaction medium for the microwave-assisted Suzuki cross-coupling of arylboronic acids with aryl halides. This environmentally friendly microwave protocol offers the ease of operation and enables the recyclabilit...

  11. Determining Cross Sections for Reactions on Unstable Nuclei: A Consideration of Indirect Approaches

    SciTech Connect

    Escher, J.; Dietrich, F.S.

    2005-10-14

    An indirect method for determining cross sections for reactions proceeding through a compound nucleus is presented. The appropriate theoretical framework for applications of this method is reviewed and theoretical and experimental challenges that need to be addressed in applications of the method are outlined. Two approximations are considered and their advantages and limitations are discussed.

  12. Determining Cross Sections for Reactions on Unstable Nuclei: A Consideration of Indirect Approaches

    SciTech Connect

    Escher, J; Dietrich, F S

    2005-05-24

    An indirect method for determining cross sections for reactions proceeding through a compound nucleus is presented. The appropriate theoretical framework for applications of this method is reviewed and theoretical and experimental challenges that need to be addressed in applications of the method are outlined. Two approximations are considered and their advantages and limitations are discussed.

  13. Differential cross sections measurement of 28Si(p,p/γ)28Si and 29Si(p,p/γ)29Si reactions for PIGE applications

    NASA Astrophysics Data System (ADS)

    Jokar, A.; Kakuee, O.; Lamehi-Rachti, M.

    2016-03-01

    Differential cross sections for gamma-ray emission from the 28Si(p,p/γ)28Si (Eγ = 1779 keV) and the 29Si(p,p/γ)29Si (Eγ = 1273 keV) nuclear reactions were measured in the energy range of 2.0-3.2 MeV and 2.0-3.0 MeV, respectively. The thin Si targets were prepared by evaporating natural SiO onto self-supporting Ag films. The gamma-rays and backscattered protons were detected simultaneously. An HPGe detector placed at an angle of 90° with respect to beam direction was employed to collect gamma-rays while an ion implanted Si detector placed at a scattering angle of 165° was used to detect backscattered protons. The great advantage of this work is that differential cross sections were obtained with a procedure irrespective of absolute value of the collected beam charge.

  14. Cross-section measurements of neutron threshold reactions in various materials

    NASA Astrophysics Data System (ADS)

    Vrzalová, J.; Svoboda, O.; Kugler, A.; Suchopár, M.; Wagner, V.

    As members of international collaboration "Energy and Transmutation of radioactive Waste" we routinely use (n,xn) threshold reactions in various materials to measure high energy neutron flux from spallation reactions. The cross-sections of many reactions important for our activation detectors are missing. To improve situation, we studied the neutron cross-sections using different quasi-monoenergetic neutron sources based on proton reaction on 7Li target. The measurements were performed in Nuclear Physics Institute of the Academy of Sciences of the Czech Republic in Řež near Prague and in The Svedberg Laboratory in Uppsala (Sweden). We used neutron energies 17, 22, 30 and 35 MeV from the quasi-monoenergetic neutron source in Řež and neutron energies 22, 47 and 94 MeV in Uppsala. The last experiment was carried out in February 2010 in Uppsala using neutron energies 59, 66, 72 and 89 MeV. The study of neutron threshold reactions in yttrium was performed first time during this irradiation. We have developed procedure for the subtraction of contribution of the background neutrons. We studied various materials in the form of thin foils and observed good agreement with the data in EXFOR database and also with the calculations performed in deterministic code TALYS. Many cross-sections were measured in the energy regions where no experimental data are available so far.

  15. Stereospecific Nickel-Catalyzed Cross-Coupling Reactions of Benzylic Ethers with Isotopically-Labeled Grignard Reagents

    PubMed Central

    2015-01-01

    In this manuscript we highlight the potential of stereospecific nickel-catalyzed cross-coupling reactions for applications in the pharmaceutical industry. Using an inexpensive and sustainable nickel catalyst, we report a gram-scale Kumada cross-coupling reaction. Reactions are highly stereospecific and proceed with inversion at the benzylic position. We also expand the scope of our reaction to incorporate isotopically labeled substituents. PMID:27458328

  16. Cross sections, momentum distributions, and neutron angular distributions for 11Be induced reactions on silicon

    NASA Astrophysics Data System (ADS)

    Negoita, F.; Borcea, C.; Carstoiu, F.; Lewitowicz, M.; Saint-Laurent, M. G.; Anne, R.; Guillemaud-Mueller, D.; Mueller, A. C.; Pougheon, F.; Sorlin, O.; Fomitchev, A.; Lukyanov, S.; Penionzhkevich, Yu.; Skobelev, N.; Dlouhy, Z.

    1999-04-01

    The halo neutron breakup cross section for 11Be on Si has been obtained in a wide energy range by applying an integral method and separately determining the contributions of stripping and dissociation mechanisms. A new breakup mechanism, for which the core energy is strongly dumped, has also been observed. Parallel momentum distributions of 10Be resulting from breakup have been deduced for both stripping and dissociation and angular and energy distributions of the neutrons coincident with different reaction products have been measured. Charge changing cross sections for 10,11Be complemented the measurements. An extended Glauber model has been elaborated in order to provide a unitary interpretation for all the data. It takes into account both the specific structure of 11Be and the reaction mechanism, practically without free parameters. The effects of reaction mechanisms on the widths of observed momentum distributions are particularly important.

  17. Cross-section studies of relativistic deuteron reactions on copper by activation method

    NASA Astrophysics Data System (ADS)

    Suchopár, M.; Wagner, V.; Svoboda, O.; Vrzalová, J.; Chudoba, P.; Kugler, A.; Adam, J.; Závorka, L.; Baldin, A.; Furman, W.; Kadykov, M.; Khushvaktov, J.; Solnyshkin, A.; Tsoupko-Sitnikov, V.; Tyutyunnikov, S.

    2015-02-01

    The cross-sections of relativistic deuteron reactions on natural copper were studied in detail by means of activation method. The copper foils were irradiated during experiments with the model spallation targets in the Joint Institute for Nuclear Research. The irradiation of activation samples was performed by beams in the energy range from 1 to 8 GeV. Residual nuclides were measured by the gamma spectrometry. While the EXFOR database contains sets of data for relativistic proton reactions, data for deuteron reactions in this energy range are almost missing. Lack of such experimental cross-section values prevents the use of copper foils from beam integral monitoring. For this reason our experiments focused on their measurement and completely new data were obtained in the energy region where no experimental data have been available so far. The copper monitors with their low sensitivity to fast neutrons will contribute to improvement of the beam integral determination during accelerator-driven system studies.

  18. Atmospheric Chemistry of 1-Methoxy 2-Propyl Acetate: UV Absorption Cross Sections, Rate Coefficients, and Products of Its Reactions with OH Radicals and Cl Atoms.

    PubMed

    Zogka, Antonia G; Mellouki, Abdelwahid; Romanias, Manolis N; Bedjanian, Yuri; Idir, Mahmoud; Grosselin, Benoit; Daële, Véronique

    2016-11-17

    The rate coefficients for the reactions of OH and Cl with 1-methoxy 2-propyl acetate (MPA) in the gas phase were measured using absolute and relative methods. The kinetic study on the OH reaction was conducted in the temperature (263-373) K and pressure (1-760) Torr ranges using the pulsed laser photolysis-laser-induced fluorescence technique, a low pressure fast flow tube reactor-quadrupole mass spectrometer, and an atmospheric simulation chamber/GC-FID. The derived Arrhenius expression is kMPA+OH(T) = (2.01 ± 0.02) × 10(-12) exp[(588 ± 123/T)] cm(3) molecule(-1) s(-1). The absolute and relative rate coefficients for the reaction of Cl with MPA were measured at room temperature in the flow reactor and the atmospheric simulation chamber, which led to k(Cl+MPA) = (1.98 ± 0.31) × 10(-10) cm(3) molecule(-1) s(-1). GC-FID, GC-MS, and FT-IR techniques were used to investigate the reaction mechanism in the presence of NO. The products formed from the reaction of MPA with OH and their yields were methyl formate (80 ± 7.3%), acetic acid (50 ± 4.8%), and acetic anhydride (22 ± 2.4%), while for Cl reaction, the obtained yields were 60 ± 5.4, 41 ± 3.8, and 11 ± 1.2%, respectively, for the same products. The UV absorption cross section spectrum of MPA was determined in the wavelength range 210-370 nm. The study has shown no photolysis of MPA under atmospheric conditions. The obtained results are used to derive the atmospheric implication.

  19. Cross-linked polymersomes as nanoreactors for controlled and stabilized single and cascade enzymatic reactions

    NASA Astrophysics Data System (ADS)

    Gräfe, David; Gaitzsch, Jens; Appelhans, Dietmar; Voit, Brigitte

    2014-08-01

    Polymeric vesicles or polymersomes are one of the supramolecular entities at the leading edge of synthetic biology. These small compartments have shown to be feasible candidates as nanoreactors, especially for enzymatic reactions. Once cross-linked and equipped with a pH sensitive material, the reaction can be switched off (pH 8) and on (pH 6) in accordance with the increased permeability of the polymersome membranes under acidic conditions. Thus cross-linked and pH sensitive polymersomes provide a basis for pH controlled enzymatic reactions where no integrated transmembrane protein is needed for regulating the uptake and release of educts and products in the polymersome lumen. This pH-tunable working tool was further used to investigate their use in sequential enzymatic reactions (glucose oxidase and myoglobin) where enzymes are loaded in one common polymersome or in two different polymersomes. Crossing membranes and overcoming the space distance between polymersomes were shown successfully, meaning that educts and products can be exchanged between enzyme compartments for successful enzymatic cascade reactions. Moreover the stabilizing effect of polymersomes is also observable by single enzymatic reactions as well as a sequence. This study is directed to establish robust and controllable polymersome nanoreactors for enzymatic reactions, describing a switch between an off (pH 8) and on (pH 6) state of polymersome membrane permeability with no transmembrane protein needed for transmembrane exchange.Polymeric vesicles or polymersomes are one of the supramolecular entities at the leading edge of synthetic biology. These small compartments have shown to be feasible candidates as nanoreactors, especially for enzymatic reactions. Once cross-linked and equipped with a pH sensitive material, the reaction can be switched off (pH 8) and on (pH 6) in accordance with the increased permeability of the polymersome membranes under acidic conditions. Thus cross-linked and p

  20. Oscillatory pulses and wave trains in a bistable reaction-diffusion system with cross diffusion

    NASA Astrophysics Data System (ADS)

    Zemskov, Evgeny P.; Tsyganov, Mikhail A.; Horsthemke, Werner

    2017-01-01

    We study waves with exponentially decaying oscillatory tails in a reaction-diffusion system with linear cross diffusion. To be specific, we consider a piecewise linear approximation of the FitzHugh-Nagumo model, also known as the Bonhoeffer-van der Pol model. We focus on two types of traveling waves, namely solitary pulses that correspond to a homoclinic solution, and sequences of pulses or wave trains, i.e., a periodic solution. The effect of cross diffusion on wave profiles and speed of propagation is analyzed. We find the intriguing result that both pulses and wave trains occur in the bistable cross-diffusive FitzHugh-Nagumo system, whereas only fronts exist in the standard bistable system without cross diffusion.

  1. Oscillatory pulses and wave trains in a bistable reaction-diffusion system with cross diffusion.

    PubMed

    Zemskov, Evgeny P; Tsyganov, Mikhail A; Horsthemke, Werner

    2017-01-01

    We study waves with exponentially decaying oscillatory tails in a reaction-diffusion system with linear cross diffusion. To be specific, we consider a piecewise linear approximation of the FitzHugh-Nagumo model, also known as the Bonhoeffer-van der Pol model. We focus on two types of traveling waves, namely solitary pulses that correspond to a homoclinic solution, and sequences of pulses or wave trains, i.e., a periodic solution. The effect of cross diffusion on wave profiles and speed of propagation is analyzed. We find the intriguing result that both pulses and wave trains occur in the bistable cross-diffusive FitzHugh-Nagumo system, whereas only fronts exist in the standard bistable system without cross diffusion.

  2. Palladium-Catalyzed Cross-Coupling Reactions of Organosilanols and their Salts

    PubMed Central

    Denmark, Scott E.; Regens, Christopher S.

    2009-01-01

    Conspectus In the panoply of modern synthetic methods for forming carbon-carbon and carbon-heteroatom bonds, the transition metal-catalyzed cross coupling of organometallic nucleophiles with organic electrophiles enjoys a preeminent status. The preparative utility of these reactions is, in large measure, a consequence of the wide variety of organometallic donors that have been conscripted into service. The most common of these reagents are organic derivatives of tin, boron, and zinc, which each possess unique advantages and shortcomings. Because of their low cost, low toxicity, and high chemical stability, organosilanes have emerged as viable alternatives to the conventional reagents in recent years. However, unlike the tin- and zinc-based reactions that require no activation or the boron-based reactions that require only heating with mild bases, silicon-based cross-coupling reactions often require heating in the presence of a fluoride source; this has significantly hampered the widespread acceptance of organosilanes. To address the “fluoride problem”, we have introduced a new paradigm for palladium-catalyzed, silicon-based cross-coupling reactions that employs organosilanols, a previously underutilized class of silicon reagents. The use of organosilanols either in the presence of Brønsted bases or as their silanolate salts represents a simple and mild alternative to the classic fluoride-based activation method. Organosilanols are easily available by many well-established methods for introducing carbon-silicon bonds onto alkenes, alkynes and arenes, and heteroarenes. Moreover, we have developed four different protocols for the generation of alkali metal salts of, vinyl-, alkenyl-, alkynyl-, aryl-, and heteroarylsilanolates: (1) reversible deprotonation with weak Brønsted bases, (2) irreversible deprotonation with strong Brønsted bases, (3) isolation of the salts from irreversible deprotonation, and (4) silanolate exchange with disiloxanes. We have

  3. Experience in using the covariances of some ENDF/B-V dosimetry cross sections: proposed improvements and addition of cross-reaction covariances

    SciTech Connect

    Fu, C.Y.; Hetrick, D.M.

    1982-01-01

    Recent ratio data, with carefully evaluated covariances, were combined with eleven of the ENDF/B-V dosimetry cross sections using the generalized least-squares method. The purpose was to improve these evaluated cross sections and covariances, as well as to generate values for the cross-reaction covariances. The results represent improved cross sections as well as realistic and usable covariances. The latter are necessary for meaningful intergral-differential comparisons and for spectrum unfolding.

  4. Calculation of nuclear reaction cross sections on excited nuclei with the coupled-channels method

    SciTech Connect

    Kawano, T.; Talou, P.; Lynn, J. E.; Chadwick, M. B.; Madland, D. G.

    2009-08-15

    We calculate nuclear cross sections on excited nuclei in the fast neutron energy range. We partition the whole process into two contributions: the direct reaction part and the compound nuclear reactions. A coupled-channels method is used for calculating the direct transition of the nucleus from the initial excited state, which is a member of the ground-state rotational band, to the final ground and excited low-lying levels. This process is strongly affected by the channel coupling. The compound nuclear reactions on the excited state are calculated with the statistical Hauser-Feshbach model, with the transmission coefficients obtained from the coupled-channels calculation. The calculations are performed for a strongly deformed nucleus {sup 169}Tm, and selected cross sections for the ground and first excited states are compared. The calculation is also made for actinides to investigate possible modification to the fission cross section when the target is excited. It is shown that both the level coupling for the entrance channel, and the different target spin, change the fission cross section.

  5. Evaluation of the 93Nb(n,γ) Reaction Cross-Section

    NASA Astrophysics Data System (ADS)

    Zolotarev, Konstantin; Badikov, Sergei

    2016-02-01

    New evaluation of the 93Nb(n,γ)94Nb reaction cross-section important for retrospective reactor dosimetry was carried out. At neutron energies below 7.5 keV the evaluation is based on the experimental data. The results of measurements extracted from the EXFOR library were corrected (when necessary) to new recommended values of monitor reaction cross-sections and decay data. The resonance analysis of the 93Nb(n,γ) and the 93Nb(n,tot) reaction cross-sections was carried out within the Reich-Moore formalism. 48 new resonances were identified as compared to the Mughabghab systematics. In the energy range from 7.5 keV to 20 MeV the evaluation is based on the experimental data and theoretical model calculations. The recommended cross-sections and their covariances in this energy range were evaluated by an approximation of the experimental and calculated values with the PADE2 code. The new evaluation provides, essentially, better agreement with the experimental data and the recommended value of the resonance integral compared to other evaluations.

  6. Enzyme sequence similarity improves the reaction alignment method for cross-species pathway comparison

    SciTech Connect

    Ovacik, Meric A.; Androulakis, Ioannis P.

    2013-09-15

    Pathway-based information has become an important source of information for both establishing evolutionary relationships and understanding the mode of action of a chemical or pharmaceutical among species. Cross-species comparison of pathways can address two broad questions: comparison in order to inform evolutionary relationships and to extrapolate species differences used in a number of different applications including drug and toxicity testing. Cross-species comparison of metabolic pathways is complex as there are multiple features of a pathway that can be modeled and compared. Among the various methods that have been proposed, reaction alignment has emerged as the most successful at predicting phylogenetic relationships based on NCBI taxonomy. We propose an improvement of the reaction alignment method by accounting for sequence similarity in addition to reaction alignment method. Using nine species, including human and some model organisms and test species, we evaluate the standard and improved comparison methods by analyzing glycolysis and citrate cycle pathways conservation. In addition, we demonstrate how organism comparison can be conducted by accounting for the cumulative information retrieved from nine pathways in central metabolism as well as a more complete study involving 36 pathways common in all nine species. Our results indicate that reaction alignment with enzyme sequence similarity results in a more accurate representation of pathway specific cross-species similarities and differences based on NCBI taxonomy.

  7. Differentiating of cross-reactions in patients with latex allergy with the use of ISAC test

    PubMed Central

    Chełmińska, Marta; Różyło, Anna; Kołakowska, Agata; Jassem, Ewa

    2016-01-01

    Introduction Differentiating between cross-reactivity and double sensitization is still a challenging issue in allergology. Aim To differentiate cross-reactions accompanying latex allergy with the use of the ISAC test. Material and methods Thirty-nine patients reporting immediate allergic reactions to latex were enrolled into the study (group A). The control group was comprised of 41 patients with allergic diseases not associated with latex (group B) and 20 healthy individuals (group C). Their history was recorded and skin prick tests were performed with latex, airborne and food allergens. Specific IgE against food allergens, latex (k82) and recombined latex allergens were determined. ImmunoCAP ISAC test was performed with 103 molecules. Results Sensitization to latex was found by means of skin tests in 16 cases and sIgE against latex was revealed in 12 cases (including 10 positive in both SPT and sIgE). In the ISAC test antibodies against recombined latex allergens were found in 8 patients with rHev b 6 as the most common. All the patients positive for rHev b 1, 5, 6, 8 had allergy or asymptomatic sensitization to food allergens cross-reacting with latex. Some reactions could not have been differentiated due to the lack of allergens in the ISAC test. Others, not related to latex-fruits syndrome were explained by cross-reactivity with other profilins or PR-10 proteins. Conclusions ImmunoCAP ISAC test could be useful in differentiating between cross-reactions and double sensitizations. However, in the case of latex its advantages are limited due to a small panel of allergens. PMID:27279821

  8. Crossed-beam DC slice imaging of fluorine atom reactions with linear alkanes

    SciTech Connect

    Shi, Yuanyuan; Kamasah, Alexander; Joalland, Baptiste; Suits, Arthur G.

    2015-05-14

    We report the reaction dynamics of F atom with selected alkanes studied by crossed beam scattering with DC slice ion imaging. The target alkanes are propane, n-butane, and n-pentane. The product alkyl radicals are probed by 157 nm single photon ionization following reaction at a collision energy of ∼10 kcal mol{sup −1}. The analyzed data are compared with the corresponding theoretical studies. Reduced translational energy distributions for each system show similar trends with little of the reaction exoergicity appearing in translation. However, the pentane reaction shows a somewhat smaller fraction of available energy in translation than the other two, suggesting greater energy channeled into pentyl internal degrees of freedom. The center-of-mass angular distributions all show backscattering as well as sharp forward scattering that decreases in relative intensity with the size of the molecule. Possible reasons for these trends are discussed.

  9. Dynamics of CN+alkane reactions by crossed-beam dc slice imaging

    SciTech Connect

    Huang Cunshun; Li Wen; Estillore, Armando D.; Suits, Arthur G.

    2008-08-21

    The hydrogen atom abstraction reactions of CN (X {sup 2}{sigma}{sup +}) with alkanes have been studied using the crossed molecular beam technique with dc slice ion imaging at collision energies of 7.5 and 10.8 kcal/mol. The product alkyl radical images were obtained via single photon ionization at 157 nm for the reactions of CN (X {sup 2}{sigma}{sup +}) with n-butane, n-pentane, n-hexane, and cyclohexane. From analysis of the images, we obtained the center-of-mass frame product angular distributions and translational energy distributions directly. The results indicate that the products are largely backscattered and that most of the available energy ({approx}80%-85%) goes to the internal energy of the products. The reaction dynamics is discussed in light of recent kinetics data, theoretical calculations, and results for related halogen and oxygen atom reactions.

  10. Cross Sections Calculations of ( d, t) Nuclear Reactions up to 50 MeV

    NASA Astrophysics Data System (ADS)

    Tel, E.; Yiğit, M.; Tanır, G.

    2013-04-01

    In nuclear fusion reactions two light atomic nuclei fuse together to form a heavier nucleus. Fusion power is the power generated by nuclear fusion processes. In contrast with fission power, the fusion reaction processes does not produce radioactive nuclides. The fusion will not produce CO2 or SO2. So the fusion energy will not contribute to environmental problems such as particulate pollution and excessive CO2 in the atmosphere. Fusion powered electricity generation was initially believed to be readily achievable, as fission power had been. However, the extreme requirements for continuous reactions and plasma containment led to projections being extended by several decades. In 2010, more than 60 years after the first attempts, commercial power production is still believed to be unlikely before 2050. Although there have been significant research and development studies on the inertial and magnetic fusion reactor technology, there is still a long way to go to penetrate commercial fusion reactors to the energy market. In the fusion reactor, tritium self-sufficiency must be maintained for a commercial power plant. Therefore, for self-sustaining (D-T) fusion driver tritium breeding ratio should be greater than 1.05. Working out the systematics of ( d, t) nuclear reaction cross sections is of great importance for the definition of the excitation function character for the given reaction taking place on various nuclei at different energies. Since the experimental data of charged particle induced reactions are scarce, self-consistent calculation and analyses using nuclear theoretical models are very important. In this study, ( d, t) cross sections for target nuclei 19F, 50Cr, 54Fe, 58Ni, 75As, 89Y, 90Zr, 107Ag, 127I, 197Au and 238U have been investigated up to 50 MeV deuteron energy. The excitation functions for ( d, t) reactions have been calculated by pre-equilibrium reaction mechanism. Calculation results have been also compared with the available measurements in

  11. Measurement of inelastic cross sections in relativistic deuteron-on-lead reactions

    SciTech Connect

    Zamani, M.; Stoulos, S.; Fragopoulou, M.; Krivopustov, M.

    2010-10-15

    The inelastic cross section of deuterons hitting a lead target has been determined by the beam attenuation technique. A spallation neutron source based on a lead target was irradiated with 1.6- and 2.5-GeV deuterons. Solid-state nuclear track detectors as well as the activation method were used to obtain the neutron and proton distribution along the surface of the source. The attenuation coefficient was estimated by fitting the experimental data and taking into account the buildup effect and the beam attenuation. Using the attenuation coefficient, the interaction length and then the inelastic cross section of deuterons on lead reaction were determined.

  12. Total reaction cross sections of 50 and 65 MeV pions on nuclei

    NASA Astrophysics Data System (ADS)

    Meirav, O.; Friedman, E.; Altman, A.; Hanna, M.; Johnson, R. R.; Gill, D. R.

    1987-09-01

    Total reaction cross sections have been measured for 50 and 65 MeV π+/- on C, O, 18O, S, Ca, and Zr. The motivation for this experiment is to obtain cross sections to act as constraints in optical model fits to elastic scattering data. Measurements using the ``poor geometry'' transmission method were made for exceptionally small angles with the aim of improving the accuracy of the extrapolation to zero solid angle. At these small solid angles the muon cone from pion decay contributes significantly and its effects were explicitly included. The accuracies of the elastic correction are evaluated by using error matrix techniques and an additional systematic error is included.

  13. Experimental Study of the Cross Sections of α-Particle Induced Reactions on 209Bi

    NASA Astrophysics Data System (ADS)

    Hermanne, A.; Tárkányi, F.; Takács, S.; Szúcs, Z.

    2005-05-01

    Alpha particle induced reactions for generation of 211At used in therapeutic nuclear medicine and possible contaminants were investigated with the stacked foil activation technique on natural bismuth targets up to Eα=39 MeV. Excitation functions for the reactions 209Bi(α,2n)211At, 209Bi(α,3n)210At, 209Bi(α,x) 210Po obtained from direct alpha emission measurements and gamma spectra from decay products are compared with earlier literature values. Thick target yields have been deduced from the experimental cross sections.

  14. Experimental Study of the Cross Sections of {alpha}-Particle Induced Reactions on 209Bi

    SciTech Connect

    Hermanne, A.; Tarkanyi, F.; Takacs, S.; Szucs, Z.

    2005-05-24

    Alpha particle induced reactions for generation of 211At used in therapeutic nuclear medicine and possible contaminants were investigated with the stacked foil activation technique on natural bismuth targets up to E{alpha}=39 MeV. Excitation functions for the reactions 209Bi({alpha},2n)211At, 209Bi({alpha},3n)210At, 209Bi({alpha},x) 210Po obtained from direct alpha emission measurements and gamma spectra from decay products are compared with earlier literature values. Thick target yields have been deduced from the experimental cross sections.

  15. Cross Section of Isomeric States Produced in Photo-Neutron Reactions

    NASA Astrophysics Data System (ADS)

    Oprea, C.; Oprea, A.; Mihul, A.

    In this work the cross sections of the isomeric states production in (γ,n) reactions and the corresponding isomeric ratios for some isotopes of Cd, Sn, Mo, Sm in the great dipole resonance region with Talys codes using a standard input including Hauser-Feshbach model were evaluated. For the isomeric ratio calculation two methods were proposed, by using the description of incident gamma flux and experimental isomeric ratio. The obtained results are compared with experimental data from nuclear reactions induced by photons obtained by bremsstrahlung.

  16. Thermal neutron radiative capture cross-section of 186W(n, γ)187W reaction

    NASA Astrophysics Data System (ADS)

    Tan, V. H.; Son, P. N.

    2016-06-01

    The thermal neutron radiative capture cross section for 186W(n, γ)187W reaction was measured by the activation method using the filtered neutron beam at the Dalat research reactor. An optimal composition of Si and Bi, in single crystal form, has been used as neutron filters to create the high-purity filtered neutron beam with Cadmium ratio of Rcd = 420 and peak energy En = 0.025 eV. The induced activities in the irradiated samples were measured by a high resolution HPGe digital gamma-ray spectrometer. The present result of cross section has been determined relatively to the reference value of the standard reaction 197Au(n, γ)198Au. The necessary correction factors for gamma-ray true coincidence summing, and thermal neutron self-shielding effects were taken into account in this experiment by Monte Carlo simulations.

  17. Cross-Coupling Reactions of Aromatic and Heteroaromatic Silanolates with Aromatic and Heteroaromatic Halides

    PubMed Central

    Denmark, Scott E.; Smith, Russell C.; Chang, Wen-Tau T.; Muhuhi, Joseck M.

    2009-01-01

    The alkali-metal salts (potassium and sodium) of a large number of aryl- and heteroarylsilanols undergo efficient cross coupling with a wide range of aromatic bromides and chlorides under mild conditions to form polysubstituted biaryls. The critical feature for the success of these coupling reactions and their considerable scope is the use of bis(tri-tert-butylphosphine)palladium. Under the optimized conditions, electron-rich, electron-poor, and sterically hindered arylsilanolates afford cross-coupling products in good yields. Many functional groups are compatible with the coupling conditions such as esters, ketones, acetals, ethers, silyl ethers, and dimethylamino groups. Two particularly challenging substrates, (2-benzofuranyl)dimethylsilanolate and (2,6-dichlorophenyl)dimethylsilanolate prepared as their sodium salts showed excellent activity in the coupling reactions, in the former case also with aromatic chlorides. General methods for the efficient synthesis of a wide range of aromatic silanols are also described. PMID:19199785

  18. Direct site-selective arylation of enamides via a decarboxylative cross-coupling reaction.

    PubMed

    Gigant, Nicolas; Chausset-Boissarie, Laëtitia; Gillaizeau, Isabelle

    2013-02-15

    An efficient Pd-catalyzed decarboxylative cross-coupling reaction of simple enamides was achieved. Depending on the choice of the nitrogen-protecting group, a site-selective synthesis of mono- or diarylated framework(s) was performed under mild conditions. This unprecedented reactivity could be applied to the synthesis of a range of 2- or 2,4-diarylated nitrogen-containing bioactive derivatives.

  19. Elastic scattering and total reaction cross section of {sup 6}He+{sup 120}Sn

    SciTech Connect

    Faria, P. N. de; Lichtenthaeler, R.; Pires, K. C. C.; Lepine-Szily, A.; Guimaraes, V.; Mendes, D. R. Jr.; Barioni, A.; Morcelle, V.; Morais, M. C.; Camargo, O. Jr.; Alcantara Nunez, J.; Moro, A. M.; Arazi, A.; Rodriguez-Gallardo, M.; Assuncao, M.

    2010-04-15

    The elastic scattering of {sup 6}He on {sup 120}Sn has been measured at four energies above the Coulomb barrier using the {sup 6}He beam produced at the RIBRAS (Radioactive Ion Beams in Brasil) facility. The elastic angular distributions have been analyzed with the optical model and three- and four-body continuum-discretized coupled-channels calculations. The total reaction cross sections have been derived and compared with other systems of similar masses.

  20. Compound-nuclear reaction cross sections via the Surrogate method: considering the underlying assumptions

    NASA Astrophysics Data System (ADS)

    Escher, Jutta; Dietrich, Frank

    2006-10-01

    The Surrogate Nuclear Reactions approach makes it possible to determine compound-nuclear reaction cross sections indirectly. The method has been employed to determine (n,f) cross sections for various actinides, including unstable species [1-4]; other, primarily neutron- induced, reactions are being considered also [5,6]. The extraction of the sought-after cross sections typically relies on approximations to the full Surrogate formalism [7]. This presentation will identify and critically examine the most significant assumptions underlying the experimental work carried out so far. Calculations that test the validity of the approximations employed will be presented. [1] J.D. Cramer and H.C. Britt, Nucl. Sci. and Eng. 41, 177(1970); H.C. Britt and J.B. Wilhelmy, ibid. 72, 222(1979) [2] M. Petit et al, Nucl. Phys. A735, 345(2004) [3] C. Plettner et al, Phys. Rev. C 71, 051602(2005); J. Burke et al, Phys. Rev. C. 73, 054604(2006) [4] W. Younes and H.C. Britt, Phys. Rev. C 67, 024610(2003); 68, 034610(2003) [5] L.A. Bernstein et al, AIP Conf. Proc. 769, 890(2005) [6] J. Escher et al, Nucl. Phys. A758, 43c(2005) [7] J. Escher and F.S. Dietrich, submitted (2006)

  1. Bayesian Evaluation Including Covariance Matrices of Neutron-induced Reaction Cross Sections of {sup 181}Ta

    SciTech Connect

    Leeb, H. Schnabel, G.; Srdinko, Th.; Wildpaner, V.

    2015-01-15

    A new evaluation of neutron-induced reactions on {sup 181}Ta using a consistent procedure based on Bayesian statistics is presented. Starting point of the evaluation is the description of nuclear reactions via nuclear models implemented in TALYS 1.4. A retrieval of experimental data was performed and covariance matrices of the experiments were generated from an extensive study of the corresponding literature. All reaction channels required for a transport file up to 200 MeV have been considered and the covariance matrices of cross section uncertainties for the most important channels are determined. The evaluation has been performed in one step including all available experimental data. A comparison of the evaluated cross sections and spectra with experimental data and available evaluations is performed. In general the evaluated cross section reflect our best knowledge and give a fair description of the observables. However, there are few deviations from expectation which clearly indicate the impact of the prior and the need to account for model defects. Using the results of the evaluation a complete ENDF-file similarly to those of the TENDL library is generated.

  2. Combined crossed beam and theoretical studies of the C(1D) + CH4 reaction

    NASA Astrophysics Data System (ADS)

    Leonori, Francesca; Skouteris, Dimitrios; Petrucci, Raffaele; Casavecchia, Piergiorgio; Rosi, Marzio; Balucani, Nadia

    2013-01-01

    The reaction involving atomic carbon in its first electronically excited state 1D and methane has been investigated in crossed molecular beam experiments at a collision energy of 25.3 kJ mol-1. Electronic structure calculations of the underlying potential energy surface (PES) and Rice-Ramsperger-Kassel-Marcus (RRKM) estimates of rates and branching ratios have been performed to assist the interpretation of the experimental results. The reaction proceeds via insertion of C(1D) into one of the C-H bonds of methane leading to the formation of the intermediate HCCH3 (methylcarbene or ethylidene), which either decomposes directly into the products C2H3 + H or C2H2 + H2 or isomerizes to the more stable ethylene, which in turn dissociates into C2H3 + H or H2CC + H2. The experimental results indicate that the H-displacement and H2-elimination channels are of equal importance and that for both channels the reaction mechanism is controlled by the presence of a bound intermediate, the lifetime of which is comparable to its rotational period. On the contrary, RRKM estimates predict a very short lifetime for the insertion intermediate and the dominance of the H-displacement channel. It is concluded that the reaction C(1D) + CH4 cannot be described statistically and a dynamical treatment is necessary to understand its mechanism. Possibly, nonadiabatic effects are responsible for the discrepancies, as triplet and singlet PES of methylcarbene cross each other and intersystem crossing is possible. Similarities with the photodissociation of ethylene and with the related reactions N(2D) + CH4, O(1D) + CH4 and S(1D) + CH4 are also commented on.

  3. Safety of meropenem in patients reporting penicillin allergy: lack of allergic cross reactions.

    PubMed

    Cunha, B A; Hamid, N S; Krol, V; Eisenstein, L

    2008-04-01

    Over the years, meropenem has become the mainstay of empiric therapy for serious systemic infections in critically ill patients. Although we have had extensive clinical experience since 1996 using meropenem safely in treating hundreds of patients with reported allergic reactions to penicillin without any adverse events, we have not published our experience. This study was conducted to document our clinical practice experience. Accordingly, over a 12-month period we prospectively monitored 110 patients treated with meropenem reporting penicillin allergic reactions for that 12-month period. Since early empiric therapy in such patients is essential, there is often no time for penicillin skin testing. Penicillin skin testing was not done in this "real world" clinical study. Patients were divided into two groups, depending on the nature of their penicillin allergic reactions. During a 12-month period, 110 patients with non-anaphylactic (59) and anaphylactic (51) penicillin allergic reactions tolerated prolonged meropenem therapy (1-4 weeks) safely without any allergic reactions. Based on these data and our previous clinical experience, there appears to be little/no potential cross reactivity between meropenem and penicillins even in patients with a definite history of anaphylactic reactions to penicillins. To the best of our knowledge, this is the first prospective clinical study demonstrating that meropenem may be safely given to patients with known/unknown allergic reactions to penicillin, including those with anaphylactic reactions, without penicillin skin testing. We conclude that meropenem may be given safely to patients reporting a history of non-anaphylactic or anaphylactic allergic reactions to penicillins without penicillin skin testing.

  4. Preparation of cross-linked maize (Zea mays L.) starch in different reaction media.

    PubMed

    Hong, Jung Sun; Gomand, Sara V; Delcour, Jan A

    2015-06-25

    Granular normal maize starch was reacted with sodium trimetaphosphate in deionized water ( [Formula: see text] ), aqueous sodium sulfate solution ( [Formula: see text] ), aqueous ethanol (MSethanol) or aqueous acetone (MSacetone) under otherwise identical reaction conditions. Analysis of the resultant starches by Rapid Visco Analysis (RVA) showed that the starch was cross-linked to a higher degree in aqueous ethanol or aqueous acetone than in water or sodium sulfate solution, and with minimal starch leaching. While MSacetone and MSethanol had incorporated similar levels of phosphorous, RVA analysis and microscopic analysis showed that MSacetone granules were more effectively stabilized by cross-linking than MSethanol granules. Cross-linking in aqueous acetone is believed to either contain the greater numbers of distarch monophosphate (versus monostarch monophosphate), or occur more intensively at the granule outer layers than that in aqueous ethanol and, at the same time, to account for the greater granular strength of MSethanol than that of MSacetone.

  5. Cross section measurement of the 159Tb(n, γ)Tb160 nuclear reaction

    NASA Astrophysics Data System (ADS)

    Dzysiuk, N.; Kadenko, I.; Gressier, V.; Koning, A. J.

    2015-04-01

    The cross section of the 159Tb(n, γ)Tb160 reaction was measured in four mono-energetic neutron fields of energy 3.7, 4.3, 5.4, and 6.85 MeV, respectively, with the activation technique applied to metal discs of natural composition. To ensure an acceptable precision of the results all major sources of uncertainties were taken into account. Calculations of detector efficiency, incident neutron spectrum and correction factors were performed with the Monte Carlo code (MCNPX), whereas theoretical excitation functions were calculated with the TALYS-1.2 code and compared to the experimental cross section values. This paper presents both measurements and calculation leading to the cross section values.

  6. Maleimide cross-linked bioactive PEG hydrogel exhibits improved reaction kinetics and cross-linking for cell encapsulation and in-situ delivery

    PubMed Central

    Phelps, Edward A.; Enemchukwu, Nduka O.; Fiore, Vincent F.; Sy, Jay C.; Murthy, Niren; Sulchek, Todd A.; Barker, Thomas H.

