Science.gov

Sample records for study fragmentation reactions

  1. Studies of complex fragment emission in heavy ion reactions

    SciTech Connect

    Charity, R.J.; Sobotka, L.G.

    1992-01-01

    Our work involves the study of intermediate energy heavy-ion nuclear reactions. This work has two foci. On the one hand, we desire to learn about the properties of nuclear matter under abnormal conditions, in this energy domain, predominately low densities. This purpose runs abreast of the second, which is the study of the relevant reaction mechanisms. The two objectives are inexorably linked because our experimental laboratory for studying nuclear matter properties is a dynamic one. We are forced to ask how nuclear matter properties, such as phase transitions, are reflected in the dynamics of the reactions. It may be that irrefutable information about nuclear matter will not be extracted from the reaction work. Nevertheless, we are compelled to undertake this effort not only because it is the only game in town and as yet we do not know that information cannot be extracted, but also because of our second objective. The process leads to an understanding of the reaction mechanism themselves and therefore to the response characteristics of finite, perhaps non-equilibrium, strongly interacting systems. Our program has been: To study energy, mass, and angular momentum deposition by studying incomplete fusion reactions. To gain confidence that we understand how highly excited systems decompose by studying all emissions from the highly excited systems. To push these kinds of studies into the intermediate energy domain, with excitation function studies. And attempt to learn about the dynamics of the decays using particle-particle correlations. In the last effort, we have decided to focus on simple systems, where we believe, definitive statements are possible. These avenues of research share a common theme, large complex fragment production.

  2. MALDI-TOF/TOF CID Study of Poly(1,4-dihydroxybenzene terephthalate) Fragmentation Reactions

    PubMed Central

    Gies, Anthony P.; Stow, Sarah M.; McLean, John A.; Hercules, David M.

    2015-01-01

    MALDI-TOF/TOF collision-induced dissociation (CID) experiments were conducted on model aromatic polyester oligomers. CID fragmentation studies identified initial fracture of the ester bond and subsequent CO loss as a major pathway, consistent with the general fragmentation mechanism used to explain the origin of poly(p-phenylenediamine terephthalamide) (PPD-T) fragment ions. Specifically, both charge-remote and charge-site fragmentation were observed. Different parent-ion species were observed, the major ones being carboxyl-hydroxyl, di-carboxyl, di-hydroxyl, and phenyl-carboxyl terminated. One species observed was hydroxyl-diethylamine terminated caused by reaction of carboxyl groups with triethylamine added to the synthesis reaction mixture. Fragment ions reflected the end groups of the parent oligomers. Some MALDI fragment-ion spectra were obtained for species showing exchange between Li and H at the carboxyl end group. Bond energy calculations provide further insight into suggested fragmentation mechanisms. PMID:26195848

  3. Fragment emission studies in low energy light heavy-ion reactions

    NASA Astrophysics Data System (ADS)

    Rana, T. K.; Bhattacharya, C.; Manna, S.; Srivastava, V.; Banerjee, K.; Kundu, S.; Roy, P.; Pandey, R.; Chaudhuri, A.; Roy, T.; Ghosh, T. K.; Mukherjee, G.; Bhattacharya, S.; Meena, J. K.; Pandit, S. K.; Mahata, K.; Patale, P.; Shrivastava, A.; Nanal, V.

    2015-01-01

    Fragment emission mechanisms have been studied in 12C on 12C and 13C on 12C reactions at same excitation energy. The inclusive energy distributions of the complex fragments (3≤ Z ≤ 5) emitted from the composite system have been measured in the angular range 14° to 36°. The present experiments have been performed with the motivation to study the isotopic dependence of fragment yields in these two reactions. From the preliminary analysis, it has been observed that fragments are emitted from a completely equilibrated and long lived composite system for both 12C + 12C and 13C + 12C reactions. It has also been observed that the emission of neutron-rich fragments are more in 13C + 12C compared to 12C + 12C reaction.

  4. Study of projectile fragmentation reaction with isochronous mass spectrometry

    NASA Astrophysics Data System (ADS)

    Tu, X. L.; Mei, B.; Zhang, Y. H.; Xu, H. S.; Litvinov, Yu A.; Huang, W. J.; Podolyak, Z.; Kelic-Heil, A.; Zhang, W.; Litvinov, S. A.; Blaum, K.; Zhou, X. H.; Shuai, P.; Wang, M.; Gao, B. S.; Chen, X. C.; Yuan, Y. J.; Xia, J. W.; Yang, J. C.; Hu, Z. G.; Ma, X. W.; Sun, B. H.; Yan, X. L.; Mao, R. S.; Sun, Z. Y.; Xiao, G. Q.; Xu, X.; Walker, P. M.; Yamaguchi, T.; Bosch, F.; Winckler, N.; Chen, R. J.; Xing, Y. M.; Fu, C. Y.; Liu, D. W.; Zeng, Q.; Ge, Z.; Sun, Y.; Zhao, H. W.; Zhao, T. C.

    2015-11-01

    Relative yields of fragments following the 78Kr projectile fragmentation in a beryllium target were measured in a storage ring by using isochronous mass spectrometry (IMS). Odd-even staggering of the relative fragment yields is observed and can be explained by the odd-even staggering of the particle-emission threshold energies. IMS is a complementary technique to γ-ray spectroscopy for measuring isomeric ratios, in particular for nuclides with long lifetimes. It was found that the isomeric yield ratios in 53Fe are almost constant for different longitudinal momenta.

  5. Nuclear fragmentation reactions in extended media studied with Geant4 toolkit

    NASA Astrophysics Data System (ADS)

    Pshenichnov, Igor; Botvina, Alexander; Mishustin, Igor; Greiner, Walter

    2010-03-01

    It is well-known from numerous experiments that nuclear multifragmentation is a dominating mechanism for production of intermediate mass fragments in nucleus-nucleus collisions at energies above 100A MeV. In this paper we investigate the validity and performance of the Fermi break-up model and the statistical multifragmentation model implemented as parts of the Geant4 toolkit. We study the impact of violent nuclear disintegration reactions on the depth-dose profiles and yields of secondary fragments for beams of light and medium-weight nuclei propagating in extended media. Implications for ion-beam cancer therapy and shielding from cosmic radiation are discussed.

  6. Fission fragment mass distribution studies in 30Si +180Hf reaction

    NASA Astrophysics Data System (ADS)

    Shamlath, A.; Shareef, M.; Prasad, E.; Sugathan, P.; Thomas, R. G.; Jhingan, A.; Appannababu, S.; Nasirov, A. K.; Vinodkumar, A. M.; Varier, K. M.; Yadav, C.; Babu, B. R. S.; Nath, S.; Mohanto, G.; Mukul, Ish; Singh, D.; Kailas, S.

    2016-01-01

    Fission fragment mass-angle and mass ratio distributions have been measured for the 30Si + 180Hf reaction in the beam energy range 128-148 MeV. Quasifission signature is observed in this reaction, forming the compound system 210Rn. The results are compared with a very asymmetric reaction 16O + 194Pt, forming the same compound nucleus. Calculations assuming saddle point, scission point and DNS models have been performed to interpret the experimental results. The results strongly suggest the entrance channel dependence of quasifission in heavy ion collisions.

  7. Study of near-stability nuclei populated as fission fragments in heavy-ion fusion reactions

    SciTech Connect

    Fotiadis, Nikolaos; Nelson, Ronald O; Devlin, Matthew; Cizewski, Jolie A; Krucken, Reiner; Clark, R M; Fallon