    2012-01-01

    Engineered polyethylene glycol-maleimide matrices for regenerative medicine exhibit improved reaction efficiency and wider range of Young’s moduli by utilizing maleimide cross-linking chemistry. This hydrogel chemistry is advantageous for cell delivery due to the mild reaction that occurs rapidly enough for in situ delivery, while easily lending itself to “plug-and-play” design variations such as incorporation of enzyme-cleavable cross-links and cell-adhesion peptides. PMID:22174081

  7. A case of levocetirizine-induced fixed drug eruption and cross-reaction with piperazine derivatives

    PubMed Central

    Kim, Mi-Yeong; Jo, Eun-Jung; Chang, Yoon-Seok; Cho, Sang-Heon; Min, Kyung-Up

    2013-01-01

    Fixed drug eruption is an uncommon adverse drug reaction caused by delayed cell-mediated hypersensitivity. Levocetirizine is an active (R)-enatiomer of cetirizine and there have been a few reports of fixed drug eruption related to these antihistamines. We experienced a case of levocetirizine-induced fixed drug eruption and cross-reaction with other piperazine derivatives confirmed by patch test. A 73-year-old female patient presented with recurrent generalized itching, cutaneous bullae formation, rash and multiple pigmentation at fixed sites after taking drugs for common cold. She took bepotastine besilate (Talion®) and levocetirizine (Xyzal®) as antihistamine. She took acetaminophen, pseudoephedrine 60 mg / triprolidine 2.5 mg (Actifed®), dihydrocodeinebitartrate 5 mg / di-methylephedrine hydrochloride 17.5 mg / chlorpheniramine maleate 1.5 mg / guaifenesin 50 mg (Codening®) and aluminium hydroxide 200 mg / magnesium carbonate 120 mg (Antad®) at the same time. Patch test was done with suspected drugs and the result was positive with levocetirizine. We additionally performed patch test for other antihistamines such as cetirizine, hydroxyzine, fexofenadine and loratadine. Piperazine derivatives (cetirizine and hydroxyzine) were positive, but piperidine derivatives (fexofenadine and loratadine) were negative to patch test. There was no adverse drug reaction when she was challenged with fexofenadine. We report a case of levocetirizine-induced fixed drug eruption confirmed by patch test. Cross-reactions were only observed in the piperazine derivatives and piperidine antihistamine was tolerant to the patient. PMID:24260733

  8. A case of levocetirizine-induced fixed drug eruption and cross-reaction with piperazine derivatives.

    PubMed

    Kim, Mi-Yeong; Jo, Eun-Jung; Chang, Yoon-Seok; Cho, Sang-Heon; Min, Kyung-Up; Kim, Sae-Hoon

    2013-10-01

    Fixed drug eruption is an uncommon adverse drug reaction caused by delayed cell-mediated hypersensitivity. Levocetirizine is an active (R)-enatiomer of cetirizine and there have been a few reports of fixed drug eruption related to these antihistamines. We experienced a case of levocetirizine-induced fixed drug eruption and cross-reaction with other piperazine derivatives confirmed by patch test. A 73-year-old female patient presented with recurrent generalized itching, cutaneous bullae formation, rash and multiple pigmentation at fixed sites after taking drugs for common cold. She took bepotastine besilate (Talion®) and levocetirizine (Xyzal®) as antihistamine. She took acetaminophen, pseudoephedrine 60 mg / triprolidine 2.5 mg (Actifed®), dihydrocodeinebitartrate 5 mg / di-methylephedrine hydrochloride 17.5 mg / chlorpheniramine maleate 1.5 mg / guaifenesin 50 mg (Codening®) and aluminium hydroxide 200 mg / magnesium carbonate 120 mg (Antad®) at the same time. Patch test was done with suspected drugs and the result was positive with levocetirizine. We additionally performed patch test for other antihistamines such as cetirizine, hydroxyzine, fexofenadine and loratadine. Piperazine derivatives (cetirizine and hydroxyzine) were positive, but piperidine derivatives (fexofenadine and loratadine) were negative to patch test. There was no adverse drug reaction when she was challenged with fexofenadine. We report a case of levocetirizine-induced fixed drug eruption confirmed by patch test. Cross-reactions were only observed in the piperazine derivatives and piperidine antihistamine was tolerant to the patient.

  9. Direct measurement of the 22Ne(p,γ)23Na reaction cross section at LUNA

    NASA Astrophysics Data System (ADS)

    Ferraro, Federico; LUNA Collaboration

    2016-06-01

    The 22Ne(p, γ)23Na reaction takes part in the NeNa cycle of hydrogen burning, influencing the production of the elements between 20Ne and 27Al in red giant stars, asymptotic giant stars and classical novae. The 22Ne(p,γ)27Na reaction rate is very uncertain because of a large number of tentative resonances in the Gamow window, where only upper limits were quoted in literature. A direct measurement of the 22Ne(p, γ)23Na reaction cross section has been carried out at LUNA using a windowless differential-pumping gas target with two high- purity germanium (HPGe) detectors. A new measurement with a 4π bismuth germanate (BGO) summing detector is ongoing. During the HPGe phase of the experiment the strengths of the resonances at 156.2 keV, 189.5 keV and 259.7 keV have been directly measured for the first time and their contribution to the reaction rate has been calculated. The decay scheme of the newly discovered resonances has been established as well and some improved upper limits on the unobserved resonances have been put. The BGO detector with its 70% γ-detection efficiency allows to measure the cross section at lower energy. In order to further investigate the resonances at 71 keV and 105 keV and the direct-capture component, the data taking is ongoing.

  10. ARTICLE Crossed Beams Study on the Dynamics of F Atom Reaction with 1,2-Butadiene

    NASA Astrophysics Data System (ADS)

    Xiao, Chong-fa; Shen, Guan-lin; Wang, Xiu-yan; Yang, Xue-ming

    2010-12-01

    We have investigated the dynamics of the F+C4H6 reaction using the universal crossed molecular beam method. The C4H5F+H reaction channel was observed in this experiment. Angular resolved time-of-flight spectra have been measured for the C4H5F product. Product angular distributions as well as kinetic energy distributions were determined for this product channel. Experimental results show that the C4H5F product is largely backward scattered with considerable forward scattering signal, relative to the F atom beam direction. This suggests that the reaction channel mainly proceeds via a long-lived complex formation mechanism, with possible contribution from a direct SN2 type mechanism.

  11. Activation cross sections for reactions induced by 14 MeV neutrons on natural tantalum

    SciTech Connect

    Luo Junhua; Tuo Fei; Kong Xiangzhong

    2009-05-15

    Cross sections for (n,2n), (n,p), (n,n{sup '}{alpha}), (n,t), (n,d{sup '}), and (n,{alpha}) reactions have been measured on tantalum isotopes at the neutron energies of 13.5 to 14.7 MeV using the activation technique. Data are reported for the following reactions: {sup 181}Ta(n,2n){sup 180}Ta{sup g}, {sup 181}Ta(n,p){sup 181}Hf, {sup 181}Ta(n,n{sup '}{alpha}){sup 177}Lu{sup m}, {sup 181}Ta(n,t){sup 179}Hf{sup m2}, {sup 181}Ta(n,d{sup '}){sup 180}Hf{sup m}, and {sup 181}Ta(n,{alpha}){sup 178}Lu{sup m}. The neutron fluences were determined using the monitor reaction {sup 27}Al(n,{alpha}){sup 24}Na. Results were discussed and compared with the previous works.

  12. Theoretical studies of intersystem crossing effects in the O+H2 reaction

    NASA Astrophysics Data System (ADS)

    Hoffmann, Mark R.; Schatz, George C.

    2000-12-01

    We present a general procedure for studying intersystem crossing effects in bimolecular chemical reactions, along with an application of this to the O+H2 reaction. In this procedure, we use previously derived singlet and triplet potential energy surfaces that were based on high quality multireference configuration interaction (MRCI) nonrelativistic electronic structure calculations, and the coupling surface is obtained from lower level complete active space self-consistent field (CASSCF) calculations using the effective nuclear charge one-electron Breit-Pauli expression for the spin-orbit interaction. We find that the resulting spin-orbit splittings match the known values for O(3P), O(1D), and OH(2Π) sufficiently accurately to be useful for dynamics calculations. Also, the electronic basis can be truncated to seven states (1 3A', 1 3A″, and 1 1A') without seriously distorting these asymptotic splittings. We show that the seven states may be exactly decoupled into a set of four, which contains the singlet, and a set of three states from the triplets. We find that the spin-orbit matrix elements vary smoothly with geometry, so that a relatively simple function can be used to interpolate matrix elements for all geometries. The cross sections for reaction are calculated using a trajectory surface-hopping (TSH) approach in conjunction with a "diabatic" representation based on the nonrelativistic potentials and the CASSCF spin-orbit coupling matrix. An application of this approach is presented to the O+H2 reaction, using the 1 1A' state of Dobbyn and Knowles, and 1 3A' and 1 3A″ states of Walch and Kuppermann [slightly modified so that they are asymptotically degenerate in the product (H+OH) region]. The states show a singlet-triplet (S-T) crossing that is generally on the product side of the barrier on the triplet surfaces. The TSH results indicate that only a few percent of the trajectories undergo intersystem crossing (either from singlet to triplet, or vise versa

  13. 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.

  14. Light-mediated heterogeneous cross dehydrogenative coupling reactions: metal oxides as efficient, recyclable, photoredox catalysts in C-C bond-forming reactions.

    PubMed

    Rueping, Magnus; Zoller, Jochen; Fabry, David C; Poscharny, Konstantin; Koenigs, René M; Weirich, Thomas E; Mayer, Joachim

    2012-03-19

    Let there be light: A heterogeneous photocatalytic system based on easily recyclable TiO(2) or ZnO allows cross dehydrogenative coupling reactions of tertiary amines. The newly developed protocols have successfully been applied to various C-C and C-P bond-forming reactions to provide nitro amines as well as amino ketones, nitriles and phosphonates.

  15. Cross sections of proton- and neutron-induced reactions by the Liège intranuclear cascade model

    NASA Astrophysics Data System (ADS)

    Chen, Jian; Dong, Tiekuang; Ren, Zhongzhou

    2016-06-01

    The purpose of the paper is mainly to test the validity of the Liège intranuclear cascade (INCL) model in calculating the cross sections of proton-induced reactions for cosmogenic nuclei using the newly compiled database of proton cross sections. The model calculations of 3He display the rising tendency of cross sections with the increase of energy, in accordance with the experimental data. Meanwhile, the differences between the theoretical results and experimental data of production cross sections (10Be and 26Al) are generally within a factor of 3, meaning that the INCL model works quite well for the proton-induced reactions. Based on the good agreement, we predict the production cross sections of 26Al from reactions n + 27Al, n + 28Si, and n + 40Ca and those of 10Be from reactions n + 16O and n + 28Si. The results also show a good agreement with a posteriori excitation functions.

  16. Cross-linked metalloproteins: Novel systems for the study of intraprotein electron-transfer reactions

    SciTech Connect

    Peerey, L.M.

    1990-01-01

    My initial research shows, for the first time, that proteins can be cross-linked selectively via transition-metal compounds to form stable protein complexes. Incubation of horse heat cytochrome c (designated cyt) with reagents PtCl{sub 4}{sup 2{minus}} and trans-(Pt(2-Fpy){sub 2}Cl{sub 2}) under mild conditions yields stable diprotein complexes trans-(PtCl{sub 2}(cyt){sub 2}) and trans-(Pt(2-Fpy){sub 2}(cyt){sub 2}), respectively (2-Fpy is 2-fluoropyridine). The complexes are purified and characterized chromatographically. Spectroscopic and electrochemical measurements indicate that the structural and redox properties of the cytochrome c molecules remain virtually unaltered upon cross-linking. The diprotein complexes are stable indefinitely under ordinary conditions and yet they can be cleaved, and the native protein restored, in a mild reaction. Subsequent research focused on oxidoreduction reactions involving the electrostatic and the covalent complex of horse heart cytochrome c and Phaseolus vulgaris plastocyanin, and exploring the importance of the protein rearrangement for the intracomplex electron-transfer reaction. Cytochrome c and plastocyanin are cross-linked one-to-one by a carbodiimide, in the same general orientation in which they associate electrostatically. Four isomers of the covalent diprotein complex, which probably differ slightly from one another in the manner of cross-linking, are separated efficiently by cation-exchange chromatography. Electron transfer kinetics of the covalent and electrostatic diprotein complexes are studied using stopped-flow, pulse radiolysis, and flash photolysis experiments. 135 refs., 5 figs., 15 tabs.

  17. Statistical model analysis of α -induced reaction cross sections of 64Zn at low energies

    NASA Astrophysics Data System (ADS)

    Mohr, P.; Gyürky, Gy.; Fülöp, Zs.

    2017-01-01

    Background: α -nucleus potentials play an essential role in the calculation of α -induced reaction cross sections at low energies in the statistical model. Uncertainties of these calculations are related to ambiguities in the adjustment of the potential parameters to experimental elastic scattering angular distributions (typically at higher energies) and to the energy dependence of the effective α -nucleus potentials. Purpose: The present work studies cross sections of α -induced reactions for 64Zn at low energies and their dependence on the chosen input parameters of the statistical model calculations. The new experimental data from the recent Atomki experiments allow for a χ2-based estimate of the uncertainties of calculated cross sections at very low energies. Method: Recently measured data for the (α ,γ ), (α ,n ), and (α ,p ) reactions on 64Zn are compared to calculations in the statistical model. A survey of the parameter space of the widely used computer code talys is given, and the properties of the obtained χ2 landscape are discussed. Results: The best fit to the experimental data at low energies shows χ2/F ≈7.7 per data point, which corresponds to an average deviation of about 30% between the best fit and the experimental data. Several combinations of the various ingredients of the statistical model are able to reach a reasonably small χ2/F , not exceeding the best-fit result by more than a factor of 2. Conclusions: The present experimental data for 64Zn in combination with the statistical model calculations allow us to constrain the astrophysical reaction rate within about a factor of 2. However, the significant excess of χ2/F of the best fit from unity demands further improvement of the statistical model calculations and, in particular, the α -nucleus potential.

  18. Fast and Sequence-Specific Palladium-Mediated Cross-Coupling Reaction Identified from Phage Display

    PubMed Central

    2015-01-01

    Fast and specific bioorthogonal reactions are highly desirable because they provide efficient tracking of biomolecules that are present in low abundance and/or involved in fast dynamic process in living systems. Toward this end, classic strategy involves the optimization of substrate structures and reaction conditions in test tubes, testing their compatibility with biological systems, devising synthetic biology schemes to introduce the modified substrates into living cells or organisms, and finally validating the superior kinetics for enhanced capacity in tracking biomolecules in vivo—a lengthy process often mired by unexpected results. Here, we report a streamlined approach in which the “microenvironment” of a bioorthogonal chemical reporter is exploited directly in biological systems via phage-assisted interrogation of reactivity (PAIR) to optimize not only reaction kinetics but also specificity. Using the PAIR strategy, we identified a short alkyne-containing peptide sequence showing fast kinetics (k2 = 13 000 ± 2000 M–1 s–1) in a palladium-mediated cross-coupling reaction. Site-directed mutagenesis studies suggested that the residues surrounding the alkyne moiety facilitate the assembly of a key palladium–alkyne intermediate along the reaction pathway. When this peptide sequence was inserted into the extracellular domain of epidermal growth factor receptor (EGFR), this reactive sequence directed the specific labeling of EGFR in live mammalian cells. PMID:25025771

  19. GRAPhEME: a setup to measure (n, xn γ) reaction cross sections

    SciTech Connect

    Henning, Greg; Bacquias, A.; Capdevielle, O.; Dessagne, P.; Kerveno, M.; Rudolf, G.; Borcea, C.; Negret, A.; Olacel, A.; Drohe, J.C.; Plompen, A.J.M.; Nyman, M.

    2015-07-01

    Most of nuclear reactor developments are using evaluated data base for numerical simulations. However, the considered databases present still large uncertainties and disagreements. To improve their level of precision, new measurements are needed, in particular for (n, xn) reactions, which are of great importance as they modify the neutron spectrum, the neutron population, and produce radioactive species. The IPHC group started an experimental program to measure (n, xn gamma) reaction cross sections using prompt gamma spectroscopy and neutron energy determination by time of flight. Measurements of (n, xn gamma) cross section have been performed for {sup 235,238}U, {sup 232}Th, {sup nat,182,183,184,186}W, {sup nat}Zr. The experimental setup is installed at the neutron beam at GELINA (Geel, Belgium). The setup has recently been upgraded with the addition of a highly segmented 36 pixels planar HPGe detector. Significant efforts have been made to reduce radiation background and electromagnetic perturbations. The setup is equipped with a high rate digital acquisition system. The analysis of the segmented detector data requires a specific procedure to account for cross signals between pixels. An overall attention is paid to the precision of the measurement. The setup characteristic and the analysis procedure will be presented along with the acquisition and analysis challenges. Examples of results and their impact on models will be discussed. (authors)

  20. Measurement of alpha-induced reaction cross sections on erbium isotopes for γ process studies

    NASA Astrophysics Data System (ADS)

    Kiss, G. G.; Szücs, T.; Török, Zs.; Fülöp, Zs.; Gyürky, Gy.; Halász, Z.; Somorjai, E.; Rauscher, T.

    2014-05-01

    The cross sections of the 162Er(α,γ)166Yb and 162,164,166Er(α,n)165,167,169Yb reactions have been measured at MTA Atomki. The radiative alpha capture reaction cross section was measured between Ec.m. = 11.21 MeV and Ec.m. = 16.09 MeV just above the astrophysically relevant energy region (which lies between 7.8 and 11.48 MeV at T9 = 3 GK). The 162Er(α,n)165Yb, 164Er(α,n)167Yb and 166Er(α,n)169Yb reactions were studied between Ec.m. = 12.19 and 16.09 MeV, Ec.m. = 13.17 and 16.59 MeV and Ec.m. = 12.68 and 17.08 MeV, respectively. The aim of this work is to provide experimental data for modeling the γ process which is thought to be responsible for the production of the proton-rich isotopes heavier than iron.

  1. Measurement of alpha-induced reaction cross sections on erbium isotopes for γ process studies

    SciTech Connect

    Kiss, G. G.; Szücs, T.; Török, Zs.; Fülöp, Zs.; Gyürky, Gy.; Halász, Z.; Somorjai, E.; Rauscher, T.

    2014-05-02

    The cross sections of the {sup 162}Er(α,γ){sup 166}Yb and {sup 162,164,166}Er(α,n){sup 165,167,169}Yb reactions have been measured at MTA Atomki. The radiative alpha capture reaction cross section was measured between E{sub c.m.} = 11.21 MeV and E{sub c.m.} = 16.09 MeV just above the astrophysically relevant energy region (which lies between 7.8 and 11.48 MeV at T{sub 9} = 3 GK). The {sup 162}Er(α,n){sup 165}Yb, {sup 164}Er(α,n){sup 167}Yb and {sup 166}Er(α,n){sup 169}Yb reactions were studied between E{sub c.m.} = 12.19 and 16.09 MeV, E{sub c.m.} = 13.17 and 16.59 MeV and E{sub c.m.} = 12.68 and 17.08 MeV, respectively. The aim of this work is to provide experimental data for modeling the γ process which is thought to be responsible for the production of the proton-rich isotopes heavier than iron.

  2. Pd- and Ni-catalyzed cross-coupling reactions in the synthesis of organic electronic materials.

    PubMed

    Xu, Shiqing; Kim, Eun Hoo; Wei, Alexander; Negishi, Ei-Ichi

    2014-08-01

    Organic molecules and polymers with extended π-conjugation are appealing as advanced electronic materials, and have already found practical applications in thin-film transistors, light emitting diodes, and chemical sensors. Transition metal (TM)-catalyzed cross-coupling methodologies have evolved over the past four decades into one of the most powerful and versatile methods for C-C bond formation, enabling the construction of a diverse and sophisticated range of π-conjugated oligomers and polymers. In this review, we focus our discussion on recent synthetic developments of several important classes of π-conjugated systems using TM-catalyzed cross-coupling reactions, with a perspective on their utility for organic electronic materials.

  3. Pd- and Ni-catalyzed cross-coupling reactions in the synthesis of organic electronic materials

    NASA Astrophysics Data System (ADS)

    Xu, Shiqing; Hoo Kim, Eun; Wei, Alexander; Negishi, Ei-ichi

    2014-08-01

    Organic molecules and polymers with extended π-conjugation are appealing as advanced electronic materials, and have already found practical applications in thin-film transistors, light emitting diodes, and chemical sensors. Transition metal (TM)-catalyzed cross-coupling methodologies have evolved over the past four decades into one of the most powerful and versatile methods for C-C bond formation, enabling the construction of a diverse and sophisticated range of π-conjugated oligomers and polymers. In this review, we focus our discussion on recent synthetic developments of several important classes of π-conjugated systems using TM-catalyzed cross-coupling reactions, with a perspective on their utility for organic electronic materials.

  4. 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.

  5. Pd- and Ni-catalyzed cross-coupling reactions in the synthesis of organic electronic materials

    PubMed Central

    Xu, Shiqing; Kim, Eun Hoo; Wei, Alexander; Negishi, Ei-ichi

    2014-01-01

    Organic molecules and polymers with extended π-conjugation are appealing as advanced electronic materials, and have already found practical applications in thin-film transistors, light emitting diodes, and chemical sensors. Transition metal (TM)-catalyzed cross-coupling methodologies have evolved over the past four decades into one of the most powerful and versatile methods for C–C bond formation, enabling the construction of a diverse and sophisticated range of π-conjugated oligomers and polymers. In this review, we focus our discussion on recent synthetic developments of several important classes of π-conjugated systems using TM-catalyzed cross-coupling reactions, with a perspective on their utility for organic electronic materials. PMID:27877696

  6. Development of Chiral Bis-hydrazone Ligands for the Enantioselective Cross-Coupling Reactions of Aryldimethylsilanolates

    PubMed Central

    2015-01-01

    A palladium-catalyzed, enantioselective, aryl–aryl cross-coupling reaction using 1-naphthyldimethylsilanolates and chiral bis-hydrazone ligands has been developed. A family of glyoxal bis-hydrazone ligands containing various 2,5-diarylpyrrolidine groups was prepared to evaluate the influence of ligand structure on the rate and enantioselectivity of the cross-coupling. New synthetic routes to the 1-amino-2,5-diarylpyrrolidines were developed to enable the structure/reactivity–selectivity studies. Role reversal experiments of aryldimethylsilanolates and aryl bromides result in biaryl products with the same configuration and similar enantioselectivities implying that reductive elimination is the stereodetermining step. The origin of stereoselectivity is rationalized through computational modeling of diarylpalldium(II) complex which occurs through a conrotatory motion for the two aryl groups undergoing C–C bond formation. PMID:25494058

  7. Experimental cross-sections for proton-induced nuclear reactions on natMo

    NASA Astrophysics Data System (ADS)

    Červenák, Jaroslav; Lebeda, Ondřej

    2016-08-01

    In the framework of the Co-ordinated Research Project of the IAEA, we measured in detail cross-sections of the nuclear reactions natMo(p,x)93gTc, 93mTc, 93m+gTc, 94gTc, 94mTc, 95gTc, 95mTc, 96m+gTc, 97mTc, 99mTc, 90Mo, 93mMo, 99Mo, 88gNb, 88mNb, 89gNb, 89mNb, 90m+gNb, 90m+gNbcum, 91mNb, 92mNb, 95gNb, 95mNb, 95m+gNb, 96Nb, 97m+gNb, 88m+gZrcum and 89m+gZrcum in the energy range of 6.9-35.8 MeV. The data for formation of 97mTc, 88gNb, 88mNb and 89mNb are reported for the first time. The obtained results were compared to the prediction of the nuclear reaction model code TALYS adopted from the TENDL-2015 library and to the previously published cross-sections. The thick target yields for all the radionuclides were calculated from the measured data. We suggest recommended cross-sections and thick target yields for the 100Mo(p,2n)99mTc, 100Mo(p,x)99Mo and natMo(p,x)96m+gTc nuclear reactions deduced from the selected experimental data.

  8. Theoretical and experimental cross sections for neutron reactions on /sup 64/Zinc

    SciTech Connect

    Rutherford, D.A.

    1988-03-01

    Accurate measurements of the /sup 64/Zn (n,2n)/sup 63/Zn and /sup 64/Zn (n,p)/sup 64/Cu cross sections at 14.8 MeV have been made using a Texas Nuclear Neutron Generator and the activation technique. A NaI(Tl) spectrometer (using two 6'' x 6'' NaI detectors/crystals) was ued to measure the gamma radiation emitted in coincidence from the positron-emitting decay products. The measurements were made relative to /sup 65/Cu (n,2n)/sup 64/Cu and /sup 63/Cu (n,2n)/sup 62/Cu cross sections, which have similar half-lives, radiation emission, and were previously measured to high accuracy (2%). The value obtained for the (n,2n) measurement was 199 +- 6 millibarns, and a value of 176 +- 4.5 millibarns was obtained for the (n,p) measurement. In concert, a theoretical analysis of neutron induced reactions on /sup 64/Zn was performed at Los Alamos National Laboratory using the Hauser-Feshbach statistical theory in the GNASH code over an energy range of 100 keV to 20 MeV. Calculations included width fluctuation corrections, direct reaction contributions, and preequilibrium corrections above 6 MeV. Neutron optical model potentials were determined for zinc. The theoretical values agree with the new 14.8 MeV measurements approximately within experimental error, with calculations of 201 millibarns for the (n,2n) cross section and 170 millibarns for the (n,p) cross section. Results from the analysis will be made available in National Evaluated Nuclear Data Format (ENDF/B) for fusion energy applications. 50 refs., 34 figs., 10 tabs.

  9. Probing Neutron-Skin Thickness of Unstable Nuclei with Total Reaction Cross Sections

    NASA Astrophysics Data System (ADS)

    Horiuchi, Wataru; Suzuki, Yasuyuki; Inakura, Tsunenori

    We present our recent analysis of the total reaction cross sections, σR, of unstable nuclei and discuss their sensitivity to the neutron-skin thickness. The σR is calculated with the Glauber model using projectile densities obtained with the Skyrme-Hartree-Fock method on the three-dimensional coordinate space. We cover 91 nuclei of O, Ne, Mg, Si, S, Ca, and Ni isotopes. Defining a reaction radius, aR = √{σ R/π } , to characterize the nuclear size and target (proton or 12C) dependence, we see the 12C target probes the matter radius while the proton target is sensitive to the skin-thickness. We find an empirical formula for expressing aR with the point matter radius and the skin thickness, which can be used to determine the skin thickness.

  10. Cross Sections for (gamma)-ray Production in the 191Ir (n,xn(gamma)) Reactions

    SciTech Connect

    Fotiades, N; Nelson, R O; Devlin, M; Chadwick, M B; Talou, P; Becker, J A; Garrett, P E; Younes, W

    2005-01-11

    Discrete {gamma}-ray spectra have been measured for nuclei populated in {sup 191}Ir(n{sub 4}xn{gamma}) with x{<=}11, as a function of incident neutron energy using neutrons from the 'white' neutron source at the Los Alamos Neutron Science Center's WNR facility. The energy of the neutrons was determined using the time-of-flight technique. The data were taken using the GEANIE spectrometer. The cross sections for emission of 202 {gamma} rays of {sup 181-191}Ir were determined for neutron energies 0.2 MeV < E{sub n} < 300 MeV. Comparison with model calculations, using the GNASH reaction model, and with GEANIE results from the similar {sup 193}Ir(n{sub 4}xn{gamma}) reactions is made.

  11. 232Th(n,{gamma})233Th Thermal Reaction Cross-Section Measurement

    SciTech Connect

    Maidana, Nora L.; Vanin, Vito R.; Pascholati, Paulo R.; Helene, Otaviano; Castro, Ruy M.; Dias, Mauro S.; Koskinas, Marina F.

    2005-05-24

    The 232Th(n,{gamma})233Th thermal neutron-capture reaction cross section was measured using targets of {approx} 1.5 mg of high-purity metallic thorium irradiated in the IPEN IEA-R1m 5 MW pool research reactor. The 197Au(n,{gamma})198Au reaction was used to monitor the thermal and epithermal neutron fluxes in the irradiation position, which was found using the Westcott formalism. The residual gamma-ray activity was followed with an HPGe detector. The detector efficiency curve was fitted by the least-squares method applying covariance analysis to all uncertainties involved. The experimental result is {sigma}0 =7.20{+-}0.20 b, in agreement with previous published values.

  12. Alpha capture reaction cross section measurements on Sb isotopes by activation method

    NASA Astrophysics Data System (ADS)

    Korkulu, Z.; Özkan, N.; Kiss, G. G.; Szücs, T.; Fülöp, Zs; Güray, R. T.; Gyürky, Gy; Halász, Z.; Somorjai, E.; Török, Zs; Yalçin, C.

    2016-01-01

    Alpha induced reactions on natural and enriched antimony targets were investigated via the activation technique in the energy range from 9.74 MeV to 15.48 MeV, close to the upper end of the Gamow window at a temperature of 3 GK relevant to the γ-process. The experiments were carried out at the Institute for Nuclear Research, the Hungarian Academy of Sciences (MTA Atomki). 121Sb(α,γ)125I, 121Sb(α,n)124I and 123Sb(α,n)126I reactions were measured using a HPGe detector. In this work, the 121Sb(α,n)124 cross section results and the comparison with the theoretical predictions (obtained with standard settings of the statistical model codes NON-SMOKER and TALYS) were presented.

  13. Underground Cross Section Measurements of Stellar Reactions at Astrophysically Relevant Energies

    NASA Astrophysics Data System (ADS)

    Formicola, A.; Gugliemetti, A.

    Accurate knowledge of thermonuclear reaction rates is important to understand the generation of energy, the luminosity of neutrinos, and the synthesis of elements in stars and in the primordial nucleosynthesis. An innovative experimental approach for the study of nuclear fusion reactions based on an accelerator installed in a low background underground laboratory (the LUNA experiment at the Gran Sasso Laboratory) was able to give breaktrough results in this field over the last 25 years. By going underground and by using the typical techniques of low background physics, it is possible to measure nuclear cross sections down to the energy of stellar interest. In this proceeding, the experimental techniques adopted in underground nuclear astrophysics and an overwiev of present and proposed future facilities and of their major scientific drivers are reported.

  14. Reaction cross-section calculations using new experimental and theoretical level structure data for deformed nuclei

    SciTech Connect

    Hoff, R.W.; Gardner, D.G.; Gardner, M.A.

    1985-05-01

    A technique for modeling level structures of odd-odd nuclei has been used to construct sets of discrete states with energies in the range 0 to 1.5 MeV for several nuclei in the rare-earth and actinide regions. The accuracy of the modeling technique was determined by comparison with experimental data. Examination was made of what effect the use of these new, more complete sets of discrete states has on the calculation of level densities, total reaction cross sections, and isomer ratios. 9 refs.

  15. Oscillatory reaction cross sections caused by normal mode sampling in quasiclassical trajectory calculations

    SciTech Connect

    Nagy, Tibor; Vikár, Anna; Lendvay, György

    2016-01-07

    The quasiclassical trajectory (QCT) method is an efficient and important tool for studying the dynamics of bimolecular reactions. In this method, the motion of the atoms is simulated classically, and the only quantum effect considered is that the initial vibrational states of reactant molecules are semiclassically quantized. A sensible expectation is that the initial ensemble of classical molecular states generated this way should be stationary, similarly to the quantum state it is supposed to represent. The most widely used method for sampling the vibrational phase space of polyatomic molecules is based on the normal mode approximation. In the present work, it is demonstrated that normal mode sampling provides a nonstationary ensemble even for a simple molecule like methane, because real potential energy surfaces are anharmonic in the reactant domain. The consequences were investigated for reaction CH{sub 4} + H → CH{sub 3} + H{sub 2} and its various isotopologs and were found to be dramatic. Reaction probabilities and cross sections obtained from QCT calculations oscillate periodically as a function of the initial distance of the colliding partners and the excitation functions are erratic. The reason is that in the nonstationary ensemble of initial states, the mean bond length of the breaking C–H bond oscillates in time with the frequency of the symmetric stretch mode. We propose a simple method, one-period averaging, in which reactivity parameters are calculated by averaging over an entire period of the mean C–H bond length oscillation, which removes the observed artifacts and provides the physically most reasonable reaction probabilities and cross sections when the initial conditions for QCT calculations are generated by normal mode sampling.

  16. Teaching Absolute Value Meaningfully

    ERIC Educational Resources Information Center

    Wade, Angela

    2012-01-01

    What is the meaning of absolute value? And why do teachers teach students how to solve absolute value equations? Absolute value is a concept introduced in first-year algebra and then reinforced in later courses. Various authors have suggested instructional methods for teaching absolute value to high school students (Wei 2005; Stallings-Roberts…

  17. Chemo- and Diastereoselective N-Heterocyclic Carbene-Catalyzed Cross-Benzoin Reactions Using N-Boc-α-amino Aldehydes.

    PubMed

    Haghshenas, Pouyan; Gravel, Michel

    2016-09-16

    N-Boc-α-amino aldehydes are shown to be excellent partners in cross-benzoin reactions with aliphatic or heteroaromatic aldehydes. The chemoselectivity of the reaction and the facial selectivity on the amino aldehyde allow cross-benzoin products to be obtained in good yields and good diastereomeric ratios. The developed method is utilized as the key step in a concise total synthesis of d-arabino-phytosphingosine.

  18. Gas-phase SN2 and bromine abstraction reactions of chloride ion with bromomethane: reaction cross sections and energy disposal into products.

    PubMed

    Angel, Laurence A; Ervin, Kent M

    2003-01-29

    Reaction cross sections and product velocity distributions are presented for the bimolecular gas-phase nucleophilic substitution (S(N)2) reaction Cl(-) + CH(3)Br --> CH(3)Cl + Br(-) as a function of collision energy, 0.06-24 eV. The exothermic S(N)2 reaction is inefficient compared with phase space theory (PST) and ion-dipole capture models. At the lowest energies, the S(N)2 reaction exhibits the largest cross sections and symmetrical forward/backward scattering of the CH(3)Cl + Br(-) products. The velocity distributions of the CH(3)Cl + Br(-) products are in agreement with an isotropic PST distribution, consistent with a complex-mediated reaction and a statistical internal energy distribution of the products. Above 0.2 eV, the velocity distributions become nonisotropic and nonstatistical, exhibiting CH(3)Cl forward scattering between 0.2 and 0.6 eV. A rebound mechanism with backward scattering above 0.6 eV is accompanied by a new rising feature in the CH(3)Cl + Br(-) cross sections. The competitive endothermic reaction Cl(-) + CH(3)Br --> CH(3) + ClBr(-) rises from its thermochemical threshold at 1.9 +/- 0.4 eV, showing nearly symmetrically scattered products just above threshold and strong backward scattering above 3 eV associated with a second feature in the cross section.

  19. Cross Sections for Neutron-induced Reactions on Actinide Targets Extracted from Surrogate Experiments: A Status Report

    SciTech Connect

    Escher, J E; Burke, J T; Dietrich, F S; Lesher, S R; Scielzo, N D; Thompson, I J; Younes, W

    2009-10-01

    The Surrogate nuclear reactions method, an indirect approach for determining cross sections for compound-nuclear reactions involving difficult-to-measure targets, is reviewed. Focusing on cross sections for neutron-induced reactions on actinides, we review the successes of past and present applications of the method and assess its uncertainties and limitations. The approximations used in the analyses of most experiments work reasonably well for (n,f) cross sections for neutron energies above 1-2 MeV, but lead to discrepancies for low-energy (n,f) reactions, as well as for (n,{gamma}) applications. Correcting for some of the effects neglected in the approximate analyses leads to improved (n,f) results. We outline steps that will further improve the accuracy and reliability of the Surrogate method and extend its applicability to reactions that cannot be approached with the present implementation of the method.

  20. Investigation of activation cross-section data of proton induced nuclear reactions on rhenium.

    PubMed

    Ditrói, F; Tárkányi, F; Takács, S; Hermanne, A; Yamazaki, H; Baba, M; Mohammadi, A; Ignatyuk, A V

    2013-07-01

    In the frame of systematic investigations of activation cross-section data for different applications the excitation functions of (nat)Re(p,x)(185)Os, (183m)Os, (183g)Os, (182)Os, (181m)Os, (186g)Re, (184m)Re, (184g)Re, (183)Re, (182m)Re, (182g)Re and (181g)Re reactions were measured up to 70MeV. The data for the (nat)Re(p,x) (183m)Os, (183g)Os, (182)Os, (181g)Os,(186g)Re, (184m)Re,(182m)Re, (182g)Re, and (181)Re reactions are reported for the first time. The activation method, the stacked foil irradiation technique and γ-spectroscopy for activity detection were used. The experimental data were compared with predictions of three theoretical codes. From the measured cross-section thick target integral yields were also calculated and presented.

  1. Cross Section Measurements of 12C+16O Fusion Reaction at Stellar Energies

    NASA Astrophysics Data System (ADS)

    Tan, Wanpeng; Fang, X.; Beard, M.; Gilardy, G.; Jung, H.; Liu, Q.; Lyons, S.; Robertson, D.; Setoodehnia, K.; Seymour, C.; Stech, E.; Vande Kolk, B.; Wiescher, M.; de Souza, R.; Hudan, S.; Singh, V.; Tang, X.; Uberseder, E.

    2016-09-01

    12C+16O is one of the three fusion reactions (12C+12C, 12C+16O, and 16O+16O) that play an important role at the late stage of stellar evolution in massive stars. The previous meassurements of its cross section at low energies rely on the singles measurements of either gamma rays or charged particles. New measurement was conducted for the 12C+16O reaction at Ecm = 3.64 - 4.93 MeV with the detection of both gammas and charged particles using the high intensity St ANA accelerator at the University of Notre Dame. The protons and alphas from the fusion evaporation were measured by a large area silicon strip detector array (SAND) while the gamma rays were detected by one large volume HPGe detector right after the target. Statistical model calculation were employed to interpret the experimental results. This provided a more reliable extrapolation for the 12C+16O fusion cross section, reducing substantially the uncertainty for stellar model simulations. This work was supported by the National Science Foundation through Grant Numbers PHY-1068192 and PHY-1419765 and the Joint Institute for Nuclear Astrophysics under Grant No. PHY-0822648.

  2. Halo and Core Parameters Extracted from a Data on Reaction Cross-section in the Glauber Model

    NASA Astrophysics Data System (ADS)

    Novikov, Ivan; Rueter, Keiti; Shabelski, Yuli

    2017-01-01

    Core and halo radii for various exotic nuclei were extracted from the experimental data on the interaction cross-section using exact expressions obtained in the Glauber theory using Markov Chain Monte Carlo approach. Here, the difference between reaction and interaction cross-sections were taken into account The results of the experimental data analyzes on interaction cross-section of 11Li, 16C, 31Ne and 37Mg nuclei on 12C target are presented.

  3. Direct access to ketones from aldehydes via rhodium-catalyzed cross-coupling reaction with potassium trifluoro(organo)borates.

    PubMed

    Pucheault, Mathieu; Darses, Sylvain; Genet, Jean-Pierre

    2004-12-01

    A direct cross-coupling reaction of aromatic aldehydes with potassium trifluoro(organo)borates afforded ketones in high yields and under mild conditions in the presence of a rhodium catalyst and acetone. This new reaction, involving a formal aldehyde C-H bond activation, is believed to proceed via a Heck-type mechanism followed by hydride transfer to acetone.

  4. Organometallic nickel(III) complexes relevant to cross-coupling and carbon-heteroatom bond formation reactions.

    PubMed

    Zheng, Bo; Tang, Fengzhi; Luo, Jia; Schultz, Jason W; Rath, Nigam P; Mirica, Liviu M

    2014-04-30

    Nickel complexes have been widely employed as catalysts in C-C and C-heteroatom bond formation reactions. In addition to Ni(0) and Ni(II) intermediates, several Ni-catalyzed reactions are proposed to also involve odd-electron Ni(I) and Ni(III) oxidation states. We report herein the isolation, structural and spectroscopic characterization, and organometallic reactivity of Ni(III) complexes containing aryl and alkyl ligands. These Ni(III) species undergo transmetalation and/or reductive elimination reactions to form new C-C or C-heteroatom bonds and are also competent catalysts for Kumada and Negishi cross-coupling reactions. Overall, these results provide strong evidence for the direct involvement of organometallic Ni(III) species in cross-coupling reactions and oxidatively induced C-heteroatom bond formation reactions.

  5. Lewis acid catalysis of photochemical reactions. 7. Photodimerization and cross-cycloaddition of cinnamic esters

    SciTech Connect

    Lewis, F.D.; Quillen, S.L.; Hale, P.D.; Oxman, J.D.

    1988-02-17

    The effects of Lewis acid complexation upon the molecular structure, solid-state photodimerization, and solution dimerization and cross-cycloaddition of cinnamic esters have been investigated. Comparison of crystal structures for free and SnCl/sub 4/-complexed ethyl cinnamate indicates that the enone double bonds are lengthened, the single bonds are shortened, and the enone conformation changes from s-cis to s-trans upon complexation. These changes are consistent with calculated changes in ..pi.. bonding and net charges. Solid-state photodimerization of free and complexed cinnamic esters and related molecules yield syn head-to-tail (..cap alpha..-truxillate) dimers. In most cases the Lewis acid complexes dimerize more efficiently and stereoselectively than the free esters. Photodimerization and cross-cycloaddition of methyl cinnamate in dilute solution is also catalyzed by Lewis acids. The mechanism of these reactions involves electronic excitation of a ground-state ester (dimerization) or simple olefin (cross cycloaddition). The catalytic effect of Lewis acids is attributed to an increase in excited-state lifetime and reactivity.

  6. Patch testing and cross sensitivity study of adverse cutaneous drug reactions due to anticonvulsants: A preliminary report

    PubMed Central

    Shiny, T N; Mahajan, Vikram K; Mehta, Karaninder S; Chauhan, Pushpinder S; Rawat, Ritu; Sharma, Rajni

    2017-01-01

    AIM To evaluate the utility of patch test and cross-sensitivity patterns in patients with adverse cutaneous drug reactions (ACDR) from common anticonvulsants. METHODS Twenty-four (M:F = 13:11) patients aged 18-75 years with ACDR from anticonvulsants were patch tested 3-27 mo after complete recovery using carbamazepine, phenytoin, phenobarbitone, lamotrigine, and sodium valproate in 10%, 20% and 30% conc. in pet. after informed consent. Positive reactions persisting on D3 and D4 were considered significant. RESULTS Clinical patterns were exanthematous drug rash with or without systemic involvement (DRESS) in 18 (75%), Stevens-Johnsons syndrome/toxic epidermal necrolysis (SJS/TEN) overlap and TEN in 2 (8.3%) patients each, SJS and lichenoid drug eruption in 1 (4.2%) patient each, respectively. The implicated drugs were phenytoin in 14 (58.3%), carbamazepine in 9 (37.5%), phenobarbitone in 2 (8.3%), and lamotrigine in 1 (4.7%) patients, respectively. Twelve (50%) patients elicited positive reactions to implicated drugs; carbamazepine in 6 (50%), phenytoin alone in 4 (33.3%), phenobarbitone alone in 1 (8.3%), and both phenytoin and phenobarbitone in 1 (8.33%) patients, respectively. Cross-reactions occurred in 11 (92%) patients. Six patients with carbamazepine positive patch test reaction showed cross sensitivity with phenobarbitone, sodium valproate and/or lamotrigine. Three (75%) patients among positive phenytoin patch test reactions had cross reactions with phenobarbitone, lamotrigine, and/or valproate. CONCLUSION Carbamazepine remains the commonest anticonvulsant causing ACDRs and cross-reactions with other anticonvulsants are possible. Drug patch testing appears useful in DRESS for drug imputability and cross-reactions established clinically.

  7. Catalyst activation, deactivation, and degradation in palladium-mediated Negishi cross-coupling reactions.

    PubMed

    Böck, Katharina; Feil, Julia E; Karaghiosoff, Konstantin; Koszinowski, Konrad

    2015-03-27

    Pd-mediated Negishi cross-coupling reactions were studied by a combination of kinetic measurements, electrospray-ionization (ESI) mass spectrometry, (31)P NMR and UV/Vis spectroscopy. The kinetic measurements point to a rate-determining oxidative addition. Surprisingly, this step seems to involve not only the Pd catalyst and the aryl halide substrate, but also the organozinc reagent. In this context, the ESI-mass spectrometric observation of heterobimetallic Pd-Zn complexes [L2 PdZnR](+) (L=S-PHOS, R=Bu, Ph, Bn) is particularly revealing. The inferred presence of these and related neutral complexes with a direct Pd-Zn interaction in solution explains how the organozinc reagent can modulate the reactivity of the Pd catalyst. Previous theoretical calculations by González-Pérez et al. (Organometallics- 2012, 31, 2053) suggest that the complexation by the organozinc reagent lowers the activity of the Pd catalyst. Presumably, a similar effect also causes the rate decrease observed upon addition of ZnBr2 . In contrast, added LiBr apparently counteracts the formation of Pd-Zn complexes and restores the high activity of the Pd catalyst. At longer reaction times, deactivation processes due to degradation of the S-PHOS ligand and aggregation of the Pd catalyst come into play, thus further contributing to the appreciable complexity of the title reaction.

  8. NHC Nickel-Catalyzed Suzuki-Miyaura Cross-Coupling Reactions of Aryl Boronate Esters with Perfluorobenzenes.

    PubMed

    Zhou, Jing; Berthel, Johannes H J; Kuntze-Fechner, Maximilian W; Friedrich, Alexandra; Marder, Todd B; Radius, Udo

    2016-07-01

    An efficient Suzuki-Miyaura cross-coupling reaction of perfluorinated arenes with aryl boronate esters using NHC nickel complexes as catalysts is described. The efficiencies of different boronate esters (p-tolyl-Beg, p-tolyl-Bneop, p-tolyl-Bpin, p-tolyl-Bcat) and the corresponding boronic acid (p-tolyl-B(OH)2) in this type of cross-coupling reaction were evaluated (eg, ethyleneglycolato; neop, neopentylglycolato; pin, pinacolato; cat, catecholato). Aryl-Beg was shown to be the most reactive boronate ester among those studied. The use of CsF as an additive is essential for an efficient reaction of hexafluorobenzene with aryl neopentylglycolboronates.

  9. A novel 4-aminoantipyrine-Pd(II) complex catalyzes Suzuki–Miyaura cross-coupling reactions of aryl halides

    PubMed Central

    Mendoza-Rayo, Darío; Rincón-Medina, José A; Chacón-García, Luis

    2014-01-01

    Summary A simple and efficient catalytic system based on a Pd complex of 4-aminoantipyrine, 4-AAP–Pd(II), was found to be highly active for Suzuki–Miyaura cross-coupling of aryl iodides and bromides with phenylboronic acids under mild reaction conditions. Good to excellent product yields from the cross-coupling reaction can be achieved when the reaction is carried out in ethanol, in the open air, using low loading of 4-AAP–Pd(II) as a precatalyst, and in the presence of aqueous K2CO3 as the base. A variety of functional groups are tolerated. PMID:25550748

  10. Study of activation cross-sections of deuteron induced reactions on rhodium up to 40 MeV

    NASA Astrophysics Data System (ADS)

    Ditrói, F.; Tárkányi, F.; Takács, S.; Hermanne, A.; Yamazaki, H.; Baba, M.; Mohammadi, A.; Ignatyuk, A. V.

    2011-09-01

    In the frame of a systematic study of the activation cross-sections of deuteron induced nuclear reactions, excitation functions of the 103Rh(d,x) 100,101,103Pd, 100g,101m,101g,102m,102gRh and 103gRu reactions were determined up to 40 MeV. Cross-sections were measured with the activation method using a stacked foil irradiation technique. Excitation functions of the contributing reactions were calculated using the ALICE-IPPE, EMPIRE-II and TALYS codes. From the measured cross-section data integral production yields were calculated and compared with experimental integral yield data reported in the literature. From the measured cross-sections and previous data, activation curves were deduced to support thin layer activation (TLA) on rhodium and Rh containing alloys.

  11. 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.

  12. Revised Production Rates for Na-22 and Mn-54 in Meteorites Using Cross Sections Measured for Neutron-induced Reactions

    NASA Technical Reports Server (NTRS)

    Sisterson, J. M.; Kim, K. J.; Reedy, R. C.

    2004-01-01

    The interactions of galactic cosmic rays (GCR) with extraterrestrial bodies produce small amounts of radionuclides and stable isotopes. The production rates of many relatively short-lived radionuclides, including 2.6-year Na-22 and 312-day Mn-54, have been measured in several meteorites collected very soon after they fell. Theoretical models used to calculate production rates for comparison with the measured values rely on input data containing good cross section measurements for all relevant reactions. Most GCR particles are protons, but secondary neutrons make most cosmogenic nuclides. Calculated production rates using only cross sections for proton-induced reactions do not agree well with measurements. One possible explanation is that the contribution to the production rate from reactions initiated by secondary neutrons produced in primary GCR interactions should be included explicitly. This, however, is difficult to do because so few of the relevant cross sections for neutron-induced reactions have been measured.

  13. New data on cross sections for partial and total photoneutron reactions on the isotopes {sup 91,94}Zr

    SciTech Connect

    Varlamov, V. V.; Makarov, M. A.; Peskov, N. N.; Stepanov, M. E.

    2015-07-15

    Experimental data on {sup 91,94}Zr photodisintegration that were obtained in a beam of quasimonoenergetic annihilation photons by the method of neutron multiplicity sorting are analyzed. It is found that the cross sections for the (γ, 1n), (γ, 2n), and (γ, 3n) reactions on both isotopes do not meet the objective data-reliability criteria formulated earlier. Within the experimental–theoretical method for evaluating partial-reaction cross sections that satisfy these criteria, new data on the cross sections for the aforementioned partial reactions, as well as for the (γ, sn) = (γ, 1n) + (γ, 2n) + (γ, 3n) +... total photoneutron reaction, are obtained for the isotopes {sup 91,94}Zr.

  14. Spin distributions and cross sections of evaporation residues in the 28Si+176Yb reaction

    NASA Astrophysics Data System (ADS)

    Sudarshan, K.; Tripathi, R.; Sodaye, S.; Sharma, S. K.; Pujari, P. K.; Gehlot, J.; Madhavan, N.; Nath, S.; Mohanto, G.; Mukul, I.; Jhingan, A.; Mazumdar, I.

    2017-02-01

    Background: Non-compound-nucleus fission in the preactinide region has been an active area of investigation in the recent past. Based on the measurements of fission-fragment mass distributions in the fission of 202Po, populated by reactions with varying entrance channel mass asymmetry, the onset of non-compound-nucleus fission was proposed to be around ZpZt˜1000 [Phys. Rev. C 77, 024606 (2008), 10.1103/PhysRevC.77.024606], where Zp and Zt are the projectile and target proton numbers, respectively. Purpose: The present paper is aimed at the measurement of cross sections and spin distributions of evaporation residues in the 28Si+176Yb reaction (ZpZt=980 ) to investigate the fusion hindrance which, in turn, would give information about the contribution from non-compound-nucleus fission in this reaction. Method: Evaporation-residue cross sections were measured in the beam energy range of 129-166 MeV using the hybrid recoil mass analyzer (HYRA) operated in the gas-filled mode. Evaporation-residue cross sections were also measured by the recoil catcher technique followed by off-line γ -ray spectrometry at few intermediate energies. γ -ray multiplicities of evaporation residues were measured to infer about their spin distribution. The measurements were carried out using NaI(Tl) detector-based 4π-spin spectrometer from the Tata Institute of Fundamental Research, Mumbai, coupled to the HYRA. Results: Evaporation-residue cross sections were significantly lower compared to those calculated using the statistical model code pace2 [Phys. Rev. C 21, 230 (1980), 10.1103/PhysRevC.21.230] with the coupled-channel fusion model code ccfus [Comput. Phys. Commun. 46, 187 (1987), 10.1016/0010-4655(87)90045-2] at beam energies close to the entrance channel Coulomb barrier. At higher beam energies, experimental cross sections were close to those predicted by the model. Average γ -ray multiplicities or angular momentum values of evaporation residues were in agreement with the

  15. Extracting nuclear sizes of medium to heavy nuclei from total reaction cross sections

    NASA Astrophysics Data System (ADS)

    Horiuchi, W.; Hatakeyama, S.; Ebata, S.; Suzuki, Y.

    2016-04-01

    Background: Proton and neutron radii are fundamental quantities of atomic nuclei. To study the sizes of short-lived unstable nuclei, there is a need for an alternative to electron scattering. Purpose: The recent paper by Horiuchi et al. [Phys. Rev. C 89, 011601(R) (2014)], 10.1103/PhysRevC.89.011601 proposed a possible way of extracting the matter and neutron-skin thickness of light- to medium-mass nuclei using total reaction cross section, σR. The analysis is extended to medium to heavy nuclei up to lead isotopes with due attention to Coulomb breakup contributions as well as density distributions improved by paring correlation. Methods: We formulate a quantitative calculation of σR based on the Glauber model including the Coulomb breakup. To substantiate the treatment of the Coulomb breakup, we also evaluate the Coulomb breakup cross section due to the electric dipole field in a canonical-basis-time-dependent-Hartree-Fock-Bogoliubov theory in the three-dimensional coordinate space. Results: We analyze σR's of 103 nuclei with Z =20 , 28, 40, 50, 70, and 82 incident on light targets, H,21, 4He, and 12C. Three kinds of Skyrme interactions are tested to generate those wave functions. To discuss possible uncertainty due to the Coulomb breakup, we examine its dependence on the target, the incident energy, and the Skyrme interaction. The proton is a most promising target for extracting the nuclear sizes as the Coulomb excitation can safely be neglected. We find that the so-called reaction radius, aR=√{σR/π } , for the proton target is very well approximated by a linear function of two variables, the matter radius and the skin thickness, in which three constants depend only on the incident energy. We quantify the accuracy of σR measurements needed to extract the nuclear sizes. Conclusions: The proton is the best target because, once the incident energy is set, its aR is very accurately determined by only the matter radius and neutron-skin thickness. If σR's at

  16. Temperature dependence for the absolute rate constant for the reaction CH/sub 2/OH + O/sub 2/. -->. HO/sub 2/ + H/sub 2/CO from 215 to 300 K

    SciTech Connect

    Nesbitt, F.L.; Payne, W.A.; Stief, L.J.

    1988-07-14

    The absolute rate constant for the reaction CH/sub 2/OH + O/sub 2/ ..-->.. HO/sub 2/ + H/sub 2/CO has been determined from 215 to 300 K in a discharge flow system at 1-Torr pressure. The decay of CH/sub 2/OH was monitored in excess O/sub 2/ by collision-free sampling mass spectrometry. The temperature dependence observed is quite different from the usual Arrhenius form. For the 215-250 K interval, an activation energy of 3.4 kcal/mol is obtained. Above 250 K, the rate constant increases at a slower rate; previous high-temperature studies (1000-2000 K) again show a faster increase in the rate constant. A possible explanation for these observations is that the reaction mechanism changes from addition at low temperature to direct abstraction at high temperatures.

  17. Study of the cross-reaction between rabbit anti-bovine serum albumin antibodies and equine serum albumin

    PubMed Central

    Rangel, H.

    1965-01-01

    Cross-reactions between bovine serum albumin and equine serum albumin were studied using heterologous soluble complexes and specifically purified cross-reacting antibody. Experiments with soluble complexes showed that homologous antigen can displace heterologous antigen specifically bound to antibody but heterologous antigen cannot displace homologous antigen. On gel precipitation tests a specific precipitation resulted when heterologous soluble complex reacted with homologous antigen. By using equine serum albumin conjugated to polyaminopolystyrene the cross-reacting antibodies from anti-bovine serum albumin imune sera could be isolated. These are divalent 7S, γ-globulin antibodies. A figure of cross-reaction was obtained when these purified antibodies were tested by double diffusion in agar with bovine and equine serum albumins. The results obtained both with soluble complexes and with purified antibody support the view that cross-reacting antibody is more avid for the homologous than for the heterologous antigen. ImagesFIG. 3FIG. 4FIG. 5 PMID:14245318

  18. Parameters of Density Distribution of Exotic Nuclei Extracted from a Data on Reaction Cross-section in the Glauber Model

    NASA Astrophysics Data System (ADS)

    Novikov, Ivan; Rueter, Keiti

    2016-09-01

    Parameters of density distribution of exotic nuclei with halo structure were extracted from the experimental data on the interaction cross-section using exact expressions obtained in the Glauber theory. Generally, to do so measured interaction cross-section is compared with a reaction cross-section calculated in optical approximation or using exact expressions of the Glauber theory. It was shown before that the parameters of nuclear density distribution depends on chosen density model (Gaussian, harmonic oscillator or Woods-Saxon) and on the used approximation of the Glauber theory (i.e. optical or rigid target). In the presented paper, we discuss the difference between reaction and interaction cross-sections calculated in various approximations, and how this difference affects the accuracy of the nuclear density parameters determination. As an example, we provide results of the analyzes of experimental data on interaction cross-section of 11Li, 16C and 31Ne nuclei on 12C target.

  19. Study for Nuclear Structures of 22-35Na Isotopes via Measurements of Reaction Cross Sections

    NASA Astrophysics Data System (ADS)

    Suzuki, Shinji

    2014-09-01

    T. Ohtsubo, M. Nagashima, T. Ogura, Y. Shimbara (Grad. Sch. of Sc., Niigata Univ.), M.Takechi, H. Geissel, M. Winkler (GSI), D. Nishimura, T. Sumikama (Dept. of Phys., Tokyo Univ. of Sc.), M. Fukuda, M. Mihara, H. Uenishi (Dept. of Phys., Osaka Univ.), T. Kuboki, T. Suzuki, T. Yamaguchi, H. Furuki, C. S. Lee, K. Sato (Dept. of Phys., Saitama Univ.), A. Ozawa, H. Ohnishi, T. Moriguchi, S. Fukuda, Y. Ishibashi, D. Nagae, R. Nishikiori, T. Niwa (Inst. of Phys., Univ. of Tsukuba), N. Aoi (RCNP), Rui-Jiu Chen, N. Inabe, D. Kameda, T. Kubo, M. Lantz, T. Ohnishi, K. Okumura, H. Sakurai, H. Suzuki, H. Takeda, S. Takeuchi, K. Tanaka, Y. Yanagisawa (RIKEN), De-Qing Fang, Yu-Gang Ma (SINAP), T. Izumikawa (RI Ctr., Niigata Univ.), and S. Momota (Fac. of Engn., Kochi Univ. of Tech.) Reaction cross sections (σR) for 22-35Na isotopes have been measured at around 240 MeV/nucleon. The σR for 22-35Na were measured for the first time. Enhancement in cross sections is clearly observed from the systematics for stable nuclei, for isotopes with large mass numbers. These enhancement can be mainly ascribed to the nuclear deformation. We will discuss the nuclear structure (neutron skin, nuclear shell structure) for neutron-excess Na isotopes. T. Ohtsubo, M. Nagashima, T. Ogura, Y. Shimbara (Grad. Sch. of Sc., Niigata Univ.), M.Takechi, H. Geissel, M. Winkler (GSI), D. Nishimura, T. Sumikama (Dept. of Phys., Tokyo Univ. of Sc.), M. Fukuda, M. Mihara, H. Uenishi (Dept. of Phys., Osaka Univ.), T. Kuboki, T. Suzuki, T. Yamaguchi, H. Furuki, C. S. Lee, K. Sato (Dept. of Phys., Saitama Univ.), A. Ozawa, H. Ohnishi, T. Moriguchi, S. Fukuda, Y. Ishibashi, D. Nagae, R. Nishikiori, T. Niwa (Inst. of Phys., Univ. of Tsukuba), N. Aoi (RCNP), Rui-Jiu Chen, N. Inabe, D. Kameda, T. Kubo, M. Lantz, T. Ohnishi, K. Okumura, H. Sakurai, H. Suzuki, H. Takeda, S. Takeuchi, K. Tanaka, Y. Yanagisawa (RIKEN), De-Qing Fang, Yu-Gang Ma (SINAP), T. Izumikawa (RI Ctr., Niigata Univ.), and S. Momota (Fac. of Engn

  20. First experimental determination of the absolute gas-phase rate coefficient for the reaction of OH with 4-hydroxy-2-butanone (4H2B) at 294 K by vapor pressure measurements of 4H2B.

    PubMed

    El Dib, Gisèle; Sleiman, Chantal; Canosa, André; Travers, Daniel; Courbe, Jonathan; Sawaya, Terufat; Mokbel, Ilham; Chakir, Abdelkhaleq

    2013-01-10

    The reaction of the OH radicals with 4-hydroxy-2-butanone was investigated in the gas phase using an absolute rate method at room temperature and over the pressure range 10-330 Torr in He and air as diluent gases. The rate coefficients were measured using pulsed laser photolysis (PLP) of H(2)O(2) to produce OH and laser induced fluorescence (LIF) to measure the OH temporal profile. An average value of (4.8 ± 1.2) × 10(-12) cm(3) molecule(-1) s(-1) was obtained. The OH quantum yield following the 266 nm pulsed laser photolysis of 4-hydroxy-2-butanone was measured for the first time and found to be about 0.3%. The investigated kinetic study required accurate measurements of the vapor pressure of 4-hydroxy-2-butanone, which was measured using a static apparatus. The vapor pressure was found to range from 0.056 to 7.11 Torr between 254 and 323 K. This work provides the first absolute rate coefficients for the reaction of 4-hydroxy-2-butanone with OH and the first experimental saturated vapor pressures of the studied compound below 311 K. The obtained results are compared to those of the literature and the effects of the experimental conditions on the reactivity are examined. The calculated tropospheric lifetime obtained in this work suggests that once emitted into the atmosphere, 4H2B may contribute to the photochemical pollution in a local or regional scale.

  1. Stereospecific Cross-Coupling Reactions of Aryl-Substituted Tetrahydrofurans, Tetrahydropyrans, and Lactones

    PubMed Central

    2015-01-01

    The stereospecific ring-opening of O-heterocycles to provide acyclic alcohols and carboxylic acids with controlled formation of a new C–C bond is reported. These reactions provide new methods for synthesis of acyclic polyketide analogs with complex stereochemical arrays. Stereoselective synthesis of the cyclic template is utilized to control relative configuration; subsequent stereospecific nickel-catalyzed ring-opening affords the acyclic product. Aryl-substituted tetrahydrofurans and tetrahydropyrans undergo nickel-catalyzed Kumada-type coupling with a range of Grignard reagents to furnish acyclic alcohols with high diastereoselectivity. Enantioenriched lactones undergo Negishi-type cross-coupling with dimethylzinc to afford enantioenriched carboxylic acids. Application in a two-step enantioselective synthesis of an anti-dyslipidemia agent is demonstrated. PMID:25308512

  2. Structure of 8Li from a reaction cross-section measurement

    NASA Astrophysics Data System (ADS)

    Fan, G. W.; Fukuda, M.; Nishimura, D.; Cai, X. L.; Fukuda, S.; Hachiuma, I.; Ichikawa, C.; Izumikawa, T.; Kanazawa, M.; Kitagawa, A.; Kuboki, T.; Lantz, M.; Mihara, M.; Nagashima, M.; Namihira, K.; Ohkuma, Y.; Ohtsubo, T.; Ren, Zhongzhou; Sato, S.; Shen, Z. Q.; Sugiyama, M.; Suzuki, S.; Suzuki, T.; Takechi, M.; Yamaguchi, T.; Xu, B. J.; Xu, W.

    2014-10-01

    We have precisely measured reaction cross sections (σR) for 8Li using 9Be, 12C , 27Al, and proton targets at intermediate energies by the transmission method. From the energy dependence of the σR including the high energy data, the density distribution of 8Li was deduced through a modified Glauber model. It is shown that 8Li has a shorter tail structure in the density as compared with that of 8B and the matter radius of 8Li is similar to those of the other nonhalo Li isotopes. The result is consistent with the previous experiments that there is a tendency for 8Li to be a skin nucleus.

  3. Cross section calculations of medical 103Pd radioisotope using α and 3He induced reactions

    NASA Astrophysics Data System (ADS)

    Demir, Bayram; Sarpün, Ismail Hakkı; Dogan, Yunus Emre

    2016-11-01

    One of the most popular radioisotopes used in the prostate brachytherapy is Palladium-103 (103Pd). The radioactive plaque is sewn onto the eye as to cover the intraocular tumor shadow with a 2-3 mm margin. These plaques are temporary and radiation is continuously delivered over 5 to 7 days. At the end of treatment, the plaque is removed from eye. In this study, production cross-section calculations of 103Pd radionuclide used in brachytherapy produced by 101Ru(α,2n), 100Ru(α,n), 102Ru(3He,2n) and 101Ru(3He,n) reactions have been investigated in the different incident energy range up to 35 MeV. Twocomponent Exciton model and Generalized Superfluid model of the TALYS 1.6 code used to perform calculations and calculation results were compared with experimental results reported in the literature.

  4. Reaction cross section for solar flare neutrinos with Cl-37 and O-16 targets

    SciTech Connect

    Fukugita, M.; Kohyama, Y.; Kubodera, K.; Kuramoto, T.

    1989-02-01

    Neutrino reaction cross sections are calculated for Cl-37 (electron neutrino, electron) Ar-37 and electron neutrino + O-16 yields electron + anything for the neutrino energy range 50-200 MeV. If the excess neutrino captures observed in the Davis experiment, which seem to correspond to the period during which large solar flares were recorded, are ascribed to the solar-flare neutrinos, 5000 (300) recoil electron events are expected in a 1000-ton water Cerenkov detector, if neutrino energy is 100 (50) MeV. Such detectors have a sensitivity to monitor the solar-flare neutrino event to the level of the maximum theoretical estimate for the flare neutrino flux. 22 refs.

  5. Bienzyme reactions on cross-linked DNA scaffolds for electrochemical analysis.

    PubMed

    Hirano, Yu; Ikegami, Masiki; Kowata, Keiko; Komatsu, Yasuo

    2017-02-01

    Enzymes play an essential role in various detection technologies. We show here that interstrand cross-linked oligodeoxynucleotides (CL-ODNs) can provide stable scaffolds for efficiently coupling two types of enzymatic reactions on an electrode. Glucose can be electrochemically detected using glucose oxidase (GOx) and horseradish peroxidase (HRP). When both GOx and HRP were immobilized on an electrode surface by attachment at the termini of CL-ODNs, the current value was markedly increased compared with that obtained on a standard ODN scaffold. The relative orientation of the enzymes on the electrode strongly affected the current intensities. The CL-ODN also allowed GOx-HRP to form a complex on the tiny surface of a microelectrode, resulting in the imaging of local glucose distribution. These results suggest that CL-ODNs have potential utility in other sensing technologies.

  6. Serological cross-reaction between Legionella pneumophila and campylobacter in the indirect fluorescent antibody test.

    PubMed Central

    Boswell, T. C.; Kudesia, G.

    1992-01-01

    Sera from 50 patients with culture-proven campylobacter gastroenteritis were examined for the presence of antibodies to Legionella pneumophila. Ten patients (20%) had a positive titre (> or = 16) as measured by indirect immunofluorescence. Antibodies were detected in only 1 of 36 acute sera but in 10 of 14 (71%) sera obtained more than 10 days after the onset of symptoms. All positive sera contained specific IgM antibodies but specific IgG or IgA could not be detected in any sample. No legionella antibodies could be detected in sera from 42 similar patients with salmonella gastroenteritis. These results were shown to be due to serological cross-reaction between L. pneumophila and campylobacter. PMID:1397117

  7. Neutron activation analysis of certified samples by the absolute method

    NASA Astrophysics Data System (ADS)

    Kadem, F.; Belouadah, N.; Idiri, Z.

    2015-07-01

    The nuclear reactions analysis technique is mainly based on the relative method or the use of activation cross sections. In order to validate nuclear data for the calculated cross section evaluated from systematic studies, we used the neutron activation analysis technique (NAA) to determine the various constituent concentrations of certified samples for animal blood, milk and hay. In this analysis, the absolute method is used. The neutron activation technique involves irradiating the sample and subsequently performing a measurement of the activity of the sample. The fundamental equation of the activation connects several physical parameters including the cross section that is essential for the quantitative determination of the different elements composing the sample without resorting to the use of standard sample. Called the absolute method, it allows a measurement as accurate as the relative method. The results obtained by the absolute method showed that the values are as precise as the relative method requiring the use of standard sample for each element to be quantified.

  8. K+ nucleus reaction and total cross sections: New analysis of transmission experiments

    NASA Astrophysics Data System (ADS)

    Friedman, E.; Gal, A.; Weiss, R.; Aclander, J.; Alster, J.; Mardor, I.; Mardor, Y.; May-Tal Beck, S.; Piasetzky, E.; Yavin, A. I.; Bart, S.; Chrien, R. E.; Pile, P. H.; Sawafta, R.; Sutter, R. J.; Barakat, M.; Johnston, K.; Krauss, R. A.; Seyfarth, H.; Stearns, R. L.

    1997-03-01

    The attenuation cross sections measured in transmission experiments at the alternating-gradient synchrotron for K+ on 6Li, C, Si, and Ca at pL = 488, 531, 656, and 714 MeV/c are reanalyzed in order to derive total (σT) and reaction (σR) cross sections. The effect of plural (Molière) scattering is properly accounted for, leading to revised values of σT. We demonstrate the model dependence of these values, primarily due to the choice of K+ nuclear optical potential used to generate the necessary Coulomb-nuclear and nuclear elastic corrections. Values of σR are also derived, for the first time, from the same data and exhibit a remarkable degree of model independence. The derived values of σT and σR exceed those calculated by the first-order tρ optical potential for C, Si, and Ca, but not for 6Li, particularly at 656 and 714 MeV/c where the excess is 10-25%. Relative to 6Li, this excess is found to be nearly energy independent and its magnitude of 15-25% is not reproduced by any nuclear medium effect studied so far.

  9. Experimental and theoretical differential cross sections for the N(2D) + H2 reaction.

    PubMed

    Balucani, Nadia; Casavecchia, Piergiorgio; Bañares, Luis; Aoiz, F Javier; Gonzalez-Lezana, Tomás; Honvault, Pascal; Launay, Jean-Michel

    2006-01-19

    In this paper, we report a combined experimental and theoretical study on the dynamics of the N(2D) + H2 insertion reaction at a collision energy of 15.9 kJ mol(-1). Product angular and velocity distributions have been obtained in crossed beam experiments and simulated by using the results of quantum mechanical (QM) scattering calculations on the accurate ab initio potential energy surface (PES) of Pederson et al. (J. Chem. Phys. 1999, 110, 9091). Since the QM calculations indicate that there is a significant coupling between the product angular and translational energy distributions, such a coupling has been explicitly included in the simulation of the experimental results. The very good agreement between experiment and QM calculations sustains the accuracy of the NH2 ab initio ground state PES. We also take the opportunity to compare the accurate QM differential cross sections with those obtained by two approximate methods, namely, the widely used quasiclassical trajectory calculations and a rigorous statistical method based on the coupled-channel theory.

  10. The antigens contributing to the serological cross-reactions of Proteus antisera with Klebsiella representatives.

    PubMed

    Palusiak, Agata

    2015-03-01

    Proteus sp. and Klebsiella sp. mainly cause infections of the urinary and respiratory tracts or wounds in humans. The representatives of both genera produce virulence factors like lipopolysaccharide (LPS) or outer membrane proteins (OMPs) having much in common in the structures and/or functions. To check how far this similarity is revealed in the serological cross-reactivity, the bacterial masses of 24 tested Klebsiella sp. strains were tested in ELISA with polyclonal rabbit antisera specific to the representatives of 79 Proteus O serogroups. The strongest reacting systems were selected to Western blot, where the majority of Klebsiella masses reacted in a way characteristic for electrophoretic patterns of proteins. The strongest reactions were obtained for proteins of near 67 and 40 kDa and 12.5 kDa. Mass spectrometry analysis of the proteins samples of one Proteus sp. and one Klebsiella sp. strain showed the GroEL like protein of a sequence GI number 2980926 to be similar for both strains. In Western blot some Klebsiella sp. masses reacted similarly to the homologous Proteus LPSs. The LPS contribution in the observed reactions of the high molecular-mass LPS species was confirmed for Klebsiella oxytoca 0.062.

  11. Reversible hydrogen transfer reactions in thiyl radicals from cysteine and related molecules: absolute kinetics and equilibrium constants determined by pulse radiolysis.

    PubMed

    Nauser, Thomas; Koppenol, Willem H; Schöneich, Christian

    2012-05-10

    The mercapto group of cysteine (Cys) is a predominant target for oxidative modification, where one-electron oxidation leads to the formation of Cys thiyl radicals, CysS(•). These Cys thiyl radicals enter 1,2- and 1,3-hydrogen transfer reactions, for which rate constants are reported in this paper. The products of these 1,2- and 1,3-hydrogen transfer reactions are carbon-centered radicals at position C(3) (α-mercaptoalkyl radicals) and C(2) ((•)C(α) radicals) of Cys, respectively. Both processes can be monitored separately in Cys analogues such as cysteamine (CyaSH) and penicillamine (PenSH). At acidic pH, thiyl radicals from CyaSH permit only the 1,2-hydrogen transfer according to equilibrium 12, (+)H(3)NCH(2)CH(2)S(• )⇌ (+)H(3)NCH(2)(•)CH-SH, where rate constants for forward and reverse reaction are k(12) ≈ 10(5) s(-1) and k(-12) ≈ 1.5 × 10(5)s(-1), respectively. In contrast, only the 1,3-hydrogen transfer is possible for thiyl radicals from PenSH according to equilibrium 14, ((+)H(3)N/CO(2)H)C(α)-C(CH(3))(2)-S(•) ⇌ ((+)H(3)N/CO(2)H)(•)C(α)-C(CH(3))(2)-SH, where rate constants for the forward and the reverse reaction are k(14) = 8 × 10(4) s(-1) and k(-14) = 1.4 × 10(6) s(-1). The (•)C(α) radicals from PenSH and Cys have the additional opportunity for β-elimination of HS(•)/S(•-), which proceeds with k(39) ≈ (3 ± 1) × 10(4) s(-1) from (•)C(α) radicals from PenSH and k(-34) ≈ 5 × 10(3) s(-1) from (•)C(α) radicals from Cys. The rate constants quantified for the 1,2- and 1,3-hydrogen transfer reactions can be used as a basis to calculate similar processes for Cys thiyl radicals in proteins, where hydrogen transfer reactions, followed by the addition of oxygen, may lead to the irreversible modification of target proteins.

  12. Theoretical studies of intersystem crossing effects in the O(3P, 1D)+H2 reaction

    NASA Astrophysics Data System (ADS)

    Maiti, Biswajit; Schatz, George C.

    2003-12-01

    We have studied the influence of intersystem crossing on the reaction dynamics of the O+H2 reaction by performing trajectory surface hopping (TSH) calculations with accurate potential-energy surfaces and global spin-orbit coupling surfaces that we have generated using a four state model proposed by Hoffmann and Schatz. In the TSH calculations, we develop a new mixed representation that treats the reactant and product asymptotes in the adiabatic representation, and the singlet-triplet crossing region in the diabatic representation. This representation thus correctly describes O and OH fine structure-resolved cross sections, and it also treats intersystem crossing effects arising from the singlet-triplet crossing. Our calculations are based on the 1 3A' and 1 3A″ states of Walch and Kuppermann, and the 1 1A' state of Dobbyn and Knowles. The globally determined spin-orbit coupling matrix is derived from complete active space self-consistent field calculations using the two-electron Breit-Pauli Hamiltonian. Our dynamics calculations show that the triplet O+H2 cross section is modestly increased (up to 20% at collision energies >10 kcal/mol above the reactive threshold) by intersystem crossing, and product rotational excitation is also increased. In addition, we find that the OH spin-orbit distributions favor the 2Π3/2 state by a 2:1 ratio over 2Π1/2. This result is consistent with observations for O atom reactions with alkanes.

  13. Evaluation of cross-linked aggregates from purified Bacillus subtilis levansucrase mutants for transfructosylation reactions

    PubMed Central

    Ortiz-Soto, Maria Elena; Rudiño-Piñera, Enrique; Rodriguez-Alegria, Maria Elena; Munguia, Agustin Lopez

    2009-01-01

    Background Increasing attention has been focused on inulin and levan-type oligosaccharides, including fructosyl-xylosides and other fructosides due to their nutraceutical properties. Bacillus subtilis levansucrase (LS) catalyzes the synthesis of levan from sucrose, but it may also transfer the fructosyl moiety from sucrose to acceptor molecules included in the reaction medium. To study transfructosylation reactions with highly active and robust derivatives, cross-linked enzyme aggregates (CLEAs) were prepared from wild LS and two mutants. CLEAs combine the catalytic features of pure protein preparations in terms of specific activity with the mechanical behavior of industrial biocatalysts. Results Two types of procedures were used for the preparation of biocatalysts from purified wild type LS (WT LS) B. subtilis and the R360K and Y429N LS mutants: purified enzymes aggregated with glutaraldehyde (cross-linked enzyme aggregates: CLEAs), and covalently immobilized enzymes in Eupergit C®. The biocatalysts were characterized and used for fructoside synthesis using xylose as an acceptor model. CLEAs were able to catalyze the synthesis of fructosides as efficiently as soluble enzymes. The specific activity of CLEAs prepared from wild type LS (44.9 U/mg of CLEA), R360K (56.5 U/mg of CLEA) and Y429N (1.2 U/mg of CLEA) mutants were approximately 70, 40 and 200-fold higher, respectively, than equivalent Eupergit C® immobilized enzyme preparations (U/mg of Eupergit), where units refer to global LS activity. In contrast, the specific activity of the free enzymes was 160, 171.2 and 1.5 U/mg of protein, respectively. Moreover, all CLEAs had higher thermal stability than corresponding soluble enzymes. In the long term, the operational stability was affected by levan synthesis. Conclusion This is the first report of cross-linked transglycosidases aggregates. CLEAs prepared from purified LS and mutants have the highest specific activity for immobilized fructosyltransferases (FTFs

  14. Absolutely classical spin states

    NASA Astrophysics Data System (ADS)

    Bohnet-Waldraff, F.; Giraud, O.; Braun, D.

    2017-01-01

    We introduce the concept of "absolutely classical" spin states, in analogy to absolutely separable states of bipartite quantum systems. Absolutely classical states are states that remain classical (i.e., a convex sum of projectors on coherent states of a spin j ) under any unitary transformation applied to them. We investigate the maximal size of the ball of absolutely classical states centered on the maximally mixed state and derive a lower bound for its radius as a function of the total spin quantum number. We also obtain a numerical estimate of this maximal radius and compare it to the case of absolutely separable states.

  15. Cross section limits for the Cm248(Mg25,4n-5n)Hs268,269 reactions

    NASA Astrophysics Data System (ADS)

    Dvorak, J.; Brüchle, W.; Düllmann, Ch. E.; Dvorakova, Z.; Eberhardt, K.; Eichler, R.; Jäger, E.; Nagame, Y.; Qin, Z.; Schädel, M.; Schausten, B.; Schimpf, E.; Schuber, R.; Semchenkov, A.; Thörle, P.; Türler, A.; Wegrzecki, M.; Yakushev, A.

    2009-03-01

    We report on an attempt to produce and detect Hs268 and Hs269 in the nuclear fusion reaction Mg25+Cm248 using the gas phase chemistry apparatus COMPACT. No decay chains attributable to the decay of hassium isotopes were observed during the course of this experiment. From the nonobservation of Hs269 we derive a cross section limit of 0.4 pb (63% confidence limit) for the reaction Cm248(Mg25,4n)Hs269 at a center-of-target beam energy of 140 MeV. The evaluated cross section limit for the Cm248(Mg25,5n)Hs268 reaction depends on the assumed half-life of unknown Hs268. Current systematics of the half-lives for even-even Hs isotopes suggests a value of 0.5 s, resulting in a cross section limit of 1.3 pb.

  16. Theoretical cross section calculation of the 112Sn(α,γ)116Te reaction for the astrophysical P process

    NASA Astrophysics Data System (ADS)

    Yalçin, C.

    2017-02-01

    The theoretical cross section calculations for the astrophysical p process are very crucial due to the most of the related reactions are technically very difficult to measure at the laboratory. On the other hand, the theoretical cross sections are not in agreement with the experimental results, especially for the (α,γ) reactions. One of the main reason of the difference between theoretical and experimental cross section is description of the α+nucleus optical model potential. In order to understand current situation and improvement of the theoretical calculations, the 112Sn(α,γ)116Te reaction were investigated for different global optical model potentials at the astrophysically interested energies. Astrophysical S factors were also calculated and compared with experimental data available at EXFOR database.

  17. The First Measurement of Cross Section for the 7Be(n, α)4He Reaction at the Cosmological Energy

    NASA Astrophysics Data System (ADS)

    Takeda, Tomoya; Kawabata, Takahiro; Furono, Tatsuya; Ichikawa, Masaya; Iwasa, Naohito; Kanada-En'yo, Yoshiko; Koshikawa, Ami; Kubono, Shigeru; Miyawaki, Eisuke; Morimoto, Takahiro; Murata, Motoki; Nanamura, Takuya; Nishimura, Shunji; Shikata, Yuki; Takahashi, Yu; Tsumura, Miho; Watanabe, Ken

    The cross section for the 4He(α, n)7Be reaction was measured at low energies between Eα = 38.50 and 39.64 MeV to solve the cosmological lithium problem. On the basis of the detailed balance principle, the cross section for the 7Be(n, α)4He reaction was obtained at Ec.m. = 0.20-0.81 MeV close to the Big Bang nucleosynthesis (BBN) energy window for the first time. The obtained cross sections are significantly smaller than the theoretical estimation used in the BBN calculations. The present results suggest the 7Be(n, α)4He reaction rate is not large enough to solve the cosmological lithium problem.

  18. Diagnosis of human herpes virus 1 and 2 (HHV-1 and HHV-2): use of a synthetic standard curve for absolute quantification by real time polymerase chain reaction

    PubMed Central

    Lima, Lyana Rodrigues Pinto; da Silva, Amanda Perse; Schmidt-Chanasit, Jonas; de Paula, Vanessa Salete

    2017-01-01

    The use of quantitative real time polymerase chain reaction (qPCR) for herpesvirus detection has improved the sensitivity and specificity of diagnosis, as it is able to detect shedding episodes in the absence of clinical lesions and diagnose clinical specimens that have low viral loads. With an aim to improve the detection and quantification of herpesvirus by qPCR, synthetic standard curves for human herpesvirus 1 and 2 (HHV-1 and HHV-2) targeting regions gD and gG, respectively, were designed and evaluated. The results show that synthetic curves can replace DNA standard curves in diagnostic herpes qPCR. PMID:28225902

  19. Diagnosis of human herpes virus 1 and 2 (HHV-1 and HHV-2): use of a synthetic standard curve for absolute quantification by real time polymerase chain reaction.

    PubMed

    Lima, Lyana Rodrigues Pinto; Silva, Amanda Perse da; Schmidt-Chanasit, Jonas; Paula, Vanessa Salete de

    2017-02-16

    The use of quantitative real time polymerase chain reaction (qPCR) for herpesvirus detection has improved the sensitivity and specificity of diagnosis, as it is able to detect shedding episodes in the absence of clinical lesions and diagnose clinical specimens that have low viral loads. With an aim to improve the detection and quantification of herpesvirus by qPCR, synthetic standard curves for human herpesvirus 1 and 2 (HHV-1 and HHV-2) targeting regions gD and gG, respectively, were designed and evaluated. The results show that synthetic curves can replace DNA standard curves in diagnostic herpes qPCR.

  20. Diagnosis of human herpes virus 1 and 2 (HHV-1 and HHV-2): use of a synthetic standard curve for absolute quantification by real time polymerase chain reaction.

    PubMed

    Lima, Lyana Rodrigues Pinto; Silva, Amanda Perse da; Schmidt-Chanasit, Jonas; Paula, Vanessa Salete de

    2017-03-01

    The use of quantitative real time polymerase chain reaction (qPCR) for herpesvirus detection has improved the sensitivity and specificity of diagnosis, as it is able to detect shedding episodes in the absence of clinical lesions and diagnose clinical specimens that have low viral loads. With an aim to improve the detection and quantification of herpesvirus by qPCR, synthetic standard curves for human herpesvirus 1 and 2 (HHV-1 and HHV-2) targeting regions gD and gG, respectively, were designed and evaluated. The results show that synthetic curves can replace DNA standard curves in diagnostic herpes qPCR.

  1. Transition-metal-catalyzed Suzuki-Miyaura cross-coupling reactions: a remarkable advance from palladium to nickel catalysts.

    PubMed

    Han, Fu-She

    2013-06-21

    In the transition-metal-catalyzed cross-coupling reactions, the use of the first row transition metals as catalysts is much more appealing than the precious metals owing to the apparent advantages such as cheapness and earth abundance. Within the last two decades, particularly the last five years, explosive interests have been focused on the nickel-catalyzed Suzuki-Miyaura reactions. This has greatly advanced the chemistry of transition-metal-catalyzed cross-coupling reactions. Most notably, a broad range of aryl electrophiles such as phenols, aryl ethers, esters, carbonates, carbamates, sulfamates, phosphates, phosphoramides, phosphonium salts, and fluorides, as well as various alkyl electrophiles, which are conventionally challenging, by applying palladium catalysts can now be coupled efficiently with boron reagents in the presence of nickel catalysts. In this review, we would like to summarize the progress in this reaction.

  2. Quantum state-to-state cross sections for atom-diatom reactions: A Chebyshev real wave-packet approach

    SciTech Connect

    Lin Shiying; Guo Hua

    2006-08-15

    We describe the implementation of a quantum mechanical method to calculate state-to-state differential cross sections for atom-diatom reactive scattering processes. The key ingredient of this approach is the efficient and accurate propagation of a real scattering wave packet in the Chebyshev order domain, from which the S-matrix elements can be extracted. This approach is implemented with Open MP and applied to compute differential and integral cross sections for the direct H+H{sub 2} abstraction reaction and the more challenging N({sup 2}D)+H{sub 2} insertion reaction.

  3. Measurement and modeling of the cross sections for the reaction 230Th(3He,3n)230U

    NASA Astrophysics Data System (ADS)

    Morgenstern, A.; Abbas, K.; Simonelli, F.; Capote, R.; Sin, M.; Zielinska, B.; Bruchertseifer, F.; Apostolidis, C.

    2013-06-01

    230U and its daughter nuclide 226Th are promising therapeutic nuclides for application in targeted α therapy of cancer. We investigated the feasibility of producing 230U/226Th via irradiation of 230Th with 3He particles according to the reaction 230Th(3He,3n)230U. The experimental excitation function for this reaction is reported here. Cross sections were measured by using thin targets of 230Th prepared by electrodeposition, and 230U yields were analyzed by using α spectrometry. Beam intensities were obtained via monitor reactions on aluminum foils by using high-resolution γ spectrometry and International Atomic Energy Agency recommended cross sections. Incident particle energies were calculated by using the srim-2003 code. The experimental cross sections for the reaction 230Th(3He,3n)230U are in good agreement with model calculations by the empire-3 code once breakup and transfer reactions are properly considered in the incident channel. The obtained cross sections are too low to allow for the production of 230U/226Th in clinically relevant levels.

  4. Cross sections for the formation of 69Znm,g and 71Znm,g in neutron induced reactions near their thresholds: Effect of reaction channel on the isomeric cross-section ratio

    NASA Astrophysics Data System (ADS)

    Nesaraja, C. D.; Sudár, S.; Qaim, S. M.

    2003-08-01

    Excitation functions were measured for the reactions 72Ge(n,α)69Znm,g, 69Ga(n,p)69Znm,g, 70Zn(n,2n)69Znm,g, 74Ge(n,α)71Znm,g, and 71Ga(n,p)71Znm,g over the neutron energy range of 6.3 12.4 MeV. Quasimonoenergetic neutrons in this energy range were produced via the 2H(d,n)3He reaction using a deuterium gas target at the Jülich variable energy compact cyclotron. Use was made of the activation technique in combination with high-resolution HPGe-detector γ-ray spectroscopy. In a few cases low-level β-counting was also applied. In order to decrease the interfering activities in those cases, either radiochemical separations were performed or isotopically enriched targets were used. For most of the reactions, the present measurements provide the first consistent sets of data near their thresholds. From the available experimental data, isomeric cross-section ratios were determined for the isomeric pair 69Znm,g in (n,α), (n,p), and (n,2n) reactions, and for the pair 71Znm,g in (n,α) and (n,p) reactions. Nuclear model calculations using the code STAPRE, which employs the Hauser-Feshbach (statistical model) and exciton model (precompound effects) formalisms, were undertaken to describe the formation of both isomeric and ground states of the products. The calculational results on the total (n,α), (n,p), and (n,2n) cross sections agree fairly well with the experimental data. The experimental isomeric cross-section ratios, however, are reproduced only approximately by the calculation. For both the isomeric pairs investigated, the isomeric cross-section ratio in the (n,p) reaction is higher than in other reactions.

  5. Absolute quantification of the alleles in somatic point mutations by bioluminometric methods based on competitive polymerase chain reaction in the presence of a locked nucleic acid blocker or an allele-specific primer.

    PubMed

    Iliadi, Alexandra; Petropoulou, Margarita; Ioannou, Penelope C; Christopoulos, Theodore K; Anagnostopoulos, Nikolaos I; Kanavakis, Emmanuel; Traeger-Synodinos, Jan

    2011-09-01

    In somatic (acquired) point mutations, the challenge is to quantify minute amounts of the mutant allele in the presence of a large excess of the normal allele that differs only in a single base pair. We report two bioluminometric methods that enable absolute quantification of the alleles. The first method exploits the ability of a locked nucleic acid (LNA) oligonucleotide to bind to and inhibit effectively the polymerase chain reaction (PCR) amplification of the normal allele while the amplification of the mutant allele remains unaffected. The second method employs allele-specific PCR primers, thereby allowing the amplification of the corresponding allele only. DNA internal standards (competitors) are added to the PCR mixture to compensate for any sample-to-sample variation in the amplification efficiency. The amplification products from the two alleles and the internal standards are quantified by a microtiter well-based bioluminometric hybridization assay using the photoprotein aequorin as a reporter. The methods allow absolute quantification of less than 300 copies of the mutant allele even in samples containing less than 1% of the mutant allele.

  6. [Evaluation of Trichinella cross-reactions in the serological diagnosis of toxocariasis].

    PubMed

    Ozkoç, Soykan; Bayram Delibaş, Songül; Akısü, Ciler

    2012-07-01

    Toxocariasis caused by the nematode larvae of the Toxocara genus is a worldwide parasitic zoonosis. Diagnosis of human toxocariasis commonly relies on serological tests since the symptoms and signs of Toxocara infection are not pathognomonic. However Toxocara larval excretory-secretory (TES) antigen used in serological tests may exhibit low specificity due to the cross-reactions between related helminth infections such as ascariasis, anisakiasis, strongyloidosis and filariasis. In this study, we aimed to evaluate the possible effect of Trichinella cross-reactions in the serological diagnosis of toxocariasis by using ELISA and Western blot (WB) assay. For this purpose, sera samples of 209 trichinellosis patients who were definitely diagnosed during the Trichinella britovi outbreak occurred in İzmir in January 2004, were used. All the samples were screened initially by commercial Toxocara IgG-ELISA kit (Cypress Diagnostics, Belgium), then commercial Toxocara IgG-WB (Test-Line Diagnostics, Czech Republic) was applied to positive/ borderline-positive sera for confirmation. In our study, 94.3% (197/209) of the sera were found seronegative, while nine were positive and three were borderline. Thus a total of 12 (5.7%) sera were considered as seropositive by Toxocara IgG-ELISA. According to the results of WB, only one sera with the antigenic bands of 120 kDa, 32 kDa and 26 kDa in molecular weights was evaluated as positive. Four sera samples were found to be borderline. In three of border sera, the antigenic bands of 120 and 70 kDa in molecular weights were observed together and one sera had three (120, 70 and 32 kDa) different antigenic bands. Seven sera that had been found to be positive by ELISA was considered as negative by WB. While no bands was observed in four of these, three samples had an antigenic band of 120 kDa which had no diagnostic value when it was found alone. The results of our study showed that the crossreactivities between anti-Trichinella antibodies

  7. Revision of absolute configuration of enantiomeric (methylenecyclopropyl)carbinols obtained from (R)-(-)- and (S)-(+)-epichlorohydrin and methylenetriphenylphosphorane. Implications for reaction mechanism and improved synthesis of antiviral methylenecyclopropane analogues of nucleosides.

    PubMed

    Chen, Xinchao; Zemlicka, Jiri

    2002-01-11

    Absolute configurations of enantiomeric methylenecyclopropanecarbinols obtained by reaction of (R)- and (S)-epichlorohydrin 5 with methylenetriphenylphosphorane or resolution of the corresponding oxaphospholane 6 via a salt with L-(+)-tartaric acid and subsequent Wittig transformation with formaldehyde were revised. The (-)-oxaphospholane 6 has the S,S and (-)-(methylenecyclopropyl)carbinol (4) the R configuration. The configurations of (+)-6 and (+)-4 are then R,R and S, respectively. These assignments are in accord with an initial attack of phosphorane at the oxirane ring of epichlorohydrin. An improved preparation of key enantiomeric intermediates (R)-1a and (S)-1a, important for synthesis of antiviral purine methylenecyclopropane analogues of nucleosides, is also described.

  8. Absolute cross section for loss of supercoiled topology induced by 10 eV electrons in highly uniform /DNA/1,3-diaminopropane films deposited on highly ordered pyrolitic graphite

    NASA Astrophysics Data System (ADS)

    Boulanouar, Omar; Fromm, Michel; Bass, Andrew D.; Cloutier, Pierre; Sanche, Léon

    2013-08-01

    It was recently shown that the affinity of doubly charged, 1-3 diaminopropane (Dap2+) for DNA permits the growth on highly ordered pyrolitic graphite (HOPG) substrates, of plasmid DNA films, of known uniform thickness [O. Boulanouar, A. Khatyr, G. Herlem, F. Palmino, L. Sanche, and M. Fromm, J. Phys. Chem. C 115, 21291-21298 (2011)]. Post-irradiation analysis by electrophoresis of such targets confirms that electron impact at 10 eV produces a maximum in the yield of single strand breaks that can be associated with the formation of a DNA- transient anion. Using a well-adapted deterministic survival model for the variation of electron damage with fluence and film thickness, we have determined an absolute cross section for strand-break damage by 10 eV electrons and inelastic scattering attenuation length in DNA-Dap complex films.

  9. Absolute cross section for loss of supercoiled topology induced by 10 eV electrons in highly uniform /DNA/1,3-diaminopropane films deposited on highly ordered pyrolitic graphite.

    PubMed

    Boulanouar, Omar; Fromm, Michel; Bass, Andrew D; Cloutier, Pierre; Sanche, Léon

    2013-08-07

    It was recently shown that the affinity of doubly charged, 1-3 diaminopropane (Dap(2+)) for DNA permits the growth on highly ordered pyrolitic graphite (HOPG) substrates, of plasmid DNA films, of known uniform thickness [O. Boulanouar, A. Khatyr, G. Herlem, F. Palmino, L. Sanche, and M. Fromm, J. Phys. Chem. C 115, 21291-21298 (2011)]. Post-irradiation analysis by electrophoresis of such targets confirms that electron impact at 10 eV produces a maximum in the yield of single strand breaks that can be associated with the formation of a DNA(-) transient anion. Using a well-adapted deterministic survival model for the variation of electron damage with fluence and film thickness, we have determined an absolute cross section for strand-break damage by 10 eV electrons and inelastic scattering attenuation length in DNA-Dap complex films.

  10. Absolute cross section for loss of supercoiled topology induced by 10 eV electrons in highly uniform /DNA/1,3-diaminopropane films deposited on highly ordered pyrolitic graphite

    SciTech Connect

    Boulanouar, Omar; Fromm, Michel; Bass, Andrew D.; Cloutier, Pierre; Sanche, Léon

    2013-08-07

    It was recently shown that the affinity of doubly charged, 1-3 diaminopropane (Dap{sup 2+}) for DNA permits the growth on highly ordered pyrolitic graphite (HOPG) substrates, of plasmid DNA films, of known uniform thickness [O. Boulanouar, A. Khatyr, G. Herlem, F. Palmino, L. Sanche, and M. Fromm, J. Phys. Chem. C 115, 21291–21298 (2011)]. Post-irradiation analysis by electrophoresis of such targets confirms that electron impact at 10 eV produces a maximum in the yield of single strand breaks that can be associated with the formation of a DNA{sup −} transient anion. Using a well-adapted deterministic survival model for the variation of electron damage with fluence and film thickness, we have determined an absolute cross section for strand-break damage by 10 eV electrons and inelastic scattering attenuation length in DNA-Dap complex films.

  11. Absolute nuclear material assay

    DOEpatents

    Prasad, Manoj K [Pleasanton, CA; Snyderman, Neal J [Berkeley, CA; Rowland, Mark S [Alamo, CA

    2012-05-15

    A method of absolute nuclear material assay of an unknown source comprising counting neutrons from the unknown source and providing an absolute nuclear material assay utilizing a model to optimally compare to the measured count distributions. In one embodiment, the step of providing an absolute nuclear material assay comprises utilizing a random sampling of analytically computed fission chain distributions to generate a continuous time-evolving sequence of event-counts by spreading the fission chain distribution in time.

  12. Absolute nuclear material assay

    DOEpatents

    Prasad, Manoj K.; Snyderman, Neal J.; Rowland, Mark S.

    2010-07-13

    A method of absolute nuclear material assay of an unknown source comprising counting neutrons from the unknown source and providing an absolute nuclear material assay utilizing a model to optimally compare to the measured count distributions. In one embodiment, the step of providing an absolute nuclear material assay comprises utilizing a random sampling of analytically computed fission chain distributions to generate a continuous time-evolving sequence of event-counts by spreading the fission chain distribution in time.

  13. Modeled Neutron Induced Nuclear Reaction Cross Sections for Radiochemsitry in the region of Thulium, Lutetium, and Tantalum I. Results of Built in Spherical Symmetry in a Deformed Region

    SciTech Connect

    Hoffman, R. D.

    2013-09-06

    We have developed a set of modeled nuclear reaction cross sections for use in radiochemical diagnostics. Systematics for the input parameters required by the Hauser-Feshbach statistical model were developed and used to calculate neutron induced nuclear reaction cross sections for targets ranging from Terbium (Z = 65) to Rhenium (Z = 75). Of particular interest are the cross sections on Tm, Lu, and Ta including reactions on isomeric targets.

  14. Pentafluorophenyl imidato palladium(II) complexes: catalysts for Suzuki cross-coupling reactions.

    PubMed

    Ruiz, José; Vicente, Consuelo; Cutillas, Natalia; Pérez, José

    2005-06-07

    Novel N-bonded imidato complexes of general formula [Pd(N-N)(C6F5)(imidate)](imidate = maleimidate, succinimidate or phthalimidate; N-N = 2,2'-bipyridine (bipy), 4,4'-dimethyl-2,2'-bipyridine (Me2bipy) or N,N,N',N'-tetramethylethylenediamine (tmeda)), [NBu4][Pd(C6F5)(H2O)(succinimidate)2] and [NBu4][Pd(C6F5)(L)(succinimidate)2](L = PPh3 or t-BuNC) have been synthesised. These complexes are air-, light- and moisture-stable. The crystal structures of [Pd(tmeda)(C6F5)(maleimidate)].H2O.0.5CHCl3, [NBu4][Pd(C6F5)(H2O)(succinimidate)2].H2O and [NBu4][Pd(C6F5)(t-BuNC)(succinimidate)2].2H2O have been determined by X-ray diffraction. Many of these new complexes are shown to be active phosphine-free palladium catalysts/precatalysts for the Suzuki cross-coupling reactions of aryl bromides and aryl chlorides with phenylboronic acid.

  15. Phenylenevinylene oligomers by Mizoroki-Heck cross coupling reaction. Structural and optoelectronic characterization

    NASA Astrophysics Data System (ADS)

    Estrada, Sandra E.; Ochoa-Puentes, Cristian; Sierra, Cesar A.

    2017-04-01

    In order to study the effect of the molecular structure on the optical properties of totally trans-trans phenylenevinylene oligomers (OPVs), sixteen 1,4-distyrylbenzene derivatives (1a-i and 2a-g) functionalized with different electron-donating (ED) and electron-withdrawing (EW) groups were synthesized by the Mizoroki-Heck cross coupling reaction in moderate to good yields (40-95%). The implemented methodology, with a small modification previously reported by our group, allows obtaining the desired vinyl configuration as well as one novel OPV compound (1h). After structural characterization by several techniques (e.g. FTIR, 1H, 13C and Solid-State NMR), particular emphasis was placed upon the investigation of their optical properties by UV-vis and fluorescence spectroscopies. The results showed that, with only one exception, the ED and EW groups at the ends of OPV systems lead to a bathochromic shift. This effect is intensified with the introduction of methoxy groups on the central ring. Consistent with these, the HOMO-LUMO gaps (ΔE) decreases as the strength of ED and EW substituents increases. The ED and EW substituents also lead to a decrease in the Φf values. This contribution in the area of organic electronics can be used as a reference to better select the most appropriate technological application for each OPV and this can be extrapolated to their respective structurally analogous segmented polymer.

  16. Quantum state-resolved differential cross sections for complex-forming chemical reactions: Asymmetry is the rule, symmetry the exception

    SciTech Connect

    Larrégaray, Pascal Bonnet, Laurent

    2015-10-14

    We argue that statistical theories are generally unable to accurately predict state-resolved differential cross sections for triatomic bimolecular reactions studied in beam experiments, even in the idealized limit where the dynamics are fully chaotic. The basic reason is that quenching of interferences between partial waves is less efficient than intuitively expected, especially around the poles.

  17. Palladium-catalyzed cross-coupling reactions of arylsiloxanes with aryl halides: application to solid-supported organic synthesis.

    PubMed

    Traficante, Carla I; Delpiccolo, Carina M L; Mata, Ernesto G

    2014-05-12

    The solid-phase version of the Pd-catalyzed Hiyama reaction between a variety of aryltriethoxysilanes and immobilized aryl halides was developed. Smooth cross-coupling was achieved to afford the corresponding biaryl products in moderate to excellent yields. The described protocol would be particularly useful for the construction of 4'-substituted 1,1'-biphenyl derivatives.

  18. Revised Calculations of the Production Rates for Co Isotopes in Meteorites Using New Cross Sections for Neutron-induced Reactions

    NASA Technical Reports Server (NTRS)

    Sisterson, J. M.; Brooks, F. D.; Buffler, A.; Allie, M. S.; Herbert, M. S.; Nchodu, M. R.; Makupula, S.; Ullmann, J.; Reedy, R. C.; Jones, D. T. L.

    2002-01-01

    New cross section measurements for reactions induced by neutrons with energies greater than 70 MeV are used to calculate the production rates for cobalt isotopes in meteorites and these new calculations are compared to previous estimates. Additional information is contained in the original extended abstract.

  19. Total reaction cross sections for 20-30 MeV pions and the anomaly of pionic atoms

    NASA Astrophysics Data System (ADS)

    Friedman, E.; Goldring, A.; Johnson, R. R.; Meirav, O.; Vetterli, D.; Weber, P.; Altman, A.

    1991-03-01

    Total reaction cross sections of 20 MeV π- and 30 MeV π+ and π- have been measured for carbon and nickel targets. The experimental results are in very good agreement with calculations based on commonly accepted pion-nucleus potentials but disagree with calculations based on the potentials associated with the so-called pionic atom anomaly.

  20. Cross-reactions of sera from Toxocara canis-infected mice with Toxascaris leonina and Ascaris suum antigens.

    PubMed

    Cuéllar, C; Fenoy, S; Guillén, J L

    1992-05-01

    The ELISA method using larval excretory-secretory (E/S) products and homogenized Toxocara canis, Toxascaris leonina and Ascaris suum adult worm extract were used to determine possible cross-reactions in BALB/c and C57BL/10 mice, inoculated with embryonated eggs or adult worm extract of T. canis in single and multiple doses. When we used sera of mice infected with embryonated eggs of T. canis against different heterologous antigens, we observed no cross-reactions in BALB/c mice against A. suum E/S and adult worm extract antigens with a single dose. In multiple doses this was absent too against T. leonina adult worm extract in BALB/c mice, and in both strains against A. suum E/S and adult worm extract. In BALB/c mice inoculated with adult worm extract of T. canis we did not observe cross-reactions with A. suum E/S antigen with both inoculation doses. In the remainder of the experiments, we observed cross-reactions of different intensities.

  1. Visible-Light-Catalyzed Direct Benzylic C(sp(3))-H Amination Reaction by Cross-Dehydrogenative Coupling.

    PubMed

    Pandey, Ganesh; Laha, Ramkrishna

    2015-12-01

    A conceptually new and synthetically valuable cross-dehydrogenative benzylic C(sp(3))-H amination reaction is reported by visible-light photoredox catalysis. This protocol employs DCA (9,10-dicyanoanthracene) as a visible-light-absorbing photoredox catalyst and an amide as the nitrogen source without the need of either a transition metal or an external oxidant.

  2. Absolute Differential Cross-Sections for Elastic PION(+/-)/PROTON Scattering at 30 Less than or Equal to T(pion) Less than or Equal to 140 Mev

    NASA Astrophysics Data System (ADS)

    Brack, Jeffrey Thomas

    Differential cross sections for elastic pi^{+/-}p scattering have been measured at TRIUMF for 10 incident pion energies in three separate experiments at 66.8 <= T_{pi} <= 138.8 MeV, Tpi = 66.8 MeV (pi^+p only), and 30 <= T_{pi} <= 66.8 MeV, using three independent techniques. Typical statistical accuracies are 1-3% and normalization uncertainties are 1.2-3.0%. Extensive experimental checks were employed to minimize systematic errors. Incident pion beam rates were varied by a factor of 5, target thickness was varied by a factor of 10, different target compositions were used (CH_2 and CH_{1.1 }), and derangements of the detector geometry tested the reproducibility of the cross sections under widely varying conditions. Three separate Monte Carlo routines were used. All measurements used solid targets. Thin scintillators and time-of-flight (TOF) techniques were used to count and identify particles incident on the targets and to detect the scattered pions. Recoil protons were detected in coincidence with the scattered pions in two of the three experiments. At the upper range of incident pion energies (66.8 to 138 MeV), a two-arm coincidence technique was used in which proton detection was similar to pion detection (TOF). At the three lowest incident pion energies, an active target technique was used in which the recoil particles were detected by means of the light generated within the CH_ {1.1} scintillator-target. These are the only elastic pip coincidence measurements by any experimental group below 140 MeV incident pion energy. At 66.8 MeV, a third technique was used in which no recoil particles were detected. At incident pion energies of 100 MeV and above, all pi^{+/-}p results from these three measurements are in good agreement with previous measurements, as are the pi ^-p results at all energies. However, while the pi^{+/-}p results of these three experiments are consistent within experimental error at the overlapping energy of 66.8 MeV, they are 10-25% lower than

  3. Revisiting the Radical Initiation Mechanism of the Diamine-Promoted Transition-Metal-Free Cross-Coupling Reaction.

    PubMed

    Zhang, Li; Yang, Huan; Jiao, Lei

    2016-06-08

    Radical chain reactions leading to C-C bond formation are widely used in organic synthesis, and initiation of the radical chain process usually requires thermolabile radical initiators. Recent studies on transition-metal-free cross-coupling reactions between aryl halides and arenes have demonstrated an unprecedented initiation system for radical chain reactions, where the combination of simple organic additives and a base was used in place of conventional radical initiators. Among them, the combination of N,N'-dimethylethylenediamine (DMEDA) and t-BuOK is one of the most efficient and representative reaction systems, and the radical initiation mechanism of this system has attracted considerable research interest. In this study, through the combination of kinetic studies, deuterium labeling experiments, and DFT calculations, the radical initiation mechanism of the diamine-promoted cross-coupling reaction was carefully reinvestigated. In light of the present study, a mechanistic network of radical initiation in the DMEDA/t-BuOK system was revealed, which differs dramatically from the previously realized single radical initiation pathway. In this mechanism, the diamine acts as a hydrogen atom donor and plays a dual role as both "radical amplifier" and "radical regulator" to initiate the radical chain process as well as to control the concentration of reactive radical species. This represents a rare example of a structurally simple molecule playing such a subtle role in the radical chain reaction system. The present study sheds some light on the novel radical initiation mode in transition-metal-free cross-coupling reactions following a base-promoted homolytic aromatic substitution (BHAS) mechanism, and may also help to understand the mechanism of relevant reactions.

  4. Nucleon Density Distribution of the Proton Drip-Line Nucleus 12N Studied via Reaction Cross Sections

    NASA Astrophysics Data System (ADS)

    Fukuda, Mitsunori; Morita, Yusuke; Nishimura, Daiki; Takechi, Maya; Iwamoto, Kodai; Wakabayashi, Masaru; Kamisho, Yasuto; Ohno, Junichi; Tanaka, Masaomi; Kanbe, Ryosuke; Yamaoka, Shintaro; Mihara, Mototsugu; Matsuta, Kensaku; Yoshinaga, Kenta; Zhu, Ifan; Khono, Junpei; Yamaki, Sayaka; Suzuki, Takeshi; Yamaguchi, Takayuki; Suzuki, Shinji; Nagashima, Masayuki; Abe, Kohsuke; Tashiro, Keisuke; Honma, Akira; Ohtsubo, Takashi; Izumikawa, Takuji; Sato, Shinji; Fukuda, Shigekazu; Kitagawa, Atsushi

    Reaction cross sections for the proton drip-line nucleus 12N on Be, C, and Al targets have been measured at intermediate energies from 60A to 200A MeV. The results are compared with the systematics for stable nuclei and also with the experimental reaction cross section data for 12C to show 5-20% enhancement of the present 12N data. The nucleon density distribution of 12N has been extracted through the χ2-fitting procedure, which is consistent with a single particle nature of the loosely-bound valence proton in the p orbital though the error of the density is still large. The large one-proton removal cross sections observed at the same time also supports the long proton tail in the density distribution.

  5. (65)Cu isomeric cross sections for (n,α) reaction using approximately 14MeV neutrons.

    PubMed

    Durusoy, Ayşe; Reyhancan, Iskender Atilla; Akçalı, Özgür

    2015-05-01

    In this paper, activation cross-section measurements for the (65)Cu(n,α)(62m)Co (T1/2=13.86min.) reaction at six different neutron energies ranging from 13.6 and 14.9MeV are presented. The fast neutrons were produced via (3)H(d, n)(4)He reactions from an SAMES T-400 neutron generator. An activation technique was used to measure induced gamma activities. A high-resolution gamma-ray spectrometer with a high-purity germanium (HpGe) detector was used to acquire the data. The measured cross section data were corrected for gamma-ray attenuations, pulse pile-up effects, dead time, variations in neutron flux, and contributions from scattered low-energy neutrons. The measured cross sections were compared with statistical model calculations (TALYS 1.6 code), the experimental data available in the literature and the data obtained from TENDL.

  6. Origin of chemoselectivity in N-heterocyclic carbene catalyzed cross-benzoin reactions: DFT and experimental insights.

    PubMed

    Langdon, Steven M; Legault, Claude Y; Gravel, Michel

    2015-04-03

    An exploration into the origin of chemoselectivity in the NHC-catalyzed cross-benzoin reaction reveals several key factors governing the preferred pathway. In the first computational study to explore the cross-benzoin reaction, a piperidinone-derived triazolium catalyst produces kinetically controlled chemoselectivity. This is supported by (1)H NMR studies as well as a series of crossover experiments. Major contributors include the rapid and preferential formation of an NHC adduct with alkyl aldehydes, a rate-limiting carbon-carbon bond formation step benefiting from a stabilizing π-stacking/π-cation interaction, and steric penalties paid by competing pathways. The energy profile for the analogous pyrrolidinone-derived catalyst was found to be remarkably similar, despite experimental data showing that it is less chemoselective. The chemoselectivity could not be improved through kinetic control; however, equilibrating conditions show substantial preference for the same cross-benzoin product kinetically favored by the piperidinone-derived catalyst.

  7. Activation cross sections of deuteron induced reactions on silver in the 33-50MeV energy range.

    PubMed

    Ditrói, F; Tárkányi, F; Takács, S; Hermanne, A; Ignatyuk, A V

    2017-02-01

    Excitation functions were measured for the (nat)Ag(d,x)(105,104)Cd, (110)(m,108m,106m,105g,104g)Ag and (101)Pd, (105,101m)Rh reactions over the energy range 33-50MeV by using the stacked foil activation technique and subsequent high-resolution gamma-spectrometry. We present the first experimental cross section data above 40MeV for all of these reactions and the first experimental cross section data for (nat)Ag(d,x)(108m,104g)Ag and (105,103)Rh. The experimental data are compared with results of the model calculations performed with the ALICE-D, EMPIRE-D theoretical nuclear reaction model codes and with the TALYS code results as available in the TENDL-2014 and -2015 on-line libraries.

  8. Production cross section of At radionuclides from 7Li+natPb and 9Be+natTl reactions

    NASA Astrophysics Data System (ADS)

    Maiti, Moumita; Lahiri, Susanta

    2011-12-01

    Earlier we reported theoretical studies on the probable production of astatine radionuclides from 6,7Li- and 9Be-induced reactions on natural lead and thallium targets, respectively. The production of astatine radionuclides were investigated experimentally with two heavy-ion-induced reactions: 9Be + natTl and 7Li + natPb. Formation cross sections of the evaporation residues, 207,208,209,210At, produced in the (HI,xn) channel, were measured by the stacked-foil technique followed by off-line γ spectrometry at low incident energies (<50 MeV). Measured excitation functions were interpreted in terms of a compound nuclear reaction mechanism using Weisskopf-Ewing and Hauser-Feshbach models. Measured cross-section values are lower than the respective theoretical predictions.

  9. Impact of copper-catalyzed cross-coupling reactions in natural product synthesis: the emergence of new retrosynthetic paradigms.

    PubMed

    Evano, Gwilherm; Theunissen, Cédric; Pradal, Alexandre

    2013-12-01

    Copper-catalyzed Ullmann-Goldberg-type cross-coupling reactions have undergone nothing short of a renaissance over the last decade and an impressive number of procedures are now available for the formation of C-N, C-O and C-S bonds with remarkable efficiencies and surgical precision. These reactions have been recently integrated into natural product synthesis, which clearly resulted in the emergence of new retrosynthetic paradigms and bond disconnections. The impact of copper-catalyzed cross-coupling reactions in natural product synthesis will be overviewed in this article with an emphasis on the evolution of strategies due to copper catalysis, mostly by comparison with alternative tactics and their relative efficiencies.

  10. Measurement of the {sup 241}Am(n,2n) reaction cross section using the activation method

    SciTech Connect

    Perdikakis, G.; Papadopoulos, C.T.; Vlastou, R.; Kokkoris, M.; Galanopoulos, S.; Patronis, N.; Lagoyannis, A.; Spyrou, A.; Zarkadas, Ch.; Kalyva, G.; Kossionides, S.; Karamanis, D.

    2006-06-15

    In the context of the n{sub T}OF Collaboration, the measurement of the cross section of the reaction {sup 241}Am(n,2n){sup 240}Am, has been performed, for the first time at neutron energies from 8.8 to 11.4 MeV, by the activation method, relative to the {sup 27}Al(n,a){sup 24}Na reaction reference cross section. The monoenergetic neutron beam was produced at the 5.5 MV TANDEM accelerator of NCSR ''Demokritos,'' by means of the {sup 2}H(d,n){sup 3}He reaction, using a deuterium filled gas cell. The radioactive target consisted of a 37 GBq {sup 241}Am source enclosed in a Pb container. After the end of the irradiation, the activity induced by the neutron beam at the target and reference, was measured off-line by a 56% relative efficiency, HPGe detector.

  11. Calculation and analysis of cross-sections for p+184W reactions up to 200 MeV

    NASA Astrophysics Data System (ADS)

    Sun, Jian-Ping; Zhang, Zheng-Jun; Han, Yin-Lu

    2015-08-01

    A set of optimal proton optical potential parameters for p+ 184W reactions are obtained at incident proton energy up to 250 MeV. Based on these parameters, the reaction cross-sections, elastic scattering angular distributions, energy spectra and double differential cross sections of proton-induced reactions on 184W are calculated and analyzed by using theoretical models which integrate the optical model, distorted Born wave approximation theory, intra-nuclear cascade model, exciton model, Hauser-Feshbach theory and evaporation model. The calculated results are compared with existing experimental data and good agreement is achieved. Supported by National Basic Research Program of China, Technology Research of Accelerator Driven Sub-critical System for Nuclear Waste Transmutation (2007CB209903) and Strategic Priority Research Program of Chinese Academy of Sciences, Thorium Molten Salt Reactor Nuclear Energy System (XDA02010100)

  12. 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.

  13. Combined cross-linked enzyme aggregates of horseradish peroxidase and glucose oxidase for catalyzing cascade chemical reactions.

    PubMed

    Nguyen, Le Truc; Yang, Kun-Lin

    2017-05-01

    Cascade reactions involved unstable intermediates are often encountered in biological systems. In this study, we developed combined cross-linked enzyme aggregates (combi-CLEA) to catalyze a cascade reaction which involves unstable hydrogen peroxide as an intermediate. The combi-CLEA contains two enzymes̶ glucose oxidase (GOx) and horseradish peroxidase (HRP) which are cross-linked together as solid aggregates. The first enzyme GOx catalyzes the oxidation of glucose and produces hydrogen peroxide, which is used by the second enzyme HRP to oxidize 2,2'-azino-bis(3-ethylbenzothiazoline-6-sulphonic acid) (ABTS). The apparent reaction rate of the cascade reaction reaches 10.5±0.5μM/min when the enzyme ratio is 150:1 (GOx:HRP). Interestingly, even in the presence of catalase, an enzyme that quickly decomposes hydrogen peroxide, the reaction rate only decreases by 18.7% to 8.3±0.3μM/min. This result suggests that the intermediate hydrogen peroxide is not decomposed by catalase due to a short diffusion distance between GOx and HRP in the combi-CLEA. Scanning electron microscopy images suggest that combi-CLEA particles are hollow spheres and have an average diameter around 250nm. Because of their size, combi-CLEA particles can be entrapped inside a nylon membrane for detecting glucose by using the cascade reaction.

  14. The Breakup Cross Section of the D+D Reaction at 6.94 MeV

    NASA Astrophysics Data System (ADS)

    Richard, A. L.; Brune, C. R.; Ingram, D. C.; Dhakal, S.; Karki, A.; Massey, T. N.; O'Donnell, J. E.; Parker, C. E.

    2016-03-01

    The D+D reactions are well known and widely used for a variety of purposes, mainly because of the use of the D(d, n)3He reaction as a mono-energetic neutron source. The least studied of the D+D reactions is the D(d, n)pD reaction known as the deuteron breakup reaction, which produces a continuum of neutrons at energies below the monoenergetic peak. The neutron energy distribution as a function of angle for the cross section, {{{d^2}σ } over {dΩ dE}}, of the D(d,n)pD reaction has been measured using a 6.94-MeV pulsed deuteron beam incident upon a D2 gas target. The time-of-flight technique was used to determine the energy of the neutrons detected in an array of two lithium glass scintillators and one NE-213 scintillator. The breakup cross section was determined as low as 225-keV neutron energy in the lithium glass detectors.

  15. Crossed-beams and theoretical studies of the O((3)P) + H(2)O --> HO(2) + H reaction excitation function.

    PubMed

    Brunsvold, Amy L; Zhang, Jianming; Upadhyaya, Hari P; Minton, Timothy K; Camden, Jon P; Paci, Jeffrey T; Schatz, George C

    2007-11-01

    Hyperthermal collisions of ground-state atomic oxygen with H2O have been investigated, with special attention paid to the H-atom elimination reaction, O((3)P) + H(2)O(X (1)A(1)) --> HO(2)((2)A') + H((2)S). This reaction was observed in a crossed-beams experiment, and the relative excitation function in the region around its energy threshold (50-80 kcal mol(-1)) was measured. Direct dynamics calculations were also performed at two levels of theory, B3LYP/6-31G(d,p) and MP2/6-31G(d,p). The shape of the B3LYP excitation function closely matches that of the experiment. The calculations provided a detailed description of the dynamics and revealed a striking dependence of the reaction mechanism on collision energy, where the cross section rises from a threshold near 60 kcal mol(-1) to a peak at approximately 115 kcal mol(-1) and then decreases at higher energies as secondary dissociation of the internally excited HO(2) product becomes dominant. The calculations show that the cross section for H-atom elimination (O + H(2)O --> HO(2) + H) is about 10-25% that of the H-atom abstraction (O + H(2)O --> OH + OH) cross section for collision energies in the 70-160 kcal mol(-1) range.

  16. Activation evaluation and isotopic effects in the (n, p) reaction cross section on A-180 target nuclei

    SciTech Connect

    Avrigeanu, M.; Forrest, R. A.; Roman, F. L.; Avrigeanu, V.

    2006-07-01

    The fast-neutron nuclear data for the stable isotopes of tungsten, tantalum and hafnium, which are important in nuclear technology applications, have been consistently analyzed by means of the nuclear model computer codes TALYS, EMPIRE-II and STAPRE-H. The latter code uses a unique parameter set. The long-lived Hf isomers, which could be produced after a few reactions on W and Ta in the first-wall material of fusion power plants, need special consideration. The analysis, making use of global as well as local parameters within different model assumptions, aims to increase the predictive power of the models, which is of interest to basic as well as applied questions. This work suggests a physical reason for some of the discrepancies between experimental and calculated cross sections for (n, p) and (n, {alpha}) reactions on {sup 181}Ta. Thus, the rather similar Q-values for the (n, p) reaction on the {sup 179}Hf, {sup 181}Ta, and {sup 183}W odd-A target nuclei, also with similar asymmetry-parameter values, support the comparable cross sections which are predicted by all three computer code calculations at variance with the lower measured cross sections of the {sup 181}Ta(n, p) {sup 181}Hf reaction. (authors)

  17. Nonsymmetrical 3,4-dithienylmaleimides by cross-coupling reactions with indium organometallics: synthesis and photochemical studies.

    PubMed

    Mosquera, Angeles; Férnandez, M Isabel; Canle Lopez, Moisés; Pérez Sestelo, José; Sarandeses, Luis A

    2014-10-27

    The synthesis and photochemical study of novel nonsymmetrical 1,2-dithienylethenes (DTEs) with a maleimide bridge have been carried out. The synthetic approach to the DTEs was based on successive selective palladium-catalyzed cross-coupling reactions of 5-susbtituted-2-methyl-3-thiophenyl indium reagents with 3,4-dichloromaleimides. The required organoindium reagents were prepared from 2-methyl-3,5-dibromothiophene by a selective (C-5) coupling reaction with triorganoindium compounds (R3 In) and subsequent metal-halogen exchange. The coupling reactions usually gave good yields and have a high atom economy with substoichiometric amounts of R3 In. The results of photochemical studies show that these novel dithienylmaleimides undergo a photocyclization reaction upon irradiation in the UV region and a photocycloreversion after excitation in the visible region, thus they can be used as photochemical switches. ON-OFF operations can be repeated in successive cycles without appreciable loss of effectiveness in the process.

  18. Crystalline hybrid solid materials of palladium and decamethylcucurbit[5]uril as recoverable precatalysts for Heck cross-coupling reactions.

    PubMed

    Li, Hongfang; Lü, Jian; Lin, Jingxiang; Huang, Yuanbiao; Cao, Minna; Cao, Rong

    2013-11-11

    A series of MPdMe10 CB[5] (M=Li, Na, K, Rb, and Cs; Me10 CB[5]=decamethylcucurbit[5]uril) hybrid solid materials have been successfully synthesized for the first time through a simple diffusion method. These as-prepared hybrid solids have been applied as phosphine-free precatalysts for Heck cross-coupling reactions with excellent catalytic performance and good recyclability. In the processes of the catalytic reactions, the activated Pd(II) species were released from the crystalline hybrid precatalysts and transformed into catalytically active Pd nanoparticles, which have been demonstrated as key to carry on the catalytic reactions for the recoverable precatalysts MPdMe10 CB[5] (M=K, Rb, and Cs). It has also been rationalized that the introduction of different alkali metals afforded crystalline hybrid precatalysts with different crystal structures, which are responsible for their diversified stability and reusability presented in Heck reactions.

  19. Chemical destruction of rotationally "hot" HeH+: Quantum cross sections and mechanisms of its reaction with H

    NASA Astrophysics Data System (ADS)

    Bovino, S.; Gianturco, F. A.; Tacconi, M.

    2012-12-01

    The present work focuses on the reaction of a molecule of astrophysical interest, the HeH+, with the most abundant species in the Universe: the H atom, and in situations where the partner ion is internally excited into some of its lower rotational states. This strongly exothermic reaction: HeH++H→H2++He, leads to the destruction of HeH+ and we study this outcome by using an accurate reactive potential energy surface (RPES) and by analysing the behaviour of the helicity within the Negative Imaginary Potential (NIP) approach. Different, possible molecular mechanisms connected with the role of rotationally "hot" HeH+ partners are thus suggested from the behaviour of cross sections for different helicity values and the effects on the overall destruction efficiency are also discussed, both for reaction temperatures in the range of Early Universe processes and for colder reaction conditions in ion traps (at mK temperatures).

  20. Oxidative photoredox-catalytic activation of aliphatic nucleophiles for C(sp(3))-C(sp(2)) cross-coupling reactions.

    PubMed

    Jahn, Emanuela; Jahn, Ullrich

    2014-12-01

    In the light you will find the road (Led Zeppelin): Visible-light photoredox catalysis leads the way in overcoming the reactivity limitations of alkyl nucleophiles in cross-coupling reactions. Iridium-triggered oxidative photoredox activation of alkyltrifluoroborate or carboxylic acids affords alkyl radicals, which undergo nickel-catalyzed cross-coupling reactions.

  1. Astrophysical reaction rates for {sup 58,60}Ni(n,{gamma}) from new neutron capture cross section measurements

    SciTech Connect

    Guber, K. H.; Derrien, H.; Leal, L. C.; Arbanas, G.; Wiarda, D.; Koehler, P. E.; Harvey, J. A.

    2010-11-15

    New neutron capture cross sections of {sup 58,60}Ni were measured in the energy range from 100 eV to 600 keV using the Oak Ridge Electron Linear Accelerator. The combination of these new neutron capture data with previous transmission data allowed a resonance analysis up to 900 keV using R-matrix theory. The theoretically determined direct capture cross sections were included in the analyses. From these resonance parameters and the direct capture contribution, new (n,{gamma}) astrophysical reaction rates were determined over the entire energy range needed by the latest stellar models describing the so-called weak s process.

  2. Ionic Conduction in Lithium Ion Battery Composite Electrode Governs Cross-sectional Reaction Distribution

    NASA Astrophysics Data System (ADS)

    Orikasa, Yuki; Gogyo, Yuma; Yamashige, Hisao; Katayama, Misaki; Chen, Kezheng; Mori, Takuya; Yamamoto, Kentaro; Masese, Titus; Inada, Yasuhiro; Ohta, Toshiaki; Siroma, Zyun; Kato, Shiro; Kinoshita, Hajime; Arai, Hajime; Ogumi, Zempachi; Uchimoto, Yoshiharu

    2016-05-01

    Composite electrodes containing active materials, carbon and binder are widely used in lithium-ion batteries. Since the electrode reaction occurs preferentially in regions with lower resistance, reaction distribution can be happened within composite electrodes. We investigate the relationship between the reaction distribution with depth direction and electronic/ionic conductivity in composite electrodes with changing electrode porosities. Two dimensional X-ray absorption spectroscopy shows that the reaction distribution is happened in lower porosity electrodes. Our developed 6-probe method can measure electronic/ionic conductivity in composite electrodes. The ionic conductivity is decreased for lower porosity electrodes, which governs the reaction distribution of composite electrodes and their performances.

  3. Ionic Conduction in Lithium Ion Battery Composite Electrode Governs Cross-sectional Reaction Distribution

    PubMed Central

    Orikasa, Yuki; Gogyo, Yuma; Yamashige, Hisao; Katayama, Misaki; Chen, Kezheng; Mori, Takuya; Yamamoto, Kentaro; Masese, Titus; Inada, Yasuhiro; Ohta, Toshiaki; Siroma, Zyun; Kato, Shiro; Kinoshita, Hajime; Arai, Hajime; Ogumi, Zempachi; Uchimoto, Yoshiharu

    2016-01-01

    Composite electrodes containing active materials, carbon and binder are widely used in lithium-ion batteries. Since the electrode reaction occurs preferentially in regions with lower resistance, reaction distribution can be happened within composite electrodes. We investigate the relationship between the reaction distribution with depth direction and electronic/ionic conductivity in composite electrodes with changing electrode porosities. Two dimensional X-ray absorption spectroscopy shows that the reaction distribution is happened in lower porosity electrodes. Our developed 6-probe method can measure electronic/ionic conductivity in composite electrodes. The ionic conductivity is decreased for lower porosity electrodes, which governs the reaction distribution of composite electrodes and their performances. PMID:27193448

  4. Calculation of diffusion-limited kinetics for the reactions in collision coupling and receptor cross-linking.

    PubMed Central

    Shea, L D; Omann, G M; Linderman, J J

    1997-01-01

    Both enzyme (e.g., G-protein) activation via a collision coupling model and the formation of cross-linked receptors by a multivalent ligand involve reactions between two molecules diffusing in the plasma membrane. The diffusion of these molecules is thought to play a critical role in these two early signal transduction events. In reduced dimensions, however, diffusion is not an effective mixing mechanism; consequently, zones in which the concentration of particular molecules (e.g., enzymes, receptors) becomes depleted or enriched may form. To examine the formation of these depletion/ accumulation zones and their effect on reaction rates and ultimately the cellular response, Monte Carlo techniques are used to simulate the reaction and diffusion of molecules in the plasma membrane. The effective reaction rate at steady state is determined in terms of the physical properties of the tissue and ligand for both enzyme activation via collision coupling and the generation of cross-linked receptors. The diffusion-limited reaction rate constant is shown to scale with the mean square displacement of a receptor-ligand complex. The rate constants determined in the simulation are compared with other theoretical predictions as well as experimental data. PMID:9414209

  5. One-pot cross-enyne metathesis (CEYM)-Diels-Alder reaction of gem-difluoropropargylic alkynes.

    PubMed

    Fustero, Santos; Bello, Paula; Miró, Javier; Sánchez-Roselló, María; Haufe, Günter; Del Pozo, Carlos

    2013-01-01

    Propargylic difluorides 1 were used as starting substrates in a combination of cross-enyne metathesis and Diels-Alder reactions. Thus, the reaction of 1 with ethylene in the presence of 2(nd) generation Hoveyda-Grubbs catalyst generates a diene moiety which in situ reacts with a wide variety of dienophiles giving rise to a small family of new fluorinated carbo- and heterocyclic derivatives in moderate to good yields. This is a complementary protocol to the one previously described by our research group, which involved the use of 1,7-octadiene as an internal source of ethylene.

  6. The centrifugal sudden distorted wave method for calculating cross sections for chemical reactions: Angular distributions for Cl + HCl --> ClH + Cl

    NASA Astrophysics Data System (ADS)

    Schatz, George C.; Amaee, B.; Connor, J. N. L.

    1987-10-01

    We describe a method for calculating cross sections for atom plus diatom reactive collisions based on the centrifugal sudden distorted wave (CSDW) approximation. This method is nearly exact at low energies where reactive cross sections are small. Representative CPU times are given for applications of the CSDW method to the Cl + HCl → ClH + Cl reaction using CDC 7600, Cyber 176, Cyber 205, Cray X-MP and Cray-2 computers. We also present differential cross sections for the Cl + HCl reaction and apply a simple semiclassical model which relates these cross sections to the partial wave reaction probabilities, and to the energy dependence of the reaction probabilities for zero total angular momentum. This model explains why the differential cross sections are backward peaked, and why the oscillatory cross sections seen in earlier, more approximate infinite order sudden calculations are not found in the present results at low energy.

  7. Functional Group Tolerant Nickel-Catalyzed Cross-Coupling Reaction for Enantioselective Construction of 30 Methyl-Bearing Stereocenters

    PubMed Central

    Wisniewska, Hanna M.; Swift, Elizabeth C.; Jarvo, Elizabeth R.

    2013-01-01

    The first Negishi nickel-catalyzed stereospecific cross-coupling reaction of secondary benzylic esters is reported. A series of traceless directing groups are evaluated for ability to promote cross-coupling with dimethylzinc. Esters with a chelating thioether derived from commercially-available 2-(methylthio)acetic acid are most effective. The products are formed in high yield and with excellent stereospecificity. A variety of functional groups are tolerated in the reaction including alkenes, alkynes, esters, amines, imides, and O-, S-, and N-heterocycles. The utility of this transformation is highlighted in the enantioselective synthesis of a retinoic acid receptor (RAR) agonist and a fatty acid amide hydrolase (FAAH) inhibitor. PMID:23751004

  8. Experimental differential cross sections, level densities, and spin cutoffs as a testing ground for nuclear reaction codes

    DOE PAGES

    Voinov, Alexander V.; Grimes, Steven M.; Brune, Carl R.; ...

    2013-11-08

    Proton double-differential cross sections from 59Co(α,p)62Ni, 57Fe(α,p)60Co, 56Fe(7Li,p)62Ni, and 55Mn(6Li,p)60Co reactions have been measured with 21-MeV α and 15-MeV lithium beams. Cross sections have been compared against calculations with the empire reaction code. Different input level density models have been tested. It was found that the Gilbert and Cameron [A. Gilbert and A. G. W. Cameron, Can. J. Phys. 43, 1446 (1965)] level density model is best to reproduce experimental data. Level densities and spin cutoff parameters for 62Ni and 60Co above the excitation energy range of discrete levels (in continuum) have been obtained with a Monte Carlo technique. Furthermore,more » excitation energy dependencies were found to be inconsistent with the Fermi-gas model.« less

  9. Intensification of heterogeneously catalyzed Suzuki-Miyaura cross-coupling reaction using ultrasound: Understanding effect of operating parameters.

    PubMed

    Sancheti, Sonam V; Gogate, Parag R

    2017-01-27

    Palladium-catalyzed Suzuki-Miyaura cross-coupling reaction is a significant reaction for obtaining industrially important products. The current research work deals with intensification of reaction of 4-bromoanisole and phenylboronic acid catalyzed with 5wt% Pd/C (5% by weight Pd supported on C available as commercial catalyst) using ultrasound and more importantly, without use of any additional phase transfer catalyst. Heterogeneous catalyst has been selected in the present work so as to harness the benefits of easy separation and the possible limitations of heterogeneous operation are minimized by introducing ultrasonic irradiations. The effect of operating parameters such as ultrasound power, temperature, catalyst loading and molar ratio on the progress of reaction has been investigated. It has been observed that an optimum power, temperature and catalyst loading exist for maximum benefits whereas higher molar ratio was found to be favourable for the progress of the reaction. Also, the use of ultrasound reduced the reaction time from 70min required in conventional approach to only 35min under conditions of frequency of 22kHz, power dissipation of 40W and catalyst loading as 1.5mol% (refers to total quantum of catalyst used in the work) in ethanol-water system under ambient conditions. The work also demonstrated successful results at ten times higher volume as compared to the normally used volumes in the case of simple ultrasonic horn. Overall, the work has successfully demonstrated process intensification benefits obtained due to the use of ultrasound for heterogeneously catalyzed Suzuki-Miyaura cross-coupling reaction.

  10. Substrate-Controlled Diastereoselectivity Reversal in NHC-Catalyzed Cross-Benzoin Reactions Using N-Boc-N-Bn-Protected α-Amino Aldehydes.

    PubMed

    Haghshenas, Pouyan; Quail, J Wilson; Gravel, Michel

    2016-12-16

    The effectiveness of utilizing N-Bn-N-Boc-α-amino aldehydes in cross-benzoin reactions with heteroaromatic aldehydes is demonstrated. The reaction is both chemoselective and syn-selective, making it complementary to the anti-selective cross-benzoin reaction of NHBoc-α-amino aldehydes. Good diastereoselectivity is obtained for a variety of amino aldehydes, including nonhindered ones. A Felkin-Anh model can be used to rationalize the observed diastereoselectivity.

  11. Differential reaction cross section of the C2H5X (X=Br, I) K → systems

    NASA Astrophysics Data System (ADS)

    Herrero, V. J.; Tabares, F. L.; Saez Rabanos, V.; Aoiz, F. J.; González Ureña, A.

    Using the crossed molecular beam method complete laboratory differential reaction cross sections for the exoergic reaction C2H5Br → BrK + C2H5 have been measured as a function of relative translational energy from 0·11 to 0·41 eV. An analysis has been carried out of both the present KBr laboratory angular distributions and that of KI from the K + C2H5I molecular beam reaction obtained by Aoiz et al., over the range of reactive translational energy, Ēt, from 0·17 eV to 0·55 eV. By using the uncoupled approximation for the centre of mass (c.m.) angular and recoil energy distributions to recover the laboratory angular distributions it was found the c.m. differential (solid angle) reaction cross sections to be backward-peaked, characteristic of a direct, rebound mechanism, with a large fraction of the available energy going into product translation. The average translational energy of the products, Ē't, increases approximately linearly with increasing collision energy E't = 0·57 Ēt + 0·59 and Ē't = 0·65 Et + 0·72 (in eV) for the K + C2H5Br and C2H5I reactions respectively. The present data for the K + C2H5X (X = I, Br) systems are compared with previous results for the analogous CH3X reaction from where the role played by the halogen and alkyl group is discussed and qualitative effects are noted as, for example, the fact that the heavier the alkyl group the broader the backward cone of the MX angular distribution. Comparison with several theoretical impulsive models, e.g. the photodissociation model of Herschbach and the information-theoretic form of Levine and coworkers is made. A modified hard sphere collision is also found to account satisfactorily for the main features of the present differential reaction cross sections.

  12. Measurement of activation cross-sections for high-energy neutron-induced reactions of Bi and Pb

    NASA Astrophysics Data System (ADS)

    Zaman, Muhammad; Kim, Guinyun; Kim, Kwangsoo; Naik, Haladhara; Shahid, Muhammad; Lee, Manwoo

    2015-08-01

    The cross-sections for 209Bi(n, 4n)206Bi, 209Bi(n, 5n)205Bi, natPb(n, xn)204mPb, natPb(n, xn)203Pb, natPb(n, xn)202mPb,natPb(n, xn)201Pb, natPb(n, xn)200Pb, natPb(n, αxn)203Hg and natPb(n, p xn)202Tl reactions were determined at the Korean Institute of Radiological and Medical Sciences (KIRAMS), Korea in the neutron energy range of 15.2 to 37.2 MeV. The above cross-sections were obtained by using the activation and off-line γ-ray spectrometric technique. The quasi-monoenergetic neutron used for the above reactions are based on the 9Be(p, n) reaction. Simulations of the spectral flux from the Be target were done using the MCNPX program. The cross-sections were estimated with the TALYS 1.6 code using the default parameter. The data from the present work and literature were compared with the data from the EAF-2010 and the TENDL-2013 libraries, and calculated values of TALYS 1.6 code. It shows that appropriate level density model, the γ-ray strength function, and the spin cut-off parameter are needed to obtain a good agreement between experimental data and theoretical values from TALYS 1.6 code.

  13. Photoisomerization Reaction Mechanisms of o-Nitrophenol Revealed by Analyzing Intersystem Crossing Network at the MRCI Level.

    PubMed

    Xu, Chao; Yu, Le; Zhu, Chaoyuan; Yu, Jianguo

    2015-10-22

    6SA-CASSCF(10, 10) /6-31G (d, p) and MRCI/cc-pVDZ methods were performed to probe photoisomerization reaction mechanisms of o-nitrophenol. Two low-lying singlet electronic states (S0 and S1) and two low-lying triplet electronic states (T1 and T2) were found to weave an intersystem crossing network in which a dominant stepwise photoisomerization provides a very efficient reaction pathway; the reaction takes place in the wide region of crossing seam-surface woven by S1 and T1 states first, followed by T1 and S0 states. Both intersystem crossing regions show strong spin-orbital coupling in the order of 40 wavenumbers. All nitro and aci-nitro isomers and transition states on four electronic potential energy surfaces are calculated along with analysis of both dominant and subdominant relaxation pathways, especially weak spin-orbital coupling (∼10 wavenumbers) between T2 and S1 states and effective conical intersection between T2 and T1 states opening a new relaxation pathway S1 → T2→ T1.

  14. [Fuzzy cluster for analysis of the relationship between the structure of cephalosporins and immune cross-reaction].

    PubMed

    Hu, C Q; Jin, S H; Sun, X L; Ren, M D

    1990-09-01

    Six parameters (molecular negentropy, acidic group number, basic group number, proton donor group number, proton acceptor group number, and a ratio of C atomic group number to total atomic group number) for characterizing the structure of an antibody combining site in a R1 chain of cephalosporins were selected. Although 12 parameters characterized the site A and site B in a R1 chain were used in fuzzy cluster, Fischer weighting ratio (Fi) indicated that only 5 parameters, 4 of them characterized the structure of site A, play an important part in the cluster. Therefore it was speculated that the site A was the major combining site in the antigen-antibody interaction. According to the similarity of the R1 chains, cephalosporins could be clustered into 4 groups among which less cross-reaction took place. Using the "relative Hamming distance" of the R1 chains for description of their similarity, we found that the intensity of the cross-reaction assayed by immune tests had a close correlation with the "relative Hamming distance", so the distance was used for prediction of the intensity of the cross-reaction of cephalosporins.

  15. Influence of collision energy and reagent rotation on the cross sections and product polarizations of the reaction F+ HCl

    NASA Astrophysics Data System (ADS)

    Duan, Zhi Xin; Li, Wen Liang; Qiu, Ming Hui

    2012-04-01

    Quasiclassical trajectory calculations have been carried out for the F+HCl reaction in three dimensions on a recent DHSN PES of the ground 12A' electronic state [M. P. Deskevich, M. Y. Hayes, K. Takahashi, R. T. Skodje, and D. J. Nesbitt, J. Chem. Phys. 124, 224303 (2006)]. The effects of the collision energy and the reagent initial rotational excitation on the cross sections and product polarization are studied for the v = 0 and j ⩽ 10 states of HCl over a wide collision energy range. It has been found that either the collision energy or the HCl rotational excitation increase remarkably reaction cross sections. The QCT-calculated integral cross sections are in good agreement with previous QM results. A detailed study on product polarization for the title reaction is also performed. The calculated results show that the product rotational angular momentum j' is not only aligned, but also oriented along the direction perpendicular to the scattering plane. The orientation of the HF product rotational angular momentum vector j' depends very sensitively on the collision energy and also affected by the reagent rotation. The theoretical findings and especially the roles of the collision energy and initial rotational momentum on the product polarization are discussed and reasonably explained by the HLH mass combination, the property of the PES, as well as the reactive mechanism.

  16. Influence of collision energy and reagent rotation on the cross sections and product polarizations of the reaction F + HCl.

    PubMed

    Duan, Zhi Xin; Li, Wen Liang; Qiu, Ming Hui

    2012-04-14

    Quasiclassical trajectory calculations have been carried out for the F+HCl reaction in three dimensions on a recent DHSN PES of the ground 1(2)A' electronic state [M. P. Deskevich, M. Y. Hayes, K. Takahashi, R. T. Skodje, and D. J. Nesbitt, J. Chem. Phys. 124, 224303 (2006)]. The effects of the collision energy and the reagent initial rotational excitation on the cross sections and product polarization are studied for the v = 0 and j ≤ 10 states of HCl over a wide collision energy range. It has been found that either the collision energy or the HCl rotational excitation increase remarkably reaction cross sections. The QCT-calculated integral cross sections are in good agreement with previous QM results. A detailed study on product polarization for the title reaction is also performed. The calculated results show that the product rotational angular momentum j' is not only aligned, but also oriented along the direction perpendicular to the scattering plane. The orientation of the HF product rotational angular momentum vector j' depends very sensitively on the collision energy and also affected by the reagent rotation. The theoretical findings and especially the roles of the collision energy and initial rotational momentum on the product polarization are discussed and reasonably explained by the HLH mass combination, the property of the PES, as well as the reactive mechanism.

  17. Intersystem crossing and dynamics in O(3P) + C2H4 multichannel reaction: experiment validates theory.

    PubMed

    Fu, Bina; Han, Yong-Chang; Bowman, Joel M; Angelucci, Luca; Balucani, Nadia; Leonori, Francesca; Casavecchia, Piergiorgio

    2012-06-19

    The O((3)P) + C(2)H(4) reaction, of importance in combustion and atmospheric chemistry, stands out as a paradigm reaction involving triplet- and singlet-state potential energy surfaces (PESs) interconnected by intersystem crossing (ISC). This reaction poses challenges for theory and experiments owing to the ruggedness and high dimensionality of these potentials, as well as the long lifetimes of the collision complexes. Primary products from five competing channels (H + CH(2)CHO, H + CH(3)CO, H(2) + CH(2)CO, CH(3) + HCO, CH(2) + CH(2)O) and branching ratios (BRs) are determined in crossed molecular beam experiments with soft electron-ionization mass-spectrometric detection at a collision energy of 8.4 kcal/mol. As some of the observed products can only be formed via ISC from triplet to singlet PESs, from the product BRs the extent of ISC is inferred. A new full-dimensional PES for the triplet state as well as spin-orbit coupling to the singlet PES are reported, and roughly half a million surface hopping trajectories are run on the coupled singlet-triplet PESs to compare with the experimental BRs and differential cross-sections. Both theory and experiment find almost equal contributions from the two PESs to the reaction, posing the question of how important is it to consider the ISC as one of the nonadiabatic effects for this and similar systems involved in combustion chemistry. Detailed comparisons at the level of angular and translational energy distributions between theory and experiment are presented for the two primary channel products, CH(3) + HCO and H + CH(2)CHO. The agreement between experimental and theoretical functions is excellent, implying that theory has reached the capability of describing complex multichannel nonadiabatic reactions.

  18. QuadraPure-Supported Palladium Nanocatalysts for Microwave-Promoted Suzuki Cross-Coupling Reaction under Aerobic Condition

    PubMed Central

    Loh, Poh Lee; Juan, Joon Ching; Yarmo, Mohd Ambar; Yusop, Rahimi M.

    2014-01-01

    Cross-linked resin-captured palladium (XL-QPPd) was readily prepared by simple physical adsorption onto the high loading QuadraPure macroporous resin and a subsequent reduction process. To enhance the mechanical stability, entrapped palladium nanocatalysts were cross-linked with succinyl chloride. Both transmission electron microscopy images and X-ray diffraction analysis revealed that the palladium nanoparticles were well dispersed with diameters ranging in 4–10 nm. The catalyst performed good catalytic activity in microwave-promoted Suzuki cross-coupling reactions in water under aerobic condition with mild condition by using various aryl halides and phenylboronic acid. In addition, the catalyst showed an excellent recyclability without significant loss of catalytic activity. PMID:25054185

  19. QuadraPure-supported palladium nanocatalysts for microwave-promoted Suzuki cross-coupling reaction under aerobic condition.

    PubMed

    Liew, Kin Hong; Loh, Poh Lee; Juan, Joon Ching; Yarmo, Mohd Ambar; Yusop, Rahimi M

    2014-01-01

    Cross-linked resin-captured palladium (XL-QPPd) was readily prepared by simple physical adsorption onto the high loading QuadraPure macroporous resin and a subsequent reduction process. To enhance the mechanical stability, entrapped palladium nanocatalysts were cross-linked with succinyl chloride. Both transmission electron microscopy images and X-ray diffraction analysis revealed that the palladium nanoparticles were well dispersed with diameters ranging in 4-10 nm. The catalyst performed good catalytic activity in microwave-promoted Suzuki cross-coupling reactions in water under aerobic condition with mild condition by using various aryl halides and phenylboronic acid. In addition, the catalyst showed an excellent recyclability without significant loss of catalytic activity.

  20. Integral cross section measurement of the U 235 ( n , n ' ) U 235 m reaction in a pulsed reactor

    DOE PAGES

    Bélier, G.; Bond, E. M.; Vieira, D. J.; ...

    2015-04-08

    The integral measurement of the neutron inelastic cross section leading to the 26-minute half-life 235mU isomer in a fission-like neutron spectrum is presented. The experiment has been performed at a pulsed reactor, where the internal conversion decay of the isomer was measured using a dedicated electron detector after activation. The sample preparation, efficiency measurement, irradiation, radiochemistry purification, and isomer decay measurement will be presented. We determined the integral cross section for the ²³⁵U(n,n')235mU reaction to be 1.00±0.13b. This result supports an evaluation performed with TALYS-1.4 code with respect to the isomer excitation as well as the total neutron inelastic scatteringmore » cross section.« less

  1. Differential cross section measurement of the 12C(e,e'pp)10Beg.s. reaction

    NASA Astrophysics Data System (ADS)

    Makek, M.; Achenbach, P.; Ayerbe Gayoso, C.; Barbieri, C.; Bernauer, J. C.; Böhm, R.; Bosnar, D.; Denig, A.; Distler, M. O.; Friščić, I.; Giusti, C.; Merkel, H.; Müller, U.; Nungesser, L.; Pochodzalla, J.; Sanches Majos, S.; Schlimme, B. S.; Schwamb, M.; Walcher, Th.

    2016-09-01

    The differential cross section was measured for the 12C(e,e'pp)10Be g.s. reaction at energy and momentum transfers of 163MeV and 198MeV/ c, respectively. The measurement was performed at the Mainz Microtron by using two high-resolution magnetic spectrometers of the A1 Collaboration and a newly developed silicon detector telescope. The overall resolution of the detector system was sufficient to distinguish the ground state from the first excited state in 10 Be. We chose a super-parallel geometry that minimizes the effect of two-body currents and emphasizes the effect of nucleon-nucleon correlations. The obtained differential cross section is compared to the theoretical results of the Pavia reaction code in which different processes leading to two-nucleon knockout are accounted for microscopically. The comparison shows a strong sensitivity to nuclear-structure input and the measured cross section is seen to be dominated by the interplay between long- and short-range nucleon-nucleon correlations. Microscopic calculations based on the ab initio self-consistent Green's function method give a reasonable description of the experimental cross section.

  2. (p,α) Reaction Cross Sections Calculations of Fe and Ni Target Nuclei Using New Developed Semi-empirical Formula

    NASA Astrophysics Data System (ADS)

    Tel, E.; Akca, S.; Kara, A.; Yiğit, M.; Aydın, A.

    2013-10-01

    Iron (Fe) and nickel (Ni) are important fusion structural materials in reactor technology. The gas production in the metallic structure arising from many different types of nuclear reactions has been a significant damage mechanism in structural components of fusion reactors. The hydrogen and its isotopes at high temperatures leave out of the metallic lattice but the alpha (α) particles that remain in the lattice generate helium (He) gas bubbles. In other words, the α particles can cause serious changes in the physical and mechanical properties of the fusion structural materials. In this study, the excitation functions of 54,57Fe(p,α) and 58,60,61,64Ni(p,α) reactions have been investigated in the incident proton energy range of 10-40 MeV to estimate the radiation damage effects on fusion structural materials used in the construction of the first walls and core of the reactor. The calculations of (p,α) reaction cross sections on 54,57Fe and 58,60,61,64Ni have been made by using PCROSS code and CEM95 code. The full exciton and cascade exciton model (CEM95) for pre-equilibrium calculations and Weisskopf-Ewing model for equilibrium calculations are used. Besides, the semi-empirical cross section formula with new coefficient obtained by Tel et al. (Pramana J Phys 74:931-943, 2010) has been applied for (p,α) reactions at 17.9 MeV proton incident energy.

  3. Extension of activation cross section data of deuteron induced nuclear reactions on rhodium up to 50 MeV

    NASA Astrophysics Data System (ADS)

    Hermanne, A.; Tárkányi, F.; Takács, S.; Ditrói, F.

    2015-11-01

    In the frame of the systematical study of light ion induced nuclear reactions activation cross sections for deuteron induced reactions on monoisotopic 103Rh were extended to 50 MeV incident energy. Excitation functions were measured in the 49.8-36.6 MeV energy range for the 103Rh(d,xn)100,101Pd, 103Rh(d,pxn)99m,99g,100,101m,101g,102m,102gRh and 103Rh(d,x)97,103Ru reactions by using the stacked foil irradiation technique and off-line high resolution γ-ray spectrometry. The experimental results are compared to our previous results and to the theoretical predictions in the TENDL-2014 library (TALYS 1.6 code).

  4. Pd(II)-Catalyzed C–H Activation/C–C Cross-Coupling Reactions: Versatility and Practicality

    PubMed Central

    Chen, Xiao; Engle, Keary M.; Wang, Dong-Hui; Yu, Jin-Quan

    2009-01-01

    In the past decade, palladium-catalyzed C–H activation/C–C bond forming reactions have emerged as promising new catalytic transformations; however, development in this field is still at an early stage compared to the state of the art in cross-coupling reactions using aryl and alkyl halides. This Review begins with a brief introduction of four extensively investigated modes of catalysis for forming C–C bonds from C–H bonds: Pd(II)/Pd(0), Pd(II)/Pd(IV), Pd(0)/Pd(II)/Pd(IV) and Pd(0)/Pd(II) catalysis. More detailed discussion is then directed towards the recent development of Pd(II)-catalyzed coupling of C–H bonds with organometallic reagents through a Pd(II)/Pd(0) catalytic cycle. Despite much progress made to date, improving the versatility and practicality of this new reaction remains a tremendous challenge. PMID:19557755

  5. An Am/Be neutron source and its use in integral tests of differential neutron reaction cross-section data.

    PubMed

    Uddin, M S; Zaman, M R; Hossain, S M; Spahn, I; Sudár, S; Qaim, S M

    2010-09-01

    An Am/Be neutron source, installed recently at the Rajshahi University, is described. Neutron flux mapping was done using the nuclear reactions (197)Au(n,gamma)(198)Au, (113)In(n,gamma)(114m)In, (115)In(n,n'gamma)(115m)In and (58)Ni(n,p)(58)Co. An approximate validation of the neutron spectral shape was done using five neutron threshold detectors and the iterative unfolding code SULSA. Integral cross sections of the reactions (54)Fe(n,p)(54)Mn, (59)Co(n,p)(59)Fe and (92)Mo(n,p)(92m)Nb were measured with fast neutrons (E(n)>1.5MeV) and compared with data calculated using the neutron spectral distribution and the excitation function of each reaction given in data libraries: an agreement within +/-6% was found.

  6. Use of Neutron Transfer Reactions to Indirectly Determine Neutron Capture Cross Sections on Neutron-Rich Nuclei

    SciTech Connect

    McCleskey, M.; Mukhamedzhanov, A. M.; Tribble, R. E.; Simmons, E.; Spiridon, A.; Banu, A.; Roeder, B.; Goldberg, V.; Trache, L.; Chen, X. F.; Lui, Y.-W.

    2010-03-01

    {sup 14}C(n,gamma){sup 15}C is being used as a test case in the development of an indirect method to determine neutron capture cross sections on neutron-rich unstable nuclei at astrophysical energies. Our approach makes use of two reactions: one peripheral used to find the asymptotic normalization coefficient (ANC) and a second non-peripheral reaction to determine the spectroscopic factor. The ANC for {sup 15}C has been determined using a HI neutron transfer reaction with a 12 MeV/nucleon {sup 14}C beam on a {sup 13}C target. The spectroscopic factor will be determined using {sup 14}C(d,p) in forward kinematics with an incident deuteron energy of 60 MeV. Both experiments were performed using the MDM high-resolution spectrometer at Texas A and M University.

  7. A quantum time-dependent wave-packet study of intersystem crossing effects in the O(3P0, 1, 2) + D2(v = 0, j = 0) reaction

    NASA Astrophysics Data System (ADS)

    Zhao, Juan

    2013-04-01

    We investigated spin-orbit-induced intersystem crossing effects in the title reaction by the time-dependent wave-packet method combined with an extended split operator scheme. We performed non-adiabatic calculations of the fine-structure-resolved cross section and adiabatic calculations of integral cross section. The calculations are based on the potential energy surfaces of 3A' and the two degenerate 3A'' states [S. Rogers, D. Wang, A. Kuppermann, and S. Walch, J. Phys. Chem. A 104, 2308 (2000)], 10.1021/jp992985g, together with the spin-orbit coupling matrix [B. Maiti and G. C. Schatz, J. Chem. Phys. 119, 12360 (2003)], 10.1063/1.1623481 and singlet 1A' potential energy surface [J. Dobbyn and P. J. Knowles, Faraday Discuss. 110, 247 (1998)]. The results of the O(3P) + D2 are similar to those of the O(3P) + H2 reaction. The product spin state-resolved reaction cross section and the total reaction cross section both show that the adiabatic channel is dominant in all cases, and the non-adiabatic channels have cross sections of several orders of magnitude smaller than the adiabatic channels at high collision energy. Although the cross sections caused by the intersystem crossing effects in the O(3P) + D2 reaction are larger than those in the O(3P) + H2 reaction, the differences in non-adiabaticity between these two reaction systems are quite modest. Based on the results of the O(3P) + H2 reaction, we can predict that the influence of spin-orbit on the total reaction cross sections of the O(3P) + D2 reaction is also insignificant. However, these non-adiabatic effects can be reflected in the presence of some forward-scattering in the angular distribution for the OD product.

  8. Absolute and relative blindsight.

    PubMed

    Balsdon, Tarryn; Azzopardi, Paul

    2015-03-01

    The concept of relative blindsight, referring to a difference in conscious awareness between conditions otherwise matched for performance, was introduced by Lau and Passingham (2006) as a way of identifying the neural correlates of consciousness (NCC) in fMRI experiments. By analogy, absolute blindsight refers to a difference between performance and awareness regardless of whether it is possible to match performance across conditions. Here, we address the question of whether relative and absolute blindsight in normal observers can be accounted for by response bias. In our replication of Lau and Passingham's experiment, the relative blindsight effect was abolished when performance was assessed by means of a bias-free 2AFC task or when the criterion for awareness was varied. Furthermore, there was no evidence of either relative or absolute blindsight when both performance and awareness were assessed with bias-free measures derived from confidence ratings using signal detection theory. This suggests that both relative and absolute blindsight in normal observers amount to no more than variations in response bias in the assessment of performance and awareness. Consideration of the properties of psychometric functions reveals a number of ways in which relative and absolute blindsight could arise trivially and elucidates a basis for the distinction between Type 1 and Type 2 blindsight.

  9. Validation of Cross Sections with Criticality Experiment and Reaction Rates: the Neptunium Case

    NASA Astrophysics Data System (ADS)

    Leong, L. S.; Tassan-Got, L.; Audouin, L.; Berthier, B.; Le Naour, C.; Stéphan, C.; Paradela, C.; Tarrío, D.; Duran, I.

    2014-04-01

    The 237Np neutron-induced fission cross section has been recently measured in a large energy range (from eV to GeV) at the n_TOF facility at CERN. When compared to previous measurements the n_TOF fission cross section appears to be higher by 5-7% beyond the fission threshold. To check the relevance of the n_TOF data, we considered a criticality experiment performed at Los Alamos with a 6 kg sphere of 237Np, surrounded by uranium highly enriched in 235U so as to approach criticality with fast neutrons. The multiplication factor keff of the calculation is in better agreement with the experiment when we replace the ENDF/B-VII.0 evaluation of the 237Np fission cross section by the n_TOF data. We also explored the hypothesis of deficiencies of the inelastic cross section in 235U which has been invoked by some authors to explain the deviation of 750 pcm. The large modification needed to reduce the deviation seems to be incompatible with existing inelastic cross section measurements. Also we show that the νbar of 237Np can hardly be incriminated because of the high accuracy of the existing data. Fission rate ratios or averaged fission cross sections measured in several fast neutron fields seem to give contradictory results on the validation of the 237Np cross section but at least one of the benchmark experiments, where the active deposits have been well calibrated for the number of atoms, favors the n_TOF data set. These outcomes support the hypothesis of a higher fission cross section of 237Np.

  10. Absolute neutrino mass scale

    NASA Astrophysics Data System (ADS)

    Capelli, Silvia; Di Bari, Pasquale

    2013-04-01

    Neutrino oscillation experiments firmly established non-vanishing neutrino masses, a result that can be regarded as a strong motivation to extend the Standard Model. In spite of being the lightest massive particles, neutrinos likely represent an important bridge to new physics at very high energies and offer new opportunities to address some of the current cosmological puzzles, such as the matter-antimatter asymmetry of the Universe and Dark Matter. In this context, the determination of the absolute neutrino mass scale is a key issue within modern High Energy Physics. The talks in this parallel session well describe the current exciting experimental activity aiming to determining the absolute neutrino mass scale and offer an overview of a few models beyond the Standard Model that have been proposed in order to explain the neutrino masses giving a prediction for the absolute neutrino mass scale and solving the cosmological puzzles.

  11. Differential cross sections measurement of 31P(p,pγ1)31P reaction for PIGE applications

    NASA Astrophysics Data System (ADS)

    Jokar, A.; Kakuee, O.; Lamehi-Rachti, M.

    2016-09-01

    Differential cross sections of proton induced gamma-ray emission from the 31P(p,pγ1)31P (Eγ = 1266 keV) nuclear reaction were measured in the proton energy range of 1886-3007 keV at the laboratory angle of 90°. For these measurements a thin Zn3P2 target evaporated onto a self-supporting C film was used. The gamma-rays and backscattered protons were detected simultaneously. An HPGe detector placed at an angle of 90° with respect to the beam direction was employed to collect gamma-rays while an ion implanted Si detector placed at a scattering angle of 165° was used to detect backscattered protons. Simultaneous collection of gamma-rays and RBS spectra is a great advantage of this approach which makes differential cross-section measurements independent on the collected beam charge. The obtained cross-sections were compared with the previously only measured data in the literature. The validity of the measured differential cross sections was verified through a thick target benchmarking experiment. The overall systematic uncertainty of cross section values was estimated to be better than ±9%.

  12. Polymerase cross-linking spiral reaction (PCLSR) for detection of African swine fever virus (ASFV) in pigs and wild boars.

    PubMed

    Woźniakowski, Grzegorz; Frączyk, Magdalena; Kowalczyk, Andrzej; Pomorska-Mól, Małgorzata; Niemczuk, Krzysztof; Pejsak, Zygmunt

    2017-02-15

    The study reports the development of a polymerase cross-linking spiral reaction (PCLSR) for the detection of African swine fever virus (ASFV) DNA in blood collected from infected pigs and wild boars. The method uses 3 specifically designed primers. Two outer-spiral primers comprising of 3' sequences complementary to ASFV p72 gene sequence and 5'end sequences complementary to exogenous gene of black widow alpha-latrotoxin as well as additional ASFV specific cross-linking primer. The method is specific exclusively to ASFV DNA without cross-reactions with cDNA of classical swine fever virus (CSFV), porcine reproductive respiratory syndrome (PRRSV) or porcine epidemic diarrhea virus (PEDV). The sensitivity of this technique reached 7.2 × 10(2) copies per μl(-1) of plasmid containing p72 gene. The PCLSR was conducted at 65 °C creating cross-linked complex structures. The results of PCLSR were visualized using SYBR Green I dye, gel electrophoresis while the reaction progress was traced using real-time PCR system that resulted in registration of fluorescent curves and melting peaks at 85.3 °C. The developed PCLSR was examined using blood or tissue samples collected from selected 17 ASF cases from infected wild boars and 3 outbreaks in pigs. Further tests have been also conducted using 55 tissue samples from 23 outbreaks and 22 cases. These results showed that PCLSR might be further used for preliminary and cost-effective detection and surveillance of ASFV.

  13. Polymerase cross-linking spiral reaction (PCLSR) for detection of African swine fever virus (ASFV) in pigs and wild boars

    PubMed Central

    Woźniakowski, Grzegorz; Frączyk, Magdalena; Kowalczyk, Andrzej; Pomorska-Mól, Małgorzata; Niemczuk, Krzysztof; Pejsak, Zygmunt

    2017-01-01

    The study reports the development of a polymerase cross-linking spiral reaction (PCLSR) for the detection of African swine fever virus (ASFV) DNA in blood collected from infected pigs and wild boars. The method uses 3 specifically designed primers. Two outer-spiral primers comprising of 3′ sequences complementary to ASFV p72 gene sequence and 5′end sequences complementary to exogenous gene of black widow alpha-latrotoxin as well as additional ASFV specific cross-linking primer. The method is specific exclusively to ASFV DNA without cross-reactions with cDNA of classical swine fever virus (CSFV), porcine reproductive respiratory syndrome (PRRSV) or porcine epidemic diarrhea virus (PEDV). The sensitivity of this technique reached 7.2 × 102 copies per μl−1 of plasmid containing p72 gene. The PCLSR was conducted at 65 °C creating cross-linked complex structures. The results of PCLSR were visualized using SYBR Green I dye, gel electrophoresis while the reaction progress was traced using real-time PCR system that resulted in registration of fluorescent curves and melting peaks at 85.3 °C. The developed PCLSR was examined using blood or tissue samples collected from selected 17 ASF cases from infected wild boars and 3 outbreaks in pigs. Further tests have been also conducted using 55 tissue samples from 23 outbreaks and 22 cases. These results showed that PCLSR might be further used for preliminary and cost-effective detection and surveillance of ASFV. PMID:28198455

  14. Rapid Diagnostic Tests for Malaria Diagnosis in the Peruvian Amazon: Impact of pfhrp2 Gene Deletions and Cross-Reactions

    PubMed Central

    Maltha, Jessica; Gamboa, Dionicia; Bendezu, Jorge; Sanchez, Luis; Cnops, Lieselotte; Gillet, Philippe; Jacobs, Jan

    2012-01-01

    Background In the Peruvian Amazon, Plasmodium falciparum and Plasmodium vivax malaria are endemic in rural areas, where microscopy is not available. Malaria rapid diagnostic tests (RDTs) provide quick and accurate diagnosis. However, pfhrp2 gene deletions may limit the use of histidine-rich protein-2 (PfHRP2) detecting RDTs. Further, cross-reactions of P. falciparum with P. vivax-specific test lines and vice versa may impair diagnostic specificity. Methods Thirteen RDT products were evaluated on 179 prospectively collected malaria positive samples. Species diagnosis was performed by microscopy and confirmed by PCR. Pfhrp2 gene deletions were assessed by PCR. Results Sensitivity for P. falciparum diagnosis was lower for PfHRP2 compared to P. falciparum-specific Plasmodium lactate dehydrogenase (Pf-pLDH)- detecting RDTs (71.6% vs. 98.7%, p<0.001). Most (19/21) false negative PfHRP2 results were associated with pfhrp2 gene deletions (25.7% of 74 P. falciparum samples). Diagnostic sensitivity for P. vivax (101 samples) was excellent, except for two products. In 10/12 P. vivax-detecting RDT products, cross-reactions with the PfHRP2 or Pf-pLDH line occurred at a median frequency of 2.5% (range 0%–10.9%) of P. vivax samples assessed. In two RDT products, two and one P. falciparum samples respectively cross-reacted with the Pv-pLDH line. Two Pf-pLDH/pan-pLDH-detecting RDTs showed excellent sensitivity with few (1.0%) cross-reactions but showed faint Pf-pLDH lines in 24.7% and 38.9% of P. falciparum samples. Conclusion PfHRP2-detecting RDTs are not suitable in the Peruvian Amazon due to pfhrp2 gene deletions. Two Pf-pLDH-detecting RDTs performed excellently and are promising RDTs for this region although faint test lines are of concern. PMID:22952633

  15. Quantitative standards for absolute linguistic universals.

    PubMed

    Piantadosi, Steven T; Gibson, Edward

    2014-01-01

    Absolute linguistic universals are often justified by cross-linguistic analysis: If all observed languages exhibit a property, the property is taken to be a likely universal, perhaps specified in the cognitive or linguistic systems of language learners and users. In many cases, these patterns are then taken to motivate linguistic theory. Here, we show that cross-linguistic analysis will very rarely be able to statistically justify absolute, inviolable patterns in language. We formalize two statistical methods--frequentist and Bayesian--and show that in both it is possible to find strict linguistic universals, but that the numbers of independent languages necessary to do so is generally unachievable. This suggests that methods other than typological statistics are necessary to establish absolute properties of human language, and thus that many of the purported universals in linguistics have not received sufficient empirical justification.

  16. The absolute path command

    SciTech Connect

    Moody, A.

    2012-05-11

    The ap command traveres all symlinks in a given file, directory, or executable name to identify the final absolute path. It can print just the final path, each intermediate link along with the symlink chan, and the permissions and ownership of each directory component in the final path. It has functionality similar to "which", except that it shows the final path instead of the first path. It is also similar to "pwd", but it can provide the absolute path to a relative directory from the current working directory.

  17. Thulium-169 neutron inelastic scattering cross section measurements via the (169)Tm(n,n'gamma) reaction

    NASA Astrophysics Data System (ADS)

    Ko, Young June

    1999-11-01

    A neutron inelastic scattering study for low-lying states of thulium-169 below 1 MeV has been pursued by the detection of gamma rays from the 169Tm(n,n'γ) reaction. The inelastic level cross sections, which are important to obtain nuclear potential parameters and to understand reaction mechanisms, were obtained in this study. Incident neutrons were generated by bombarding a metallic lithium target with protons from the Lowell Van de Graaff accelerator. A germanium detector was used for gamma-ray observation. Excitation functions were measured from 0.2 to 1 MeV in 50 keV intervals at a scattering angle of 125°. Gamma-ray production cross sections were obtained for 37 observed transitions from 16 levels. Gamma-ray angular distributions from 35° to 135°, in 10° steps were measured at a neutron energy of 750 keV. The angular distributions were fitted with Legendre polynomials of even (up to fourth) order. Neutron inelastic level cross sections were inferred from the excitation functions and the angular distributions. Because cross-section data from previous experimental or theoretical work were not available, no direct comparison with previous work was made. A comparison of the magnitude and behavior of the (n,inelastic) cross section for thulium with those of neighboring odd-A nuclei indicated reasonable agreement. A classical model for angular momentum transfer indicates that states with spin >=/(+) may be excited only through the compound nucleus process, but for states with spin <=/(-) compound nucleus and direct interaction processes may both participate in the excitation.

  18. Energy-loss cross sections for inclusive charge-exchange reactions at intermediate energies

    NASA Technical Reports Server (NTRS)

    Cucinotta, Francis A.; Townsend, Lawrence W.; Dubey, Rajendra R.

    1993-01-01

    Charge-exchange reactions for scattering to the continuum are considered in a high-energy multiple scattering model. Calculations for (p,n) and (He-3,H-3) reactions are made and compared with experimental results for C-12, O-16, and Al-27 targets. Coherent effects are shown to lead to an important role for inelastic multiple scattering terms when light projectiles are considered.

  19. The effect of external magnetic fields on the catalytic activity of Pd nanoparticles in Suzuki cross-coupling reactions

    NASA Astrophysics Data System (ADS)

    Gao, Lei; Wang, Changlai; Li, Ren; Li, Ran; Chen, Qianwang

    2016-04-01

    Pd nanoparticles supported on Co3[Co(CN)6]2 nanoparticles (marked as Pd@Co3[Co(CN)6]2 nanoparticles) were prepared as catalysts for the Suzuki cross-coupling reaction under external magnetic fields (MFs). It is shown that a weak external MF can increase the rate of the Suzuki cross-coupling reaction at room temperature, and with the increase of the strength of external MFs the reaction rate also increased. At 30 °C, the yield was increased by nearly 50% under a 0.5 T external MF after 24 hours compared to that without a MF applied. Theoretical calculations revealed that the adsorption energy changed from -1.07 to -1.12 eV in the presence of MFs, which increased by 5% compared with the absence of MFs, leading to a lower total energy of the adsorption system, which is beneficial to the reaction. From the analysis of the partial density states, it could be seen that the 2p orbital of the carbon atom in bromobenzene and the 4d orbital of the Pd atom overlap more closely in the presence of MFs, which is beneficial for the electron transfer from the Pd substrate to the bromobenzene molecule. This study is helpful in understanding the interaction between MFs and catalysts and regulating the process of catalytic reactions via MFs.Pd nanoparticles supported on Co3[Co(CN)6]2 nanoparticles (marked as Pd@Co3[Co(CN)6]2 nanoparticles) were prepared as catalysts for the Suzuki cross-coupling reaction under external magnetic fields (MFs). It is shown that a weak external MF can increase the rate of the Suzuki cross-coupling reaction at room temperature, and with the increase of the strength of external MFs the reaction rate also increased. At 30 °C, the yield was increased by nearly 50% under a 0.5 T external MF after 24 hours compared to that without a MF applied. Theoretical calculations revealed that the adsorption energy changed from -1.07 to -1.12 eV in the presence of MFs, which increased by 5% compared with the absence of MFs, leading to a lower total energy of the

  20. Cationic Pd(II)-catalyzed C-H activation/cross-coupling reactions at room temperature: synthetic and mechanistic studies.

    PubMed

    Nishikata, Takashi; Abela, Alexander R; Huang, Shenlin; Lipshutz, Bruce H

    2016-01-01

    Cationic palladium(II) complexes have been found to be highly reactive towards aromatic C-H activation of arylureas at room temperature. A commercially available catalyst [Pd(MeCN)4](BF4)2 or a nitrile-free cationic palladium(II) complex generated in situ from the reaction of Pd(OAc)2 and HBF4, effectively catalyzes C-H activation/cross-coupling reactions between aryl iodides, arylboronic acids and acrylates under milder conditions than those previously reported. The nature of the directing group was found to be critical for achieving room temperature conditions, with the urea moiety the most effective in promoting facile coupling reactions at an ortho C-H position. This methodology has been utilized in a streamlined and efficient synthesis of boscalid, an agent produced on the kiloton scale annually and used to control a range of plant pathogens in broadacre and horticultural crops. Mechanistic investigations led to a proposed catalytic cycle involving three steps: (1) C-H activation to generate a cationic palladacycle; (2) reaction of the cationic palladacycle with an aryl iodide, arylboronic acid or acrylate, and (3) regeneration of the active cationic palladium catalyst. The reaction between a cationic palladium(II) complex and arylurea allowed the formation and isolation of the corresponding palladacycle intermediate, characterized by X-ray analysis. Roles of various additives in the stepwise process have also been studied.

  1. Cationic Pd(II)-catalyzed C–H activation/cross-coupling reactions at room temperature: synthetic and mechanistic studies

    PubMed Central

    Nishikata, Takashi; Abela, Alexander R; Huang, Shenlin

    2016-01-01

    Summary Cationic palladium(II) complexes have been found to be highly reactive towards aromatic C–H activation of arylureas at room temperature. A commercially available catalyst [Pd(MeCN)4](BF4)2 or a nitrile-free cationic palladium(II) complex generated in situ from the reaction of Pd(OAc)2 and HBF4, effectively catalyzes C–H activation/cross-coupling reactions between aryl iodides, arylboronic acids and acrylates under milder conditions than those previously reported. The nature of the directing group was found to be critical for achieving room temperature conditions, with the urea moiety the most effective in promoting facile coupling reactions at an ortho C–H position. This methodology has been utilized in a streamlined and efficient synthesis of boscalid, an agent produced on the kiloton scale annually and used to control a range of plant pathogens in broadacre and horticultural crops. Mechanistic investigations led to a proposed catalytic cycle involving three steps: (1) C–H activation to generate a cationic palladacycle; (2) reaction of the cationic palladacycle with an aryl iodide, arylboronic acid or acrylate, and (3) regeneration of the active cationic palladium catalyst. The reaction between a cationic palladium(II) complex and arylurea allowed the formation and isolation of the corresponding palladacycle intermediate, characterized by X-ray analysis. Roles of various additives in the stepwise process have also been studied. PMID:27340491

  2. Hypernuclear production cross section in the reaction of 6Li + 12C at 2 A GeV

    NASA Astrophysics Data System (ADS)

    Rappold, C.; Saito, T. R.; Bertini, O.; Bianchin, S.; Bozkurt, V.; Kim, E.; Kavatsyuk, M.; Ma, Y.; Maas, F.; Minami, S.; Nakajima, D.; Özel-Tashenov, B.; Yoshida, K.; Achenbach, P.; Ajimura, S.; Aumann, T.; Ayerbe Gayoso, C.; Bhang, H. C.; Caesar, C.; Erturk, S.; Fukuda, T.; Göküzüm, B.; Guliev, E.; Hoffmann, J.; Ickert, G.; Ketenci, Z. S.; Khaneft, D.; Kim, M.; Kim, S.; Koch, K.; Kurz, N.; Le Fèvre, A.; Mizoi, Y.; Nungesser, L.; Ott, W.; Pochodzalla, J.; Sakaguchi, A.; Schmidt, C. J.; Sekimoto, M.; Simon, H.; Takahashi, T.; Tambave, G. J.; Tamura, H.; Trautmann, W.; Voltz, S.; Yoon, C. J.

    2015-07-01

    Hypernuclear production cross sections have been deduced for the first time with induced reaction of heavy ion beam on fixed target and by means of the invariant mass method by the HypHI Collaboration exploiting the reaction of 6Li + 12C at 2 A GeV or √{sNN} = 2.70 GeV. A production cross section of 3.9 ± 1.4 μb for 3ΛH and of 3.1 ± 1.0 μb for 4ΛH respectively in the projectile rapidity region was inferred as well as the total production cross section of the Λ hyperon was measured and found to be equal to 1.7 ± 0.8 mb. A global fit based on a Bayesian approach was performed in order to include and propagate statistical and systematic uncertainties. Production ratios of 3ΛH/4ΛH, 3ΛH/Λ and 4ΛH/Λ were included in the inference procedure. The strangeness population factors S3 and S4 of 3ΛH and 4ΛH respectively were extracted. In addition, the multiplicities of the Λ hyperon, 3ΛH, and 4ΛH together with the rapidity and transversal momentum density distributions of the observed hypernuclei were extracted and reported.

  3. Cross section systematics for the lightest Bi and Po nuclei produced in complete fusion reactions with heavy ions

    SciTech Connect

    Andreyev, A.N.; Ackermann, D.; Muenzenberg, G.; Antalic, S.; Saro, S.; Streicher, B.; Darby, I.G.; Page, R.D.; Wiseman, D.R.; Franchoo, S.; Hessberger, F.P.; Kuusiniemi, P.; Lommel, B.; Kindler, B.; Mann, R.; Sulignano, B.; Hofmann, S.; Huyse, M.; Vel, K. van de; Duppen, P. van

    2005-07-01

    The production of the very neutron-deficient nuclides {sup 184-192}Bi and {sup 186-192}Po in the vicinity of the neutron midshell at N = 104 has been studied by using heavy-ion-induced complete fusion reactions in a series of experiments at the velocity filter SHIP. The cross sections for the xn and pxn evaporation channels of the {sup 46}Ti+{sup 144}Sm{yields}{sup 190}Po*,{sup 98}Mo+{sup 92}Mo{yields}{sup 190}Po*,{sup 50,52}Cr+{sup 142}Nd{yields}{sup 192,194}Po*, and {sup 94,95}Mo+{sup 93}Nb{yields}{sup 187,188}Bi* reactions were measured. The results obtained, together with the previously known cross section data for the heavier Bi and Po nuclides, are compared with the results of statistical model calculations carried out with the HIVAP code. It is shown that a satisfactory description of the experimental data requires a significant (up to 35%) reduction of the theoretical fission barriers. The optimal reactions for production of the lightest Bi and Po isotopes are discussed.

  4. Differential cross section for the π+d-->pp reaction from 80 to 417 MeV

    NASA Astrophysics Data System (ADS)

    Boswell, J.; Altemus, R.; Minehart, R.; Orphanos, L.; Ziock, H. J.; Wadlinger, E. A.

    1982-05-01

    Differential cross sections were measured for the reaction, π+d-->pp, at seven energies, 80, 100, 140, 182, 230, 323, and 417 MeV. Sufficient data were taken for a 1% statistical uncertainty at eleven different angles for most of these energies. The elastic π+p reaction was used to normalize the π+d-->pp data. Legendre polynomial fits of the data are presented. The increased accuracy and energy of these data require an addition of a 6θ* term in the traditional low energy form of the differential cross section: C(A+2θ*+B4θ*). The coefficients, A and B, are used to compare the present data with a survey of previous experiments and the theoretical work of Niskanen. Agreement is usually within uncertainties, but some diagreement remains even among recent experiments. NUCLEAR REACTIONS d (π,pp), E=80-417 MeV; measured σ(θ) calculated Legendre polynomial fits; compared to earlier work.

  5. Method of Cross-Linking Aerogels Using a One-Pot Reaction Scheme

    NASA Technical Reports Server (NTRS)

    Meador, Ann B.; Capadona, Lynn A.

    2008-01-01

    A document discusses a new, simplified method for cross-linking silica and other oxide aerogels, with a polymeric material to increase strength of such materials without adversely affecting porosity or low density. This innovation introduces the polymer precursor into the sol before gelation either as an agent, which co-reacts with the oxide gel, or as soluble polymer precursors, which do not interact with the oxide gel in any way. Subsequent exposure to heat, light, catalyst or other method of promoting polymerization causes cross-linking without any additional infiltration steps.

  6. Mizoroki-Heck Cross-coupling Reactions Catalyzed by Dichloro{bis[1,1',1''-(phosphinetriyl)tripiperidine]}palladium Under Mild Reaction Conditions

    PubMed Central

    Oberholzer, Miriam; Frech, Christian M.

    2014-01-01

    Dichloro-bis(aminophosphine) complexes of palladium with the general formula of [(P{(NC5H10)3-n(C6H11)n})2Pd(Cl)2] (where n = 0-2), belong to a new family of easy accessible, very cheap, and air stable, but highly active and universally applicable C-C cross-coupling catalysts with an excellent functional group tolerance. Dichloro{bis[1,1',1''-(phosphinetriyl)tripiperidine]}palladium [(P(NC5H10)3)2Pd(Cl)2] (1), the least stable complex within this series towards protons; e.g. in the form of water, allows an eased nanoparticle formation and hence, proved to be the most active Heck catalyst within this series at 100 °C and is a very rare example of an effective and versatile catalyst system that efficiently operates under mild reaction conditions. Rapid and complete catalyst degradation under work-up conditions into phosphonates, piperidinium salts and other, palladium-containing decomposition products assure an easy separation of the coupling products from catalyst and ligands. The facile, cheap, and rapid synthesis of 1,1',1"-(phosphinetriyl)tripiperidine and 1 respectively, the simple and convenient use as well as its excellent catalytic performance in the Heck reaction at 100 °C make 1 to one of the most attractive and greenest Heck catalysts available. We provide here the visualized protocols for the ligand and catalyst syntheses as well as the reaction protocol for Heck reactions performed at 10 mmol scale at 100 °C and show that this catalyst is suitable for its use in organic syntheses. PMID:24686532

  7. Cross-Cultural Differences in Children's Emotional Reactions to a Disappointing Situation

    ERIC Educational Resources Information Center

    Garrett-Peters, Patricia T.; Fox, Nathan A.

    2007-01-01

    Cross-cultural differences in emotional expressions following disappointment were examined in 59 Chinese American (CA) and 58 European American (EA) children. Children aged four or seven participated in a disappointing gift situation. Dimensions of expressive behaviors following disappointment were coded and included positive, negative, social…

  8. Cross-Linking Reactions for the Conversion of Polyphosphazenes into Useful Materials

    DTIC Science & Technology

    1994-05-18

    dissolve. Such solvent-swelled "gels" are known as hydrogels if the solvent is water, or organogels if an organic olvent is employed. Materials of this...An IPN consists of an organogel in which the monomer of one polymer is dissolved in the cross-linked matrix of the other. Polymerization of the

  9. Exact quantum cross sections for a three dimensional angle dependent model for three body reactions.

    NASA Technical Reports Server (NTRS)

    Baer, M.; Kouri, D. J.

    1971-01-01

    Exact quantum mechanical reactive cross sections are reported for a three dimensional angle dependent model surface. The surface simulates an atom-heteronuclear diatom system A + BC leading to AB + C where atom B is much heavier than A or C. The molecules BC and AB are taken to be rotating vibrators which can dissociate. Results for two angle dependent potentials are given.

  10. Cross sections for proton-induced reactions on Pd isotopes at energies relevant for the γ process

    NASA Astrophysics Data System (ADS)

    Dillmann, I.; Coquard, L.; Domingo-Pardo, C.; Käppeler, F.; Marganiec, J.; Uberseder, E.; Giesen, U.; Heiske, A.; Feinberg, G.; Hentschel, D.; Hilpp, S.; Leiste, H.; Rauscher, T.; Thielemann, F.-K.

    2011-07-01

    Proton-activation reactions on natural and enriched palladium samples were investigated via the activation technique in the energy range of Ep=2.75-9 MeV, close to the upper end of the respective Gamow window of the γ process. We have determined cross sections for 102Pd(p,γ)103Ag, 104Pd(p,γ)105Ag, and 105Pd(p,n)105Ag, as well as partial cross sections of 104Pd(p,n)104Agg, 105Pd(p,γ)106Agm, 106Pd(p,n)106Agm, and 110Pd(p,n)110Agm with uncertainties between 3% and 15% for constraining theoretical Hauser-Feshbach rates and for direct use in γ-process calculations.

  11. Astrophysical reaction rates for Ni-58,Ni-60(n,gamma) from new neutron capture cross section measurements

    SciTech Connect

    Guber, Klaus H; Derrien, Herve; Leal, Luiz C; Arbanas, Goran; Wiarda, Dorothea; Koehler, Paul; Harvey, John A

    2010-01-01

    New neutron capture cross section of 58,60Ni were measured in the energy range from 100 eV to 600 keV using the Oak Ridge Electron Linear Accelerator (ORELA). The combination of these new neutron capture data with previous transmission data allowed a resonance analysis up to 900 keV using R-matrix theory. The theoretically determined direct capture (DC) cross sections were included in the analyses. From these resonance parameters and the DC contribution, new (n,y) astrophysical reaction rates were determined over the entire energy range needed by the lastest stellar models describing the so-called weak s process. PACS numbers: 25.40.Lw, 26.20Kn, 27.40.+z, 27.50.+e, 97.10.Cv

  12. Activation cross sections of deuteron induced reactions on niobium in the 30-50 MeV energy range

    NASA Astrophysics Data System (ADS)

    Ditrói, F.; Tárkányi, F.; Takács, S.; Hermanne, A.; Ignatyuk, A. V.

    2016-04-01

    Activation cross-sections of deuterons induced reactions on Nb targets were determined with the aim of different applications and comparison with theoretical models. We present the experimental excitation functions of 93Nb(d,x)93m,90Mo, 92m,91m,90Nb, 89,88Zr and 88,87m,87gY in the energy range of 30-50 MeV. The results were compared with earlier measurements and with the cross-sections calculated by means of the theoretical model codes ALICE-D, EMPIRE-D and TALYS (on-line TENDL-2014 and TENDL-2015 libraries). Possible applications of the radioisotopes are discussed in detail.

  13. How the projectile neutron number influences the evaporation cross section in complete fusion reactions with heavy ions

    SciTech Connect

    Wang Chengbin; Zhang Jinjuan; Ren, Z. Z.; Shen, C. W.

    2010-11-15

    The influence of the projectile neutron number on the evaporation residue cross sections for the reactions {sup 208}Pb({sup 52,54}Cr,n,2n){sup 258-261}Sg and {sup 208}Pb({sup 48,50}Ti,n,2n){sup 254-257}Rf has been studied within the framework of a fusion-fission statistical model. The results obtained with the kewpie2 code are compared with recent experimental data. The excitation functions represent the experimental results well both in the maximum value and the lactation of the peak. The calculations show that the projectile neutron number greatly influences both the capture cross section and the fusion probability.

  14. An experimental technique for measurement of emission cross sections of excited state species in ion--molecule reactions

    SciTech Connect

    Mahmood, M.F. )

    1990-11-01

    A novel technique has been described in the present studies for the measurement of emission cross sections of excited state species formed in ion--molecule reactions and has been applied to the case of collisions of N{sup +}/Ar{sup +} ions with HgI{sub 2} molecules. Emission spectra of HgI radical due to ({ital B}--{ital X}) transition from highly excited levels to lower levels have been observed and identified. Using the integrated intensity of the most intense band of the HgI ({ital B}{sup 2}{Sigma}{sup +}, {ital v}{prime}=0{endash}{ital X} {sup 2}{Sigma}{sup +}, {ital v}{double prime}=22) transition at 445 nm, emission cross sections were measured in the kinetic energy range of 100--1000 eV (laboratory frame).

  15. Theoretical study of isotopic production cross-sections in proton-nucleus reactions at 200MeV

    NASA Astrophysics Data System (ADS)

    Sabra, Mohammad S.

    2016-03-01

    As NASA's future plans are likely to include extended human missions in deep space, protections from space radiation take on increased importance. When galactic cosmic rays, mainly protons, interacts with the material of spacecraft, secondary fragments are produced, which contribute substantially to the dose and dose equivalent received by the crew inside. A detailed understanding of the reaction mechanism, as well as a knowledge of cross sections are needed. We analyze energy spectra, angular distributions, and isotopic cross-sections of intermediate-mass fragments (IMFs) from the interaction of 27Al, 59Co, and 197Au with 200 MeV protons. Calculations within the modified statistical model with final state interaction were performed using SAPTON code. General agreement is obtained with the experiment which suggests that most of the IMFs are emitted after equilibrium is reached (i.e. in the evaporation stage).

  16. Aqueous two-phase system patterning of detection antibody solutions for cross-reaction-free multiplex ELISA

    NASA Astrophysics Data System (ADS)

    Frampton, John P.; White, Joshua B.; Simon, Arlyne B.; Tsuei, Michael; Paczesny, Sophie; Takayama, Shuichi

    2014-05-01

    Accurate disease diagnosis, patient stratification and biomarker validation require the analysis of multiple biomarkers. This paper describes cross-reactivity-free multiplexing of enzyme-linked immunosorbent assays (ELISAs) using aqueous two-phase systems (ATPSs) to confine detection antibodies at specific locations in fully aqueous environments. Antibody cross-reactions are eliminated because the detection antibody solutions are co-localized only to corresponding surface-immobilized capture antibody spots. This multiplexing technique is validated using plasma samples from allogeneic bone marrow recipients. Patients with acute graft versus host disease (GVHD), a common and serious condition associated with allogeneic bone marrow transplantation, display higher mean concentrations for four multiplexed biomarkers (HGF, elafin, ST2 and TNFR1) relative to healthy donors and transplant patients without GVHD. The antibody co-localization capability of this technology is particularly useful when using inherently cross-reactive reagents such as polyclonal antibodies, although monoclonal antibody cross-reactivity can also be reduced. Because ATPS-ELISA adapts readily available antibody reagents, plate materials and detection instruments, it should be easily transferable into other research and clinical settings.

  17. Use of RAST technique in wasp sting hypersensitivity. Cross-reactions between various insect antigens are specially considered.

    PubMed

    Müller, U; Roth, A; Yman, L; Patrizzi, R

    1978-08-01

    Clinical hypersensitivity to wasp stings was found to be fairly well correlated with the presence of serum IgE-antibodies against yellow jacket venom as detected by the RAST technique. Such antibodies were never found in a control group of non-allergic blood donors, but they were detected in a surprisingly large proportion of patients with bee sting allergy without known allergic reactions to wasps. Studies using RAST inhibition technique failed to prove cross-reactions between bee and wasp venoms. Considerably better results were obtained when venom antigens instead of whole body antigens were used in the RAST. RAST inhibition studies suggested that IgE-antibodies detected with RAST using whole body antigen are directed against bee venom constituents in the whole body extract.

  18. Evaporation residue cross sections for the {sup 100}Mo + {sup 116}Cd reaction -- energy dissipation in hot nuclei

    SciTech Connect

    Back, B.B.; Blumenthal, D.J.; Davids, C.N.

    1995-08-01

    In this experiment we tried to measure the evaporation residue cross section over a wide range of beam energies for the {sup 100}Mo + {sup 116}Cd reaction using the FMA. However, because of longer-than-estimated runs needed at each beam energy, and the difficulty of bending evaporation residues at the higher energies in the FMA, data were taken only at beam energies of E{sub beam} = 460, 490, and 521 MeV, which correspond to excitation energies of E{sub exc} = 62, 78, and 95 MeV, respectively. By comparing to results for the {sup 32}S + {sup 184}W reactions measured recently, we expect to demonstrate a strong entrance channel effect related to the hindrance of complete fusion in near-symmetric heavy systems (a fusion hindrance factor of the order 7-10 is expected on the basis of the Extra-Push Model). The data are being analyzed.

  19. Differential cross sections for the reactions γp→pη and γp→pη'

    DOE PAGES

    Williams, M.; Krahn, Z.; Applegate, D.; ...

    2009-10-29

    In high-statistics differential cross sections for the reactions γ p -> p η and γ p -> p η' the CLAS at Jefferson Lab was used to measure the center-of-mass energies from near threshold up to 2.84 GeV. The eta-prime results are the most precise to date and provide the largest energy and angular coverage. The eta measurements extend the energy range of the world's large-angle results by approximately 300 MeV. These new data, in particular the η' measurements, are likely to help constrain the analyses being performed to search for new baryon resonance states.

  20. [Can cross-allergic reactions to food antigens be the cause of recurrent pancreatitis in children with food allergies?].

    PubMed

    Subbotina, O A; Geppe, N A; Primak, E A; Surikova, O A; Orekhova, V P

    2014-01-01

    Drug and food allergy in 80% of cases are the cause of duodenal inflammation disrupting the function of the pancreatic ducts. However, in some cases, elimination diet in patients with food allergy does not provide a sufficient effect. The article shows the effect of cross-allergic reactions on recurrent pancreatitis in 28 children with food allergy (mean age 11.7 +/- 2.9 years). As an additional diagnostic criterion the coefficient of degranulation of mast cell in the intestinal mucosa (the ratio of degranulated forms to granulated) was determined, through which the effect of cross-allergic reactions (between food antigens and drugs of animal origin) on the duration and frequency of exacerbations of chronic pancreatitis in children with food sensitization has been shown. The exception of enzyme preparations for children with sensitization to pork and exception of eubiotics prepared using sucrose-gelatin-milk medium for children with sensitization to cow's milk and beef led to feel better in a shorter time (2-3 days) and to reduce the frequency of relapses. Catamnesis observation for 3 years showed that the incidence of recurrent exacerbations of the disease in 11 children with excepted cross-allergic reactions in the first year of follow-up was 9.1%, in the second year--9.1% and in the third year--0%, while in control group (17 children) the frequency of exacerbations was respectively 23.5; 35.3; 35.3%. In patients of the main group there was a slight overall increase of mast cells in the intestinal mucosa from 211.7 to 230.2 mm2 (p > 0.05) with decreasing of degranulated forms from 163.6 to 138.71 mm2 (p > 0.05) and significant increase of granulated forms from 47.41 to 91.51 mm2 (p < 0.05), resulting in a significant decrease in mast cells degranulation coefficient from 3.2 +/- 0.62/mm2 to 1.24 +/- 0.26/mm2 (p < 0.0001). Thus, duodenal etiology of recurrent pancreatitis caused by exposure to food antigens or cross-allergic reactions can be diagnosed with an

  1. Tandem cross enyne metathesis (CEYM)–intramolecular Diels–Alder reaction (IMDAR). An easy entry to linear bicyclic scaffolds

    PubMed Central

    Miró, Javier; Sánchez-Roselló, María; Sanz, Álvaro; Rabasa, Fernando

    2015-01-01

    Summary A new tandem cross enyne metathesis (CEYM)–intramolecular Diels–Alder reaction (IMDAR) has been carried out. It involves conjugated ketones, esters or amides bearing a remote olefin and aromatic alkynes as the starting materials. The overall process enables the preparation of a small family of linear bicyclic scaffolds in a very simple manner with moderate to good levels of diastereoselectivity. This methodology constitutes one of the few examples that employ olefins differently than ethylene in tandem CEYM–IMDAR protocols. PMID:26425205

  2. PIGE related differential cross-section measurements of the 25Mg(p,p‧γ)25Mg reaction

    NASA Astrophysics Data System (ADS)

    Preketes-Sigalas, K.; Lagoyannis, A.; Axiotis, M.; Becker, H. W.; Foteinou, V.; Harissopulos, S.; Kokkoris, M.; Provatas, G.

    2016-11-01

    The differential cross sections of the 25Mg(p,p‧γ)25Mg reaction, critical for the quantitative determination of magnesium in complex matrices using the PIGE technique, were measured at two (2) angles, 55° and 90°, and at proton energies from 2420 to 4550 keV, by detecting the 390, 585 and 975 keV γ-rays emitted. The experimental setup consisted of two 100% relative efficiency HPGe detectors. The results are compared to those already present in literature and an attempt is made to explain the existing discrepancies. The obtained results from the present work are validated via thick-target measurements.

  3. Absolute cross sections of electron attachment to molecular clusters. Part II: Formation of (H2O) N - , (N2O) N - , and (N2) N -

    NASA Astrophysics Data System (ADS)

    Vostrikov, A. A.; Dubov, D. Yu.

    2006-12-01

    Absolute cross sections σ-( E, N) of electron attachment to clusters (H2O) N , (N2O) N , and (N2) N for varying electron energy E and cluster size N are measured by using crossed electron and cluster beams in a vacuum. Continua of σ-( E) are found that correlate well with the functions of electron impact excitation of molecules’ internal degrees of freedom. The electron is attached through its solvation in a cluster. In the formation of (H2O){/N -}, (N2O){/N -}, and (N2){/N -}, the curves σ-( N) have a well-defined threshold because of a rise in the electron thermalization and solvation probability with N. For (H2O)900, (N2O)350, and (N2)260 clusters at E = 0.2 eV, the energy losses by the slow electron in the cluster are estimated as 3.0 × 107, 2.7 × 107, and 6.0 × 105 eV/m, respectively. It is found that the growth of σ- with N is the fastest for (H2O) N and (N2) N clusters at E → 0 as a result of polarization capture of the s-electron. Specifically, at E = 0.1 eV and N = 260, σ- = 3.0 × 10-13 cm2 for H2O clusters, 8.0 × 10-14 cm2 for N2O clusters, and 1.4 × 10-15 cm2 for N2 clusters; at E = 11 eV, σ- = 9.0 × 10-16 cm2 for (H2O)200 clusters, 2.4 × 10-14 cm2 for (N2O)350 clusters, and 5.0 × 10-17 cm2 for (N2)260 clusters; finally, at E = 30 eV, σ- = 3.6 × 10-17 cm2 for (N2O)10 clusters and 3.0 × 10-17 cm2 for (N2)125 clusters.

  4. Comparison of 3D Classical Trajectory and Transition-State Theory Reaction Cross Sections

    DOE R&D Accomplishments Database

    Koeppl, G. W.; Karplus, Martin

    1970-10-01

    Although there is excellent agreement for a system such as H+H{sub 2} --> H{sub 2}+H, in which both the potential and the particle masses are symmetric, significant deviations occur for more asymmetric reactions. A detailed analysis show that the calculated differences are from the violation of two assumptions of transition-state theory.

  5. Cross-checking of Large Evaluated and Experimental Nuclear Reaction Databases

    SciTech Connect

    Zeydina, O.; Koning, A.J.; Soppera, N.; Raffanel, D.; Bossant, M.; Dupont, E.; Beauzamy, B.

    2014-06-15

    Automated methods are presented for the verification of large experimental and evaluated nuclear reaction databases (e.g. EXFOR, JEFF, TENDL). These methods allow an assessment of the overall consistency of the data and detect aberrant values in both evaluated and experimental databases.

  6. Estimation of the Breakup Cross-Sections in 6He + 12C Reaction Within High-Energy Approximation and Microscopic Optical Potential

    NASA Astrophysics Data System (ADS)

    Lukyanov, V. K.; Zemlyanaya, E. V.; Lukyanov, K. V.

    The breakup cross-sections in the reaction 6He + 12C are calculated at about 40 MeV/nucleon using the high-energy approximation (HEA) and with the help of microscopic optical potentials (OP) of interaction with the target nucleus 12C of the projectile nucleus fragments 4He and 2n. Considering the di-neutron h = 2n as a single particle the relative motion hα wave function is estimated so that to explain both the separation energy of h in 6He and the rms radius of the latter. The stripping and absorbtion total cross-sections are calculated and their sum is compared with the total reaction cross-section obtained within a double-folding microscopic OP for the 6He + 12C scattering. It is concluded that the breakup cross-sections contribute to about 50% of the total reaction cross-section.

  7. Au, Bi, Co and Nb cross-section measured by quasimonoenergetic neutrons from p + 7Li reaction in the energy range of 18-36 MeV

    NASA Astrophysics Data System (ADS)

    Majerle, M.; Bém, P.; Novák, J.; Šimečková, E.; Štefánik, M.

    2016-09-01

    Au, Bi, Co and Nb samples were irradiated several times with quasi-monoenergetic neutrons from p + 7Li reaction in the energy range of 18-36 MeV. The activities of the samples were measured with the HPGe detector and the reaction rates were calculated. The cross-sections were extracted using the SAND-II method with the reference cross-sections from the EAF-2010 database. The uncertainties of the final results are discussed.

  8. Hydrogen Atom Transfer Reactions of a Ruthenium Imidazole Complex: Hydrogen Tunneling and the Applicability of the Marcus Cross Relation

    PubMed Central

    Wu, Adam; Mayer, James M.

    2009-01-01

    The reaction of RuII(acac)2(py-imH) (RuIIimH) with TEMPO• (2,2,6,6-tetramethyl-piperidine-1-oxyl radical) in MeCN quantitatively gives RuIII(acac)2(py-im) (RuIIIim) and the hydroxylamine TEMPO-H by transfer of H• (H+ + e−) (acac = 2,4-pentanedionato, py-imH = 2-(2′-pyridyl)imidazole). Kinetic measurements of this reaction by UV-vis stopped-flow techniques indicate a bimolecular rate constant k3H = 1400 ± 100 M−1 s−1 at 298 K. The reaction proceeds via a concerted hydrogen atom transfer (HAT) mechanism, as shown by ruling out the stepwise pathways of initial proton or electron transfer due to their very unfavorable thermochemistry (ΔG°). Deuterium transfer from RuII(acac)2(py-imD) (RuIIimD) to TEMPO• is surprisingly much slower at k3D = 60 ± 7 M−1 s−1, with k3H/k3D = 23 ± 3 at 298 K. Temperature dependent measurements of this deuterium kinetic isotope effect (KIE) show a large difference between the apparent activation energies, Ea3D − Ea3H = 1.9 ± 0.8 kcal mol−1. The large k3H/k3D and ΔEa values appear to be greater than the semi-classical limits and thus suggest a tunneling mechanism. The self-exchange HAT reaction between RuIIimH and RuIIIim, measured by 1H NMR line broadening, occurs with k4H = (3.2 ± 0.3) × 105 M−1 s−1 at 298 K and k4H/k4D = 1.5 ± 0.2. Despite the small KIE, tunneling is suggested by the ratio of Arrhenius pre-exponential factors, log(A4H/A4D) = −0.5 ± 0.3. These data provide a test of the applicability of the Marcus cross relation for H and D transfers, over a range of temperatures, for a reaction that involves substantial tunneling. The cross relation calculates rate constants for RuIIimH(D) + TEMPO• that are greater than those observed: k3H,calc/k3H = 31 ± 4 and k3D,calc/k3D = 140 ± 20 at 298 K. In these rate constants and in the activation parameters, there is a better agreement with the Marcus cross relation for H than for D transfer, despite the greater prevalence of tunneling for H. The cross

  9. Neutral current reaction cross sections for the stable 100 Mo isotope

    NASA Astrophysics Data System (ADS)

    Balasi, K. G.; Kosmas, T. S.; Divari, P. C.; Ejiri, H.

    2010-01-01

    Motivated by the ongoing MOON neutrino experiment at Japan aiming to search for double beta and neutrinoless double beta decay events, we investigate inelastic neutrino scattering cross sections for the stable 100Mo isotope by performing state-by-state calculations. The required many body nuclear wave functions are constructed within the context of the quasi-particle random phase approximation (QRPA) tested in the reproducibility of the low-lying spectrum of the 100Mo isotope.

  10. "Homeopathic" palladium nanoparticle catalysis of cross carbon-carbon coupling reactions.

    PubMed

    Deraedt, Christophe; Astruc, Didier

    2014-02-18

    Catalysis by palladium derivatives is now one of the most important tools in organic synthesis. Whether researchers design palladium nanoparticles (NPs) or nanoparticles occur as palladium complexes decompose, these structures can serve as central precatalysts in common carbon-carbon bond formation. Palladium NPs are also valuable alternatives to molecular catalysts because they do not require costly and toxic ligands. In this Account, we review the role of "homeopathic" palladium catalysts in carbon-carbon coupling reactions. Seminal studies from the groups of Beletskaya, Reetz, and de Vries showed that palladium NPs can catalyze Heck and Suzuki-Miyaura reactions with aryl iodides and, in some cases, aryl bromides at part per million levels. As a result, researchers coined the term "homeopathic" palladium catalysis. Industry has developed large-scale applications of these transformations. In addition, chemists have used Crooks' concept of dendrimer encapsulation to set up efficient nanofilters for Suzuki-Miyaura and selective Heck catalysis, although these transformations required high PdNP loading. With arene-centered, ferrocenyl-terminated dendrimers containing triazolyl ligands in the tethers, we designed several generations of dendrimers to compare their catalytic efficiencies, varied the numbers of Pd atoms in the PdNPs, and examined encapsulation vs stabilization. The catalytic efficiencies achieved "homeopathic" (TON = 540 000) behavior no matter the PdNP size and stabilization type. The TON increased with decreasing the Pd/substrate ratio, which suggested a leaching mechanism. Recently, we showed that water-soluble arene-centered dendrimers with tri(ethylene glycol) (TEG) tethers stabilized PdNPs involving supramolecular dendritic assemblies because of the interpenetration of the TEG branches. Such PdNPs are stable and retain their "homeopathic" catalytic activities for Suzuki-Miyaura reactions for months. (TONs can reach 2.7 × 10(6) at 80 °C for aryl

  11. Determination of the {sup 233}Pa(n,f) reaction cross section from 11.5 to 16.5 MeV neutron energy by the hybrid surrogate ratio approach

    SciTech Connect

    Nayak, B. K.; Saxena, A.; Biswas, D. C.; Mirgule, E. T.; John, B. V.; Santra, S.; Vind, R. P.; Choudhury, R. K.; Ganesan, S.

    2008-12-15

    A new hybrid surrogate ratio approach has been employed to determine neutron-induced fission cross sections of {sup 233}Pa in the energy range of 11.5 to 16.5 MeV for the first time. The fission probability of {sup 234}Pa and {sup 236}U compound nuclei produced in {sup 232}Th({sup 6}Li, {alpha}){sup 234}Pa and {sup 232}Th({sup 6}Li, d){sup 236}U transfer reaction channels has been measured at E{sub lab}=38.0 MeV in the excitation energy range of 17.0 to 22.0 MeV within the framework of the absolute surrogate method. The {sup 233}Pa(n,f) cross sections are then deduced from the measured fission decay probability ratios of {sup 234}Pa and {sup 236}U compound nuclei using the surrogate ratio method. The {sup 233}Pa(n,f) cross section data from the present experiment along with the data from the literature, covering the neutron energy range of 1.0 to 16.5 MeV have been compared with the predictions of statistical model code EMPIRE-2.19. While the present data are consistent with the model predictions, there is a discrepancy between the earlier experimental data and EMPIRE-2.19 predictions in the neutron energy range of 7.0 to 10.0 MeV.

  12. Differential cross section measurements of 27Al(p,p/γ)27Al and 27Al(p,αγ)24Mg reactions in the energy range of 1.6-3.0 MeV

    NASA Astrophysics Data System (ADS)

    Jokar, A.; Kakuee, O.; Lamehi-Rachti, M.; Sharifzadeh, N.; Fathollahi, V.

    2015-11-01

    In this work measurement of differential cross sections of 27Al(p,p/γ)27Al (Eγ = 844, 1014 keV) and 27Al(p,αγ)24Mg (Eγ = 1369 keV) nuclear reactions in the proton energy range of 1.6-3.0 MeV are described and the measured values are presented. Thin Al target was prepared by evaporating a 26 μg/cm2 Al onto a 129 μg/cm2 self-supporting Ag film. The gamma-rays and backscattered protons were detected simultaneously. The gamma-rays and protons were collected by an HPGe detector placed at an angle of 90° with respect to beam direction and an ion implanted Si detector placed at a scattering angle of 165°, respectively. In this experimental setup the great advantage is that differential cross sections could be independent on absolute values of the collected beam charge. The overall systematic uncertainty of cross sections was estimated to be ±9% while statistical errors were less than ±5%.

  13. Crossed-Beams and Theoretical Studies of Hyperthermal Reactions of O(3P) with HCl and H2O

    NASA Astrophysics Data System (ADS)

    Zhang, Jianming; Brunsvold, Amy L.; Upadhyaya, Hari P.; Minton, Timothy K.; Camden, Jon P.; Paci, Jeffrey T.; Schatz, George C.

    2011-05-01

    The reactions of O(3P) with HCl and H2O at hyperthermal collision energies (45-116 kcal mol-1) have been investigated with crossed-molecular beams experiments and direct dynamics quasiclassical trajectory calculations. Both reactive systems may proceed by two analogous primary pathways, (1) H-atom abstraction to produce OH and either Cl or OH and (2) H-atom elimination to produce H and either ClO or HO2. The H-atom elimination reactions are highly endoergic, and they have been observed experimentally for the first time. The H-atom abstraction reaction follows a stripping mechanism, in which the reagent O atom approaches the target molecule at large impact parameters and the OH product is scattered in the forward direction with respect to the initial direction of the reagent O atom. The H-atom elimination reaction requires low impact parameter collisions. The excitation function for ClO or HO2 increases from threshold to a maximum around 115 kcal mol-1 and then begins to decrease when the product can be formed with sufficient internal energy to undergo secondary dissociation. At collision energies slightly above threshold for H-atom elimination, the ClO or HO2 product scatters primarily in the backward direction, but as the collision energy increases, the fraction of these products that scatter in the forward and sideways directions increases. The dependence of the angular distribution of ClO or HO2 on collision energy is a result of the fact that only certain trajectories, where an H atom on the target molecule is oriented toward the incoming reagent O atom, can release enough energy in translation to lead to stable ClO or HO2 at higher collision energies. These trajectories lead to forward and sideways scattering of ClO or HO2. Moreover, these trajectories do not follow the minimum path and involve larger translational energy release. Therefore, they become dominant at higher collision energies because they lead to lower internal energies and more stable ClO or HO

  14. Reaction Dynamics of O((3)P) + Propyne: I. Primary Products, Branching Ratios, and Role of Intersystem Crossing from Crossed Molecular Beam Experiments.

    PubMed

    Vanuzzo, Gianmarco; Balucani, Nadia; Leonori, Francesca; Stranges, Domenico; Nevrly, Vaclav; Falcinelli, Stefano; Bergeat, Astrid; Casavecchia, Piergiorgio; Cavallotti, Carlo

    2016-07-14

    We performed synergic experimental/theoretical studies on the mechanism of the O((3)P) + propyne reaction by combining crossed molecular beams experiments with mass-spectrometric detection and time-of-flight analysis at 9.2 kcal/mol collision energy (Ec) with ab initio electronic structure calculations at a high level of theory of the relevant triplet and singlet potential energy surfaces (PESs) and statistical calculations of branching ratios (BRs) taking into account intersystem crossing (ISC). In this paper (I) we report the results of the experimental investigation, while the accompanying paper (II) shows results of the theoretical investigation with comparison to experimental results. By exploiting soft electron ionization detection to suppress/mitigate the effects of the dissociative ionization of reactants, products, and background gases, product angular and velocity distributions at different charge-to-mass ratios were measured. From the laboratory data angular and translational energy distributions in the center-of-mass system were obtained for the five competing most important product channels, and product BRs were derived. The reactive interaction of O((3)P) with propyne under single collision conditions is mainly leading to the rupture of the three-carbon atom chain, with production of the radical products methylketenyl + atomic hydrogen (BR = 0.04), methyl + ketenyl (BR = 0.10), and vinyl + formyl (BR = 0.11) and the molecular products ethylidene/ethylene + carbon monoxide (BR = 0.74) and propandienal + molecular hydrogen (BR = 0.01). Because some of the products can only be formed via ISC from the entrance triplet to the low-lying singlet PES, we infer from their BRs an amount of ISC larger than 80%. This value is dramatically large when compared to the negligible ISC reported for the O((3)P) reaction with the simplest alkyne, acetylene. At the same time, it is much larger than that (∼20%) recently observed in the related reaction of the three

  15. Cross sections for α-particle induced reactions on Sn115,116 around the Coulomb barrier

    NASA Astrophysics Data System (ADS)

    Filipescu, D.; Avrigeanu, V.; Glodariu, T.; Mihai, C.; Bucurescu, D.; Ivaşcu, M.; Căta-Danil, I.; Stroe, L.; Sima, O.; Căta-Danil, G.; Deleanu, D.; Ghiţă, D. G.; Mărginean, N.; Mărginean, R.; Negret, A.; Pascu, S.; Sava, T.; Suliman, G.; Zamfir, N. V.

    2011-06-01

    The cross sections of the Sn115(α,γ)Te119, Sn115(α,n)Te118, and Sn116(α,n)Te119 reactions (both on ground and isomeric states) have been measured at effective center-of-mass energies from 9.3 to 14.8 MeV. During a first experiment, enriched self-supporting Sn115 (51.2%) + Sn116 (24.4%) foils were bombarded with an α beam delivered by the Bucharest IFIN-HH Tandem Accelerator. In a second experiment, a highly enriched Sn116 target was irradiated in order to disentangle the experimental cross section contributions due to Sn115(α,γ)Te119 and Sn115(α,n)Te118 reactions obtained in the first measurement. The beam-induced activity was measured with two large volume HPGe detectors in close geometry. The experimental results were compared with theoretical predictions obtained in the framework of the statistical model.

  16. Optimisation of the reaction conditions for the production of cross-linked starch with high resistant starch content.

    PubMed

    Kahraman, Kevser; Koksel, Hamit; Ng, Perry K W

    2015-05-01

    The optimum reaction conditions (temperature and pH) for the preparation of cross-linked (CL) corn and wheat starches with maximum resistant starch (RS) content were investigated by using response surface methodology (RSM). According to the preliminary results, five levels were selected for reaction temperature (38-70 °C) and pH (10-12) in the main study. RS contents of the CL corn and wheat starch samples increased with increasing temperature and pH, and pH had a greater influence on RS content than had temperature. The maximum RS content (with a maximum p value of 0.4%) was obtained in wheat starch cross-linked at 38 °C and pH 12. In the case of CL corn starch, the optimum condition was 70 °C and pH 12. CL corn and wheat starch samples were also produced separately under the optimum conditions and their RS contents were 80.4% and 83.9%, respectively. These results were also in agreement with the values predicted by RSM.

  17. Development of a General, Sequential, Ring Closing Metathesis/Intramolecular Cross-Coupling Reaction for the Synthesis of Polyunsaturated Macrolactones

    PubMed Central

    Denmark, Scott E.; Muhuhi, Joseck M.

    2010-01-01

    A general strategy for the construction of macrocyclic lactones containing conjugated Z,Z-1,3-diene subunits has been is described. The centerpiece of the strategy is a sequential ring-closing metathesis that forms an unsaturated siloxane ring followed by an intramolecular cross-coupling reaction with a pendant alkenyl iodide. A highly modular assembly of the various precursors allowed the preparation of unsaturated macrolactones containing 11-, 12-, 13- and 14-membered rings. Although the ring closing metathesis process proceeded uneventfully, the intramolecular cross-coupling required extensive optimization of palladium source, solvent, fluoride source and particularly fluoride hydration level. Under the optimal conditions (including syringe pump high dilution), the macrolactones were produced in 53-78% yield as single stereoisomers. A benzo fused 12-membered ring macrolactone containing an E,Z-1,3-diene unit was also prepared by the same general strategy. The E-2-styryl iodide was prepared by a novel Heck reaction of an aryl nonaflate with vinyltrimethylsilane followed by iododesilylation with ICl. PMID:20666473

  18. Cross section measurements for neutron inelastic scattering and the (n, 2nγ) reaction on Pb206

    DOE PAGES

    Negret, A.; Mihailescu, L. C.; Borcea, C.; ...

    2015-06-30

    We measured excitation functions for γ production associated with the neutron inelastic scattering and the (n, 2n) reactions on 206Pb from threshold up to 18 MeV for about 40 transitions. Two independent measurements were performed using different samples and acquisition systems to check consistency of the results. Moreover, the neutron flux was determined with a 235U fission chamber and a procedure that were validated against a fluence standard. For incident energy higher than the threshold for the first excited level and up to 3.5 MeV, estimates are provided for the total inelastic and level cross sections by combining the presentmore » γ production cross sections with the level and decay data of 206Pb reported in the literature. The uncertainty common to all incident energies is 3.0% allowing overall uncertainties from 3.3% to 30% depending on transition and neutron energy. Finally, the present data agree well with earlier work, but significantly expand the experimental database while comparisons with model calculations using the talys reaction code show good agreement over the full energy range.« less

  19. Experimental differential cross sections, level densities, and spin cutoffs as a testing ground for nuclear reaction codes

    SciTech Connect

    Voinov, Alexander V.; Grimes, Steven M.; Brune, Carl R.; Burger, Alexander; Gorgen, Andreas; Guttormsen, Magne; Larsen, Ann -Cecilie; Massey, Thomas N.; Siem, Sunniva

    2013-11-08

    Proton double-differential cross sections from 59Co(α,p)62Ni, 57Fe(α,p)60Co, 56Fe(7Li,p)62Ni, and 55Mn(6Li,p)60Co reactions have been measured with 21-MeV α and 15-MeV lithium beams. Cross sections have been compared against calculations with the empire reaction code. Different input level density models have been tested. It was found that the Gilbert and Cameron [A. Gilbert and A. G. W. Cameron, Can. J. Phys. 43, 1446 (1965)] level density model is best to reproduce experimental data. Level densities and spin cutoff parameters for 62Ni and 60Co above the excitation energy range of discrete levels (in continuum) have been obtained with a Monte Carlo technique. Furthermore, excitation energy dependencies were found to be inconsistent with the Fermi-gas model.

  20. Partial cross sections of the 92Mo(p ,γ ) reaction and the γ strength in 93Tc

    NASA Astrophysics Data System (ADS)

    Mayer, J.; Goriely, S.; Netterdon, L.; Péru, S.; Scholz, P.; Schwengner, R.; Zilges, A.

    2016-04-01

    Background: 92Mo is the most abundant nucleus of the p nuclei, with an isotopic abundance of more than 14 %. The γ -process nucleosynthesis is believed to produce 92Mo but fails to explain its large abundance, especially with respect to the other p nuclei produced in the same stellar environment. Further studies require precise nuclear models for the calculation of reaction cross sections. Purpose: A measurement of the total and partial cross sections of the 92Mo(p ,γ )93Tc reaction allows for a stringent test of statistical-model predictions. Not only different proton+nucleus optical model potentials, but also the γ -ray strength function of 93Tc can be investigated. In addition, high-resolution in-beam γ -ray spectroscopy enables the determination of new precise nuclear structure data for 93Tc. Method: Total and partial cross-section values were measured by using the in-beam method. Prompt γ rays emitted during the irradiation of 92Mo with protons at seven different energies between 3.7 and 5.3 MeV were detected by using the high-purity germanium (HPGe) detector array HORUS at the Institute for Nuclear Physics, University of Cologne. The γ γ -coincidence method was applied to correlate γ -ray cascades in 93Tc with their origin in the 92Mo+p compound state. Results: The measured cross sections are compared to Hauser-Feshbach calculations by using the statistical-model code talys on the basis of different nuclear physics input models. Using default settings based on standard phenomenological models, the experimental values cannot be reproduced. A shell-model calculation was carried out to predict the low-energy M 1 strength in 93Tc. Together with Gogny-Hartree-Fock-Bogoliubov (Gogny-HFB) or Skyrme-HFB plus quasi-particle random-phase approximation (QRPA) models for the γ -ray strength function, the agreement between experimental data and theoretical predictions could be significantly improved. In addition, deviations from the adopted level scheme were

  1. Measurement of evaporation residue cross-sections of the reaction 30Si + 238U at subbarrier energies

    SciTech Connect

    Nishio, K.; Ikezoe, H.; Mitsuoka, S.; Nagame, Y.; Tsukada, K.; Tsuruta, K.; Hofmann, S.; Hessberger, F. P.; Ackermann, D.; Heinz, S.; Khuyagbaatar, J.; Kindler, B.; Kojouharov, I.; Lommel, B.; Mazzocco, M.; Schoett, H. J.; Antalic, S.; Saro, S.; Comas, V. F.; Heredia, J. A.

    2007-02-26

    The reaction 30Si + 238U {yields} 268Sg* was studied at beam energies close to the Coulomb barrier. At the above barrier energy of Ec.m. = 144.0 MeV (center-of-mass energy at half thickness of the target), we measured three decay chains of 263Sg produced by evaporation of five neutrons. The cross-section was (67{sub -37}{sup +67}) pb. At subbarrier energy of Ec.m. = 133.0 MeV we measured three spontaneously fissioning nuclei which we assigned to the isotope 264Sg. The half-life of (120{sub -44}{sup +126}) ms was determined. The production cross-section was (10{sub -6}{sup +10}) pb, which is about four orders magnitude larger than the calculation based on the one-dimensional barrier penetration model in the fusion process, showing fusion enhancement caused by the prolate deformation of 238U. At Ec.m. = 128.0 MeV an upper cross-section limit of 15 pb was measured. Compared to excitation functions measured for the lighter system 16O + 238U {yields} 254Fm*, a reduction of the fusion probability was observed at low beam energies indicating increasing competition from quasifission processes.

  2. Palladium Catalyst Supported on Zeolite for Cross-coupling Reactions: An Overview of Recent Advances.

    PubMed

    Kumbhar, Arjun

    2017-02-01

    Over the last 30-40 years, Pd-catalyzed C-C bond-forming reactions have gained immense importance for their use in synthesis of biologically and pharmaceutically important organic fragments. Heterogeneous Pd catalysts supported on porous materials, especially zeolites, have many advantages as they have high surface area with tunable acidity and basicity, hydrophobic and hydrophilic character, shape and size selectivity, as well as chemical and thermal stability. They also offer very easy recovery and reusability. This review covers the literature published on the synthesis and characterization of Pd catalysts supported on zeolites and their applications in various organic transformations.

  3. Hordein variation and reaction to powdery mildew in composite cross XLII of barley.

    PubMed

    Danquah, E Y; Barrett, J A

    2002-01-01

    A bulk hybrid population, CCXLII was investigated for hordein variation and reaction to powdery mildew. The results indicated that the population in F4 was genetically variable and contained an appreciable proportion of heterozygotes. Evidence was found for differential viability within families. This was possibly the result of a high segregation load. The pattern of genetic variation suggests that although the population could be a useful source of breeding material for the selection of new lines, it may be risky as a method of conservation of germplasm.

  4. Crossed-beam dynamics studies of the radical-radical combustion reaction O((3)P) + CH3 (methyl).

    PubMed

    Balucani, Nadia; Leonori, Francesca; Bergeat, Astrid; Petrucci, Raffaele; Casavecchia, Piergiorgio

    2011-05-14

    The dynamics of the radical-radical reaction O((3)P) + CH(3), a prototypical case for the reactions of atomic oxygen with alkyl radicals of great relevance in combustion chemistry, has been investigated by means of the crossed molecular beam technique with mass spectrometric detection at a collision energy of 55.9 kJ mol(-1). The results have been examined in the light of previous kinetic and theoretical work. From product angular and velocity distribution measurements, the dynamics of the predominant H-displacement channel leading to formaldehyde formation has been characterized. This channel has been found to proceed via the formation of an osculating complex; a significant coupling between the product centre-of-mass angular and translational energy distributions has been noted. Experimental attempts to characterize the dynamics of the channel leading to HCO + H(2) have failed and it remains unclear whether HCO is formed by the reaction and/or, if formed, a part of HCO does not dissociate quickly into CO + H.

  5. Measurement of the OXYGEN-17(PROTON, Alpha Particle) Nitrogen -14 Cross Section at Stellar Energies (proton Energies, Resonant Reaction)

    NASA Astrophysics Data System (ADS)

    Blackmon, Jeffery Curtis

    The isotopic abundance ratio 16O/17O has been shown to be a good probe of mass flow and mixing in stars. This ratio is sensitive to the depth of convective mixing which occurs on the giant branch and to the amount of nonconvective mixing occurring on the main sequence. The interpretation of recent observations of this ratio in red giants is limited by a large uncertainty in the value of the 17O(p, alpha)14N reaction rate. This reaction rate is dominated at stellar energies by a resonance at E_{rm x} = 5673 keV in the compound nucleus 18 F, whose strength was previously uncertain. We have carried out a measurement of the ^ {17}O(p,alpha)^{14 }N cross section at proton energies of 75 keV and 65 keV. Thick, high-purity rm Ta_2O _5 targets enriched to 77% ^ {17}O were used in conjunction with beam currents of 0.45 mA and large-solid-angle detectors. The background for the experiment was measured using targets of natural isotopic composition. The resonance peak was observed in the data collected at 75 keV, and we determined the proton width of the 5673 keV state to be 22 +/- 4 neV. This implies a rate for the 17O(p,alpha)^ {14}N reaction that is ten times greater than the typical rates used previously in stellar models.

  6. Carbon-supported palladium and ruthenium nanoparticles: application as catalysts in alcohol oxidation, cross-coupling and hydrogenation reactions.

    PubMed

    García-Suárez, Eduardo J; Lara, Patricia; García, Ana B; Philippot, Karine

    2013-11-01

    In the last fifteen-years, the application of metal nanoparticles as catalysts in organic synthesis has received a renewed interest. Therefore, much attention is currently being paid to the synthesis of metal nanoparticles in order to achieve the control of their characteristics in terms of size, shape and surface chemistry. Besides this, the recyclability as well as the recovery from the reaction medium still remain the major drawbacks to widespread the use of nanoparticles in catalysis. To overcome these problems, the immobilization of metal nanoparticles on solid supports appears as a promising alternative. In that context, carbon materials offer several advantages as solid supports such as availability, relatively low cost, high mechanical strength, chemical stability, and a pore structure along with an attractive surface chemistry which allows easy modifications, such as its functionalization, to suit the nanoparticles immobilization needs. Among the transition metals Palladium and Ruthenium are widely employed as efficient catalysts in many reactions. Herein, the most recent advances, from recent papers and patents, in relation to the preparation of carbon-supported Pd or Ru nanoparticles systems as well as their application as catalysts in alcohol oxidation, cross-coupling or hydrogenation reactions, are reviewed.

  7. Palladacycles bearing tridentate CNS-type benzamidinate ligands as catalysts for cross-coupling reactions.

    PubMed

    Wang, Wei-Chi; Peng, Kuo-Fu; Chen, Ming-Tsz; Chen, Chi-Tien

    2012-03-14

    Three pendant benzamidines, [Ph-C(=NC(6)H(5))-{NH(E)}] [E = -(CH(2))(2)SMe (1); -(CH(2))(2)S(t)Bu (2); -o-C(6)H(4)SMe (3)], are described. Reactions of 1, 2 or 3 with one molar equivalent of Pd(OAc)(2) in CH(2)Cl(2) give the palladacyclic complexes, [Ph-C{-NH(η(1)-C(6)H(4))}{=N(E)}]Pd(OAc) [E = -(CH(2))(2)SMe (4); -(CH(2))(2)S(t)Bu (5); -o-C(6)H(4)SMe (6)], as mononuclear palladium complexes respectively. A minor product described as 5', {[Ph-C{-N(C(6)H(5))}{-N(CH(2))(2)S(t)Bu}]Pd(OAc)}(2), was isolated as benzamidinate-bridged dinuclear palladium complex upon recrystallizing from Et(2)O/hexane solution. Treatment of 1, 2 or 3 with one molar equivalent of PdCl(2) in the presence of NEt(3) in CH(2)Cl(2) gives the palladacyclic complexes, [Ph-C{-NH(η(1)-C(6)H(4))}{=N(E)}]PdCl [E = -(CH(2))(2)SMe (7); -(CH(2))(2)S(t)Bu (8); -o-C(6)H(4)SMe (9)], as mononuclear palladium complexes respectively. The crystal and molecular structures are reported for compounds 5, 5' and 6-8. The application of these palladacyclic complexes to the Suzuki and Heck coupling reactions was examined.

  8. Time-Reversal Measurement of the p -Wave Cross Sections of the 7Be (n ,α )4He Reaction for the Cosmological Li Problem

    NASA Astrophysics Data System (ADS)

    Kawabata, T.; Fujikawa, Y.; Furuno, T.; Goto, T.; Hashimoto, T.; Ichikawa, M.; Itoh, M.; Iwasa, N.; Kanada-En'yo, Y.; Koshikawa, A.; Kubono, S.; Miyawaki, E.; Mizuno, M.; Mizutani, K.; Morimoto, T.; Murata, M.; Nanamura, T.; Nishimura, S.; Okamoto, S.; Sakaguchi, Y.; Sakata, I.; Sakaue, A.; Sawada, R.; Shikata, Y.; Takahashi, Y.; Takechi, D.; Takeda, T.; Takimoto, C.; Tsumura, M.; Watanabe, K.; Yoshida, S.

    2017-02-01

    The cross sections of the 7Be (n ,α )4He reaction for p -wave neutrons were experimentally determined at Ec .m .=0.20 - 0.81 MeV slightly above the big bang nucleosynthesis (BBN) energy window for the first time on the basis of the detailed balance principle by measuring the time-reverse reaction. The obtained cross sections are much larger than the cross sections for s -wave neutrons inferred from the recent measurement at the n_TOF facility in CERN, but significantly smaller than the theoretical estimation widely used in the BBN calculations. The present results suggest the 7Be (n ,α )4He reaction rate is not large enough to solve the cosmological lithium problem, and this conclusion agrees with the recent result from the direct measurement of the s -wave cross sections using a low-energy neutron beam and the evaluated nuclear data library ENDF/B-VII.1.

  9. Electronic Absolute Cartesian Autocollimator

    NASA Technical Reports Server (NTRS)

    Leviton, Douglas B.

    2006-01-01

    An electronic absolute Cartesian autocollimator performs the same basic optical function as does a conventional all-optical or a conventional electronic autocollimator but differs in the nature of its optical target and the manner in which the position of the image of the target is measured. The term absolute in the name of this apparatus reflects the nature of the position measurement, which, unlike in a conventional electronic autocollimator, is based absolutely on the position of the image rather than on an assumed proportionality between the position and the levels of processed analog electronic signals. The term Cartesian in the name of this apparatus reflects the nature of its optical target. Figure 1 depicts the electronic functional blocks of an electronic absolute Cartesian autocollimator along with its basic optical layout, which is the same as that of a conventional autocollimator. Referring first to the optical layout and functions only, this or any autocollimator is used to measure the compound angular deviation of a flat datum mirror with respect to the optical axis of the autocollimator itself. The optical components include an illuminated target, a beam splitter, an objective or collimating lens, and a viewer or detector (described in more detail below) at a viewing plane. The target and the viewing planes are focal planes of the lens. Target light reflected by the datum mirror is imaged on the viewing plane at unit magnification by the collimating lens. If the normal to the datum mirror is parallel to the optical axis of the autocollimator, then the target image is centered on the viewing plane. Any angular deviation of the normal from the optical axis manifests itself as a lateral displacement of the target image from the center. The magnitude of the displacement is proportional to the focal length and to the magnitude (assumed to be small) of the angular deviation. The direction of the displacement is perpendicular to the axis about which the

  10. Absolute airborne gravimetry

    NASA Astrophysics Data System (ADS)

    Baumann, Henri

    This work consists of a feasibility study of a first stage prototype airborne absolute gravimeter system. In contrast to relative systems, which are using spring gravimeters, the measurements acquired by absolute systems are uncorrelated and the instrument is not suffering from problems like instrumental drift, frequency response of the spring and possible variation of the calibration factor. The major problem we had to resolve were to reduce the influence of the non-gravitational accelerations included in the measurements. We studied two different approaches to resolve it: direct mechanical filtering, and post-processing digital compensation. The first part of the work describes in detail the different mechanical passive filters of vibrations, which were studied and tested in the laboratory and later in a small truck in movement. For these tests as well as for the airborne measurements an absolute gravimeter FG5-L from Micro-G Ltd was used together with an Inertial navigation system Litton-200, a vertical accelerometer EpiSensor, and GPS receivers for positioning. These tests showed that only the use of an optical table gives acceptable results. However, it is unable to compensate for the effects of the accelerations of the drag free chamber. The second part describes the strategy of the data processing. It is based on modeling the perturbing accelerations by means of GPS, EpiSensor and INS data. In the third part the airborne experiment is described in detail, from the mounting in the aircraft and data processing to the different problems encountered during the evaluation of the quality and accuracy of the results. In the part of data processing the different steps conducted from the raw apparent gravity data and the trajectories to the estimation of the true gravity are explained. A comparison between the estimated airborne data and those obtained by ground upward continuation at flight altitude allows to state that airborne absolute gravimetry is feasible and

  11. Differential cross sections and recoil polarizations for the reaction γp→K+Σ0

    DOE PAGES

    Dey, B.; Meyer, C. A.; Bellis, M.; ...

    2010-08-06

    Here, high-statistics measurements of differential cross sections and recoil polarizations for the reactionmore » $$\\gamma p \\rightarrow K^+ \\Sigma^0$$ have been obtained using the CLAS detector at Jefferson Lab. We cover center-of-mass energies ($$\\sqrt{s}$$) from 1.69 to 2.84 GeV, with an extensive coverage in the $K^+$ production angle. Independent measurements were made using the $$K^{+}p\\pi^{-}$$($$\\gamma$$) and $$K^{+}p$$($$\\pi^-,\\gamma$$) final-state topologies, and were found to exhibit good agreement. Our differential cross sections show good agreement with earlier CLAS, SAPHIR and LEPS results, while offering better statistical precision and a 300-MeV increase in $$\\sqrt{s}$$ coverage. Above $$\\sqrt{s} \\approx 2.5$$ GeV, $t$- and $u$-channel Regge scaling behavior can be seen at forward- and backward-angles, respectively. Our recoil polarization ($$P_\\Sigma$$) measurements represent a substantial increase in kinematic coverage and enhanced precision over previous world data. At forward angles we find that $$P_\\Sigma$$ is of the same magnitude but opposite sign as $$P_\\Lambda$$, in agreement with the static SU(6) quark model prediction of $$P_\\Sigma \\approx -P_\\Lambda$$. This expectation is violated in some mid- and backward-angle kinematic regimes, where $$P_\\Sigma$$ and $$P_\\Lambda$$ are of similar magnitudes but also have the same signs. In conjunction with several other meson photoproduction results recently published by CLAS, the present data will help constrain the partial wave analyses being performed to search for missing baryon resonances.« less

  12. Serologic Cross-Reactions between Nucleocapsid Proteins of Human Respiratory Syncytial Virus and Human Metapneumovirus

    PubMed Central

    Zhang, Yange; Pohl, Jan; Brooks, W. Abdullah

    2015-01-01

    Human respiratory syncytial virus (hRSV) and human metapneumovirus (hMPV) share virologic and epidemiologic features and cause clinically similar respiratory illness predominantly in young children. In a previous study of acute febrile respiratory illness in Bangladesh, we tested paired serum specimens from 852 children presenting fever and cough for diagnostic increases in titers of antibody to hRSV and hMPV by enzyme immunoassay (EIA). Unexpectedly, of 93 serum pairs that showed a ≥4-fold increase in titers of antibody to hRSV, 24 (25.8%) showed a concurrent increase in titers of antibody to hMPV; of 91 pairs showing an increase to hMPV, 13 (14.3%) showed a concurrent increase to hRSV. We speculated that common antigens shared by these viruses explain this finding. Since the nucleocapsid (N) proteins of these viruses show the greatest sequence homology, we tested hyperimmune antisera prepared for each virus against baculovirus-expressed recombinant N (recN) proteins for potential cross-reactivity. The antisera were reciprocally reactive with both proteins. To localize common antigenic regions, we first expressed the carboxy domain of the hMPV N protein that was the most highly conserved region within the hRSV N protein. Although reciprocally reactive with antisera by Western blotting, this truncated protein did not react with hMPV IgG-positive human sera by EIA. Using 5 synthetic peptides that spanned the amino-terminal portion of the hMPV N protein, we identified a single peptide that was cross-reactive with human sera positive for either virus. Antiserum prepared for this peptide was reactive with recN proteins of both viruses, indicating that a common immunoreactive site exists in this region. PMID:25740767

  13. Study of the 15N(p,n)15O reaction as a monoenergetic neutron source for the measurement of differential scattering cross sections

    NASA Astrophysics Data System (ADS)

    Poenitz, E.; Nolte, R.; Schmidt, D.; Chen, G.

    2017-03-01

    The 15N(p,n) reaction is a promising candidate for the production of monoenergetic neutrons with energies of up to 5.7 MeV at the facilities where the T(p,n)3He reaction cannot be used. The characteristic properties of this reaction were studied focusing on its suitability as a source of monoenergetic neutrons for the measurement of differential scattering cross sections in the neutron energy range of 2 MeV to 5 MeV . For this purpose differential and integral cross sections were measured and the choice of optimum target conditions was investigated. The reaction has already been used successfully to measure of elastic and inelastic neutron scattering cross sections for natPb in the energy range from 2 MeV to 4 MeV and for 209Bi and 181Ta at 4 MeV .

  14. Charged Porous Polymers using a Solid C-O Cross-Coupling Reaction

    SciTech Connect

    Zhang, Pengfei; Jiang, Xueguang; Wan, Shun; Dai, Sheng

    2015-07-15

    We report a green, fast, efficient mechanochemical strategy for charged porous polymers (CPPs). A cationic CPP with basic anions and an anionic CPP with Li+ cations were fabricated by solid grinding under solvent- free conditions. Compared with solution-based synthesis, mechanochemical grinding can shorten the reaction time from dozens of hours to several minutes (60– 90 min) to form polymers possessing a high molecular mass and low polydispersity. During the construction of CPPs, a Pd-catalyzed solid polycondensation based on unactivated organic linkers was introduced. In particular, CPPs with basic phenolic or proline anions showed good activity and stability in SO2 capture, and Li+-functionalized CPPs can be post-modified to CPPs with other metal ions by ion exchange, highlighting the tailorable feature of ionic-modified CPPs.

  15. Charged Porous Polymers using a Solid C-O Cross-Coupling Reaction

    DOE PAGES

    Zhang, Pengfei; Jiang, Xueguang; Wan, Shun; ...

    2015-07-15

    We report a green, fast, efficient mechanochemical strategy for charged porous polymers (CPPs). A cationic CPP with basic anions and an anionic CPP with Li+ cations were fabricated by solid grinding under solvent- free conditions. Compared with solution-based synthesis, mechanochemical grinding can shorten the reaction time from dozens of hours to several minutes (60– 90 min) to form polymers possessing a high molecular mass and low polydispersity. During the construction of CPPs, a Pd-catalyzed solid polycondensation based on unactivated organic linkers was introduced. In particular, CPPs with basic phenolic or proline anions showed good activity and stability in SO2 capture,more » and Li+-functionalized CPPs can be post-modified to CPPs with other metal ions by ion exchange, highlighting the tailorable feature of ionic-modified CPPs.« less

  16. Direct measurement of the 4He (12C, 16O) γ reaction cross section near stellar energies

    NASA Astrophysics Data System (ADS)

    Sagara, Kenshi

    2014-09-01

    The 12C+4He-->16O + γ reaction is one of the key reactions in stellar He-burning, but its total cross section at stellar energy (Ecm = 0.3 MeV) has not been measured yet, in spite of many experiments made in the world for about a half century. At Kyushu University Tandem accelerator Laboratory (KUTL), we have been making direct measurement of the 4He (12C, 16O) γ total cross section below Ecm = 2.4 MeV for about 20 years. We have measured the total cross section at Ecm = 2.4, 1.5 and 1.2 MeV. Now we are preparing to measure the cross section at 1.0 MeV. The direct measurement was made from Ecm = 5 MeV down to 1.9 MeV at Ruhr University, Bochum. We use a pulsed 12C beam and a windowless 4He target, and detect all the 16O recoils in a charge state. A usually continuum 12C beam from our tandem accelerator is pulsed by a pre-buncher, a main buncher, and a beam chopper. Our tandem accelerator was designed to be used at the acceleration voltage of 6-10 MV. For the 4He (12C, 16O) γ experiment we need to use it at 1.3-1.8 MV where beam transmission is very low, then we have invented an acceleration-deceleration method for the tandem accelerator. We have developed a blow-in windowless He target based on an original idea. To separate 16O recoils from the 12C beam, we developed a recoil-mass separator. To reject 12C backgrounds, we developed a long-time chopper, and an ionization chamber. Now, we are preparing to measure time-of-flight of 16O recoils and 12C backgrounds. Many original instruments and the experimental results will be presented. Finally we discuss what are necessary for future direct measurement of the 4He (12C, 16O) γ total cross section below 1.0 MeV, down to 0.7 MeV. A dynamitron accelerator and hard-working researchers may be inevitable. The 12C+4He-->16O + γ reaction is one of the key reactions in stellar He-burning, but its total cross section at stellar energy (Ecm = 0.3 MeV) has not been measured yet, in spite of many experiments made in the world

  17. Absolute-structure reports.

    PubMed

    Flack, Howard D

    2013-08-01

    All the 139 noncentrosymmetric crystal structures published in Acta Crystallographica Section C between January 2011 and November 2012 inclusive have been used as the basis of a detailed study of the reporting of absolute structure. These structure determinations cover a wide range of space groups, chemical composition and resonant-scattering contribution. Defining A and D as the average and difference of the intensities of Friedel opposites, their level of fit has been examined using 2AD and selected-D plots. It was found, regardless of the expected resonant-scattering contribution to Friedel opposites, that the Friedel-difference intensities are often dominated by random uncertainty and systematic error. An analysis of data collection strategy is provided. It is found that crystal-structure determinations resulting in a Flack parameter close to 0.5 may not necessarily be from crystals twinned by inversion. Friedifstat is shown to be a robust estimator of the resonant-scattering contribution to Friedel opposites, very little affected by the particular space group of a structure nor by the occupation of special positions. There is considerable confusion in the text of papers presenting achiral noncentrosymmetric crystal structures. Recommendations are provided for the optimal way of treating noncentrosymmetric crystal structures for which the experimenter has no interest in determining the absolute structure.

  18. Barrier crossing with concentration boundary conditions in biological channels and chemical reactions

    NASA Astrophysics Data System (ADS)

    Barcilon, Victor; Chen, Duanpin; Eisenberg, Robert S.; Ratner, Mark A.

    1993-01-01

    Ions move into biological cells through pores in proteins called ionic channels, driven by gradients of potential and concentration imposed across the channel, impeded by potential barriers and friction within the pore. It is tempting to apply to channels the chemical theory of barrier crossing, but important issues must first be solved: Concentration boundary conditions must be used and flux must be predicted for applied potentials of all sizes and for barriers of all shapes, in particular, for low barriers. We use a macroscopic analysis to describe the flux as a convolution integral of a mathematically defined adjoint function, a Green's function. It so happens that the adjoint function also describes the first-passage time of a single particle moving between boundary conditions independent of concentration. The (experimentally observable) flux is computed from analytical formulas, from simulations of discrete random walks, and from simulations of the Langevin or reduced Langevin equations, with indistinguishable results. If the potential barrier has a single, large, parabolic peak, away from either boundary, an approximate expression reminiscent of Kramers' formula can be used to determine the flux. The fluxes predicted can be compared with measurements of current through single channels under a wide range of experimental conditions.

  19. Low-energy cross sections in the {sup 12}C({alpha},{gamma}){sup 16}O reaction

    SciTech Connect

    Katsuma, M.

    2008-09-15

    The low-energy {sup 12}C({alpha},{gamma}){sup 16}O reaction is analyzed with the potential model. The potentials are chosen from the deep potential describing the {alpha}-particle nuclear rainbow phenomena at high energies. Below E{sub c.m.}=1 MeV, the cross section is found to be dominated by the E2 transition to the ground state of {sup 16}O. No enhancement of the E1 component at low energies is predicted. The extrapolated astrophysical S-factors at E{sub c.m.}=0.3 MeV are S{sub E2}=150 keV b and S{sub E1}=3 keV b.

  20. Total and partial capture cross sections in reactions with deformed nuclei at energies near and below the Coulomb barrier

    SciTech Connect

    Kuzyakin, R. A. Sargsyan, V. V.; Adamian, G. G.; Antonenko, N. V.

    2013-06-15

    Within the quantum diffusion approach, the capture of a projectile nucleus by a target nucleus is studied at bombarding energies above and below the Coulomb barrier. The effects of deformation of interacting nuclei and neutron transfer between them on the total and partial capture cross sections and the mean angular momentum of the captured system are studied. The results obtained for the {sup 16}O + {sup 112}Cd, {sup 152}Sm, and {sup 184}W; {sup 19}F +{sup 175}Lu; {sup 28}Si +{sup 94,100}Mo and {sup 154}Sm; {sup 40}Ca +{sup 96}Zr; {sup 48}Ca+ {sup 90}Zr; and {sup 64}Ni +{sup 58,64}Ni, {sup 92,96}Zr, and {sup 100}Mo reactions are in good agreement with available experimental data.

  1. {sup 7,9,10}Be elastic scattering and total reaction cross sections on a {sup 12}C target

    SciTech Connect

    Zamora, J. C.; Guimaraes, V.; Barioni, A.; Lepine-Szily, A.; Lichtenthaeler, R.; Faria, P. N. de; Mendes, D. R. Jr.; Gasques, L. R.; Scarduelli, V.; Pires, K. C. C.; Morcelle, V.; Leistenschneider, E.; Condori, R. P.; Zagatto, V. A.; Morais, M. C.; Crema, E.; Shorto, J. M. B.

    2011-09-15

    Elastic scattering angular distributions for {sup 7}Be, {sup 9}Be, and {sup 10}Be isotopes on {sup 12}C target were measured at laboratory energies of 18.8, 26.0, and 23.2 MeV, respectively. The analysis was performed in terms of optical model potentials using Woods-Saxon and double-folding form factors. Also, continuum discretized coupled-channels calculations were performed for {sup 7}Be and {sup 9}Be + {sup 12}C systems to infer the role of breakup in the elastic scattering. For the {sup 10}Be + {sup 12}C system, bound states coupled-channels calculations were considered. Moreover, total reaction cross sections were deduced from the elastic scattering analysis and compared with published data on other weakly and tightly bound projectiles elastically scattered on the {sup 12}C target, as a function of energy.

  2. Evaporation residue cross sections for the {sup 64}Ni + {sup 144,154}Sm reaction -- Energy dissipation in hot nuclei

    SciTech Connect

    Back, B.B.; Blumenthal, D.J.; Davids, C.N.

    1995-08-01

    The fission hindrance of hot nuclei was deduced recently from an enhanced emission of GDR {gamma} rays, neutrons and charged particles prior to scission of heavy nuclei. In the most recent experiments addressing this topic, namely new measurements of the pre-scission {gamma} rays and evaporation residues from the {sup 32}S + {sup 184}W reaction, a rather sharp transition from negligible to full one-body dissipation occurs over the excitation energy region E{sub exc} = 60-100 MeV. However, the cross section does not appear to level out or start to decline again at the upper end of the energy range as expected in this interpretation. It is therefore clearly desirable to extend the excitation energy range to look for such an effect in order to either corroborate or refute this interpretation.

  3. Functionalization of Hydrogenated Graphene: Transition-Metal-Catalyzed Cross-Coupling Reactions of Allylic C-H Bonds.

    PubMed

    Chua, Chun Kiang; Sofer, Zdeněk; Pumera, Martin

    2016-08-26

    The chemical functionalization of hydrogenated graphene can modify its physical properties and lead to better processability. Herein, we describe the chemical functionalization of hydrogenated graphene through a dehydrogenative cross-coupling reaction between an allylic C-H bond and the α-C-H bond of tetrahydrothiophen-3-one using Cu(OTf)2 as the catalyst and DDQ as the oxidant. The chemical functionalization was confirmed by X-ray photoelectron spectroscopy and Fourier transform infrared spectroscopy and visualized by scanning electron microscopy. The functionalized hydrogenated graphene material demonstrated improved dispersion stability in water, bringing new quality to the elusive hydrogenated graphene (graphane) materials. Hydrogenated graphene provides broad possibilities for chemical modifications owing to its reactivity.

  4. Activation cross-sections of proton induced reactions on vanadium in the 37-65 MeV energy range

    NASA Astrophysics Data System (ADS)

    Ditrói, F.; Tárkányi, F.; Takács, S.; Hermanne, A.

    2016-08-01

    Experimental excitation functions for proton induced reactions on natural vanadium in the 37-65 MeV energy range were measured with the activation method using a stacked foil irradiation technique. By using high resolution gamma spectrometry cross-section data for the production of 51,48Cr, 48V, 48,47,46,44m,44g,43Sc and 43,42K were determined. Comparisons with the earlier published data are presented and results predicted by different theoretical codes (EMPIRE and TALYS) are included. Thick target yields were calculated from a fit to our experimental excitation curves and compared with the earlier experimental yield data. Depth distribution curves to be used for thin layer activation (TLA) are also presented.

  5. Detection of helicobacter pylori in benign laryngeal lesions by polymerase chain reaction: a cross sectional study

    PubMed Central

    2012-01-01

    Background Although Helicobacter Pylori (HP) was detected in some cases of chronic laryngitis, the results were not confirmed by polymerase chain reaction (PCR). By this time, it has not been found in laryngeal lesions by in house PCR, the most sensitive method for detecting the genome tracks. Regarding the previous results and also few numbers of studies about the presence of HP in benign laryngeal lesions, specifically by PCR, we aimed to investigate the presence of HP in benign laryngeal lesions by in-house PCR. Methods The samples were taken from 55 patients with benign laryngeal lesions and frozen in −20°C. One milliliter (ml) of lysis buffer was added to 100 mg (mg) of each sample and the tube was placed in 56°C overnight. Then DNA extraction was carried out. Results To find HP DNA, in-house PCR was performed that revealed 5 positive results among 55 patients with benign laryngeal lesions. Of them, 3 were polyp, 1 was nodule and 1 was papilloma. Conclusion Although the number of positive results was not a lot in this study, it was in contrast with previous studies which could not find any HP tracks in benign laryngeal lesions by other methods. More studies about the prevalence of HP in benign laryngeal lesions improve judging about the effect of this infection on benign laryngeal lesions. PMID:22515206

  6. Actomyosin content of Physarum plasmodia and detection of immunological cross-reactions with myosins from related species

    PubMed Central

    1976-01-01

    The content of myosin in plasmodia of the myxomycete Physarum polycephalum was measured by an immunological technique, quantitative microcomplement (C') fixation. Migrating plasmodia (starved after growth on rolled oats) contained 0.60 +/- 0.08 (SD) mg myosin per g fresh plasmodia. Myosin comprised 0.77% +/- 0.05 (SD) of the total plasmodial protein. When total plasmodial proteins were separated by electrophoresis on SDS-polyacrylamide gels, a large amount of protein appeared in a band comigrating with muscle actin. Densitometry performed after Coomassie blue staining indicated that as much as 15- 25% of the total protein in the plasmodium could be actin. This gives an actin/myosin ratio by weight in the myxomycete plasmodium as high as 19-33, a very "actin-rich" actomyosin compared with rabbit skeletal muscle actomyosin with an actin/myosin ratio of 0.6. Starvation stimulates rapid migration and is correlated with a higher percent of both myosin and actin in the total protein of the plasmodium compared with normally growing cultures. Immunological cross-reaction of myosins from a variety of species was measured by C' fixation using an antiserum produced against purified native myosin from P. polycephalum. Although myxomycete and vertebrate striated muscle myosins have very similar morphological and biochemical properties, and apparently possess similar binding properties to F-actin, only myosins from myxomycetes in the order Physarales, rather closely related to P. polycephalum, gave detectable cross-reactions. This finding suggests that many amino acid sequences in myosin have been variable during evolution. PMID:944188

  7. Gamma-ray production cross sections in multiple channels for neutron induced reaction on 48Ti for En=1 to 200 MeV

    SciTech Connect

    Dashdorj, D; Mitchell, G E; Garrett, P E; Agvaanluvsan, U; Becker, J A; Bernstein, L A; Chadwick, M B; Devlin, M; Fotiades, N; Kawano, T; Nelson, R O; Younes, W

    2006-07-06

    Prompt {gamma}-ray production cross sections were measured on a {sup 48}Ti sample for incident neutron energies from 1 MeV to 200 MeV. Partial {gamma}-ray cross sections for transitions in {sup 45-48}Ti, {sup 45-48}Sc, and {sup 43-45}Ca were determined. The observation of about 130 transitions from 11 different isotopes in the present work provides a demanding test of reaction model calculations, and is the first study in this mass region to extract partial {gamma}-ray cross sections for many different reaction channels over a wide range of incident neutron energies. The neutrons were produced by the Los Alamos National Laboratory spallation neutron source located at the LANSCE/WNR facility. The prompt-reaction {gamma} rays were detected with the large-scale Compton-suppressed GErmanium Array for Neutron Induced Excitations (GEANIE). Event neutron energies were determined by the time-of-flight technique. The {gamma}-ray excitation functions were converted to partial {gamma}-ray cross sections and then compared with model calculations using the enhanced GNASH reaction code. Compound nuclear, pre-equilibrium emission and direct reaction mechanisms are included. Overall the model calculations of the partial {gamma}-ray cross sections are in good agreement with measured values.

  8. (n,2n) and (n,3n) cross sections of neutron-induced reactions on 150Sm for En from threshold to 35 MeV

    SciTech Connect

    Dashdorj, D; Mitchell, G; Kawano, T; Becker, J; Wu, C; Devlin, M; Fotiades, N; Nelson, R; Kunieda, S

    2009-03-16

    Cross-section measurements were made of prompt discrete {gamma}-ray production as a function of incident neutron energy (E{sub n} = 1 to 35 MeV) on a {sup 150}Sm sample fo 1550 mg/cm{sup 2} of Sm{sub 2}O{sub 3} enriched to 95.6% in {sup 150}Sm. Results are compared with enhanced Hauser-Feshbach model calculations including the pre-equilibrium reactions. Energetic neutrons were delivered by the Los Alamos Neutron Science Center facility. The prompt-reaction {gamma} rays were detected with the Compton-suppressed Germanium Array for Neutron Induced Excitations (GEANIE). Incident neutron energies were determined by the time-of-flight technique. Excitation functions for thirteen individual {gamma}-rays up to E{sub x} = 0.8 MeV in {sup 149}Sm and one {gamma}-ray transition between the first excited and ground state in {sup 148}Sm were measured. Partial {gamma}-ray cross sections were calculated using GNASH, an enhanced Hauser-Feshbach statistical nuclear reaction model code, and compared with the experimental results. The particle transmission coefficients were calculated with new systematic 'global' optical model potential parameters. The coupled-channel optical model based on the soft rotor model was employed to calculate the particle transmission coefficients. The pre-equilibrium part of the spin distribution in {sup 150}Sm was calculated using the quantum mechanical theory of Feshbach, Kerman, and Koonin (FKK) and incorporated into the GNASH reaction model code. the partial cross sections for discrete {gamma}-ray cascade paths leading to the ground state in {sup 149}Sm and {sup 148}Sm have been summed (without double counting) to estimate lower limits for reaction cross sections. These lower limits are combined with Hauser-Feshbach model calculations to deduce the reaction channel cross sections. These reaction channel cross sections agree with previously measured experimental and ENDF/B-VII evaluations.

  9. A design-of-experiments approach for the optimization and understanding of the cross-metathesis reaction of methyl ricinoleate with methyl acrylate.

    PubMed

    Ho, Thao T T; Jacobs, Tina; Meier, Michael A R

    2009-01-01

    A design-of-experiments approach for the investigation of the cross-metathesis of methyl ricinoleate with methyl acrylate is described. Two second-generation metathesis initiators were studied using different reaction conditions, revealing optimal reaction conditions for each catalyst. Interestingly, the two catalysts showed completely different temperature response profiles. As a result of these investigations, suitable reaction conditions for the sustainable production of two value-added chemical intermediates were derived. Moreover, the design-of-experiments approach provided valuable information for a thorough understanding of catalytic reactions that would be more difficult to obtain by classic approaches.

  10. Absolute Equilibrium Entropy

    NASA Technical Reports Server (NTRS)

    Shebalin, John V.

    1997-01-01

    The entropy associated with absolute equilibrium ensemble theories of ideal, homogeneous, fluid and magneto-fluid turbulence is discussed and the three-dimensional fluid case is examined in detail. A sigma-function is defined, whose minimum value with respect to global parameters is the entropy. A comparison is made between the use of global functions sigma and phase functions H (associated with the development of various H-theorems of ideal turbulence). It is shown that the two approaches are complimentary though conceptually different: H-theorems show that an isolated system tends to equilibrium while sigma-functions allow the demonstration that entropy never decreases when two previously isolated systems are combined. This provides a more complete picture of entropy in the statistical mechanics of ideal fluids.

  11. Cross sections for proton-induced reactions on Pd isotopes at energies relevant for the {gamma} process

    SciTech Connect

    Dillmann, I.; Coquard, L.; Domingo-Pardo, C.; Kaeppeler, F.; Marganiec, J.; Uberseder, E.; Giesen, U.; Heiske, A.; Feinberg, G.; Hentschel, D.; Hilpp, S.; Leiste, H.; Rauscher, T.; Thielemann, F.-K.

    2011-07-15

    Proton-activation reactions on natural and enriched palladium samples were investigated via the activation technique in the energy range of E{sub p}=2.75-9 MeV, close to the upper end of the respective Gamow window of the {gamma} process. We have determined cross sections for {sup 102}Pd(p, {gamma}){sup 103}Ag, {sup 104}Pd(p, {gamma}){sup 105}Ag, and {sup 105}Pd(p, n){sup 105}Ag, as well as partial cross sections of {sup 104}Pd(p, n){sup 104}Ag{sup g}, {sup 105}Pd(p, {gamma}){sup 106}Ag{sup m}, {sup 106}Pd(p, n){sup 106}Ag{sup m}, and {sup 110}Pd(p, n){sup 110}Ag{sup m} with uncertainties between 3% and 15% for constraining theoretical Hauser-Feshbach rates and for direct use in {gamma}-process calculations.

  12. Discrete kinetic and lattice Boltzmann formulations for reaction cross-diffusion systems and their hyperbolic extensions in chemotaxis

    NASA Astrophysics Data System (ADS)

    Dellar, Paul

    2016-11-01

    We present discrete kinetic and lattice Boltzmann formulations for reaction cross-diffusion systems, as commonly used to model microbiological chemotaxis and macroscopic predator-prey interactions, and their hyperbolic extensions with fluid-like persistence terms. For example, the canonical Patlak-Keller-Segal model for chemotaxis involves a flux of cells up the gradient of a chemical secreted by the cells, in addition to the usual down-gradient diffusive fluxes. Existing lattice Boltzmann approaches for such systems use finite difference approximations to compute the flux of cells due to the chemical gradient. The resulting coupling between, and necessary synchronisation of the evolution of, adjacent grid points greatly complicates boundary conditions, and efficient implementation on graphical processing units (GPUs). We present a kinetic formulation using cross-collisions between bases of moments for the two sets of distribution functions to couple the fluxes of the two species, from which we construct lattice Boltzmann algorithms using second-order Strang splitting. We demonstrate an efficient GPU implementation, and verify second-order spatial convergence towards spectral solutions for benchmark problems such as the finite-time blow-up in the Patlak-Keller-Segal model.

  13. Investigation of 14-15 MeV ( n, t) Reaction Cross-sections by Using New Evaluated Empirical and Semi-empirical Systematic Formulas

    NASA Astrophysics Data System (ADS)

    Tel, E.; Aydın, A.; Kaplan, A.; Şarer, B.

    2008-09-01

    In the hybrid reactor, tritium self-sufficiency must be maintained for a commercial power plant. For self-sustaining (D-T) fusion driver tritium breeding ratio should be greater than 1.05. Working out the systematics of ( n, t) reaction cross-sections are of great importance for the definition of the excitation function character for the given reaction taking place on various nuclei at energies up to 20 MeV. In this study we have investigated asymmetry term effect for the ( n, t) reaction cross-sections at 14-15 neutron incident energy. It has been discussed the odd-even effect and the pairing effect considering binding energy systematic of the nuclear shell model for the new experimental data and new cross-sections formulas ( n, t) reactions developed by Tel et al. We have determined a different parameter groups by the classification of nuclei into even-even, even-odd and odd-even for ( n, t) reactions cross-sections. The obtained empirical and semi-empirical formulas by fitting two parameter for ( n, t) reactions were given. All calculated results have been compared with the experimental data and the other semi-empirical formulas.

  14. Absolute multilateration between spheres

    NASA Astrophysics Data System (ADS)

    Muelaner, Jody; Wadsworth, William; Azini, Maria; Mullineux, Glen; Hughes, Ben; Reichold, Armin

    2017-04-01

    Environmental effects typically limit the accuracy of large scale coordinate measurements in applications such as aircraft production and particle accelerator alignment. This paper presents an initial design for a novel measurement technique with analysis and simulation showing that that it could overcome the environmental limitations to provide a step change in large scale coordinate measurement accuracy. Referred to as absolute multilateration between spheres (AMS), it involves using absolute distance interferometry to directly measure the distances between pairs of plain steel spheres. A large portion of each sphere remains accessible as a reference datum, while the laser path can be shielded from environmental disturbances. As a single scale bar this can provide accurate scale information to be used for instrument verification or network measurement scaling. Since spheres can be simultaneously measured from multiple directions, it also allows highly accurate multilateration-based coordinate measurements to act as a large scale datum structure for localized measurements, or to be integrated within assembly tooling, coordinate measurement machines or robotic machinery. Analysis and simulation show that AMS can be self-aligned to achieve a theoretical combined standard uncertainty for the independent uncertainties of an individual 1 m scale bar of approximately 0.49 µm. It is also shown that combined with a 1 µm m‑1 standard uncertainty in the central reference system this could result in coordinate standard uncertainty magnitudes of 42 µm over a slender 1 m by 20 m network. This would be a sufficient step change in accuracy to enable next generation aerospace structures with natural laminar flow and part-to-part interchangeability.

  15. Cross-reactions in specific Brachyspira spp. PCR assays caused by "Brachyspira hampsonii" isolates: implications for detection.

    PubMed

    Aller-Morán, Luis M; Martínez-Lobo, F Javier; Rubio, Pedro; Carvajal, Ana

    2016-11-01

    An emerging novel spirochete in swine, provisionally designated "Brachyspira hampsonii," has been detected worldwide. It has been associated with swine dysentery and cannot be differentiated from B. hyodysenteriae, the classical etiologic agent of this disease, using standard phenotypic methods. We evaluated cross-reactions of "B. hampsonii" isolates recovered from avian species in some of the currently available species-specific polymerase chain reaction (PCR) assays for the identification of swine Brachyspira species. Ten avian "B. hampsonii" isolates recovered from wild waterfowl were used. No false-positive results were recorded with a B. pilosicoli-specific PCR based on the amplification of a fragment of the 16S rRNA gene. However, the percentage of false-positive results varied, with a range of 10-80%, in the evaluated B. hyodysenteriae-specific assays based on the amplification of the 23S rRNA, nox, and tlyA genes. Similarly, results of the B. intermedia-specific PCR assays yielded poor specificity, with up to 80% of the "B. hampsonii" isolates tested giving false-positive results. Finally, 2 "B. hampsonii" avian isolates yielded a positive result in a B. innocens- and B. murdochii-specific PCR. This result should be interpreted very cautiously as these 2 isolates could represent a recombinant genotype.

  16. Extension of activation cross-section data of deuteron induced nuclear reactions on cadmium up to 50 MeV

    NASA Astrophysics Data System (ADS)

    Hermanne, A.; Tárkányi, F.; Takács, S.; Ditrói, F.

    2016-10-01

    The excitation functions for 109,110g,111m+g,113m,114m,115mIn, 107,109,115m,115gCd and 105g,106m,110g,111Ag are presented for stacked foil irradiations on natCd targets in the 49-33 MeV deuteron energy domain. Reduced uncertainty is obtained by determining incident particle flux and energy scale relative to re-measured monitor reactions natAl(d,x)22,24Na. The results were compared to our earlier studies on natCd and on enriched 112Cd targets. The merit of the values predicted by the TALYS 1.6 code (resulting from a weighted combination of reaction cross-section data on all stable Cd isotopes as available in the on-line libraries TENDL-2014 and TENDL-2015) is discussed. Influence on optimal production routes for several radionuclides with practical applications (111In, 114mIn, 115Cd, 109,107Cd….) is reviewed.

  17. Novel 4π Detection System for the Measurement of the 6Li(n,α)3H Reaction Cross Section

    NASA Astrophysics Data System (ADS)

    Giorginis, Georgios; Bencardino, Raffaele

    2011-12-01

    A dedicated one-dimensional Time Projection Chamber (1D-TPC) was designed and produced at IRMM to determine the 6Li(n,α)3H cross section in the 0.4-2.8 MeV energy range, aiming at 5% accuracy. The basic TPC components were a twin gridded ionisation chamber (GIC) with interwired electrodes and fast digitisation of the anode and cathode signals. The energy of both reaction products emitted from a thin 6LiF sample at the common TPC cathode was measured. A Kr(97%)CO2(3%) mixture was used as the detector gas at a pressure up to 3.5 bar. A 238U sample mounted on the cathode of an ionisation chamber without grid was used as the neutron flux monitor. Special care was taken to reduce the experimental sources of uncertainty. The beam-monitor 238U sample was characterised at IRMM by low-geometry α-counting with an accuracy of 0.1%. A 6Li sample was produced at IRMM by vacuum evaporation of 6LiF onto transparent aluminium backing. The number of 6Li atoms will be measured via Thermal Neutron Depth Profiling with an expected accuracy of 2% with respect to an IRMM Standard Reference Material. First test measurements were performed using a monoenergetic neutron beam produced by the T(p,n)3He reaction at the IRMM 7 MV Van de Graaff accelerator. The experimental method and preliminary results are presented.

  18. New Evaluated Semi-Empirical Formula Using Optical Model for 14-15 MeV ( n, t) Reaction Cross Sections

    NASA Astrophysics Data System (ADS)

    Tel, E.; Durgu, C.; Aydın, A.; Bölükdemir, M. H.; Kaplan, A.; Okuducu, Ş.

    2009-12-01

    In the next century the world will face the need for new energy sources. Nuclear fusion can be one of the most attractive sources of energy from the viewpoint of safety and minimal environmental impact. Fusion will not produce CO2 or SO2 and thus will not contribute to global warming or acid rain. Achieving acceptable performance for a fusion power system in the areas of economics, safety and environmental acceptability, is critically dependent on performance of the blanket and diverter systems which are the primary heat recovery, plasma purification, and tritium breeding systems. Tritium self-sufficiency must be maintained for a commercial power plant. The hybrid reactor is a combination of the fusion and fission processes. For self-sustaining (D-T) fusion driver tritium breeding ratio should be greater than 1.05. So working out the systematics of ( n, t) reaction cross-sections are of great importance for the definition of the excitation function character for the given reaction taking place on various nuclei at energies up to 20 MeV. In this study, we have calculated non-elastic cross-sections by using optical model for ( n, t) reactions at 14-15 MeV energy. We have investigated the excitation function character and reaction Q-values depending on the asymmetry term effect for the ( n, t) reaction cross-sections. We have obtained new coefficients for the ( n, t) reaction cross-sections. We have suggested semi-empirical formulas including optical model nonelastic effects by fitting two parameters for the ( n, t) reaction cross-sections at 14-15 MeV. We have discussed the odd-even effect and the pairing effect considering binding energy systematic of the nuclear shell model for the new experimental data and new cross-sections formulas ( n, t) reactions developed by Tel et al. We have determined a different parameter groups by the classification of nuclei into even-even, even-odd and odd-even for ( n, t) reactions cross-sections. The obtained cross-section formulas

  19. Experimental cross-sections of deuteron-induced reaction on 89Y up to 20 MeV; comparison of natTi(d,x)48V and 27Al(d,x)24Na monitor reactions

    NASA Astrophysics Data System (ADS)

    Lebeda, Ondřej; Štursa, Jan; Ráliš, Jan

    2015-10-01

    We measured cross-sections of the deuteron-induced reactions on 89Y in the energy range of 3.9-19.5 MeV. Excitation functions for formation of 88Zr, 89mZr, 89Zr, 88Y, 90mY and 87mSr were determined and compared with previously published data and prediction of the TALYS code. Thick target yields for production of 88Zr, 89Zrcum, 88Y, 90mY and 87mSr were calculated from the measured cross-sections. Achievable activity versus radionuclidic purity of medically relevant 89Zr is discussed and compared with the production via the 89Y(p,n) reaction. Parallel use of titanium and aluminium beam monitors revealed systematic difference between the recommended cross-sections of both monitoring reactions and provided new cross-section data for formation of 24Na, 27Mg, 43Sc, 44mSc, 44Sc, 46Sc, 47Sc and 48Sc. The cross-sections for the natTi(d,x)46Sc reactions agree very well with recently proposed recommended values.

  20. Fully converged integral cross sections of collision induced dissociation, four-center, and single exchange reactions, and accuracy of the centrifugal sudden approximation in H2 + D2 reaction.

    PubMed

    Song, Hongwei; Lu, Yunpeng; Lee, Soo-Y

    2012-03-21

    The initial state selected time-dependent wave packet method was employed to calculate the integral cross sections for the H(2) + D(2) reaction with and without the centrifugal sudden (CS) approximation by including all important K (the projection of the total angular momentum on the body-fixed axis) blocks. With a full-dimensional model, the first fully converged coupled-channel (CC) cross sections for different competitive processes from the ground rotational state were obtained: collision induced dissociation (CID), four-center (4C) reaction and single exchange (SE) reaction. The effect of the total angular momentum J on the reaction dynamics of H(2) + D(2) and the accuracy of the CS approximation have also been studied. It was found that the CID and SE processes occur in a wide range of J values while the 4C process can only take place in a narrow window of J values. For this reason, the CC cross section for the 4C channel is merely comparable to the SE channel. A comparison of the integral cross sections from CC and CS calculations showed that the CS approximation works well for the CID process but not for the 4C and SE processes, and the discrepancy between the CC and CS cross sections grows larger as the translational energy and/or the vibrational energy increase(s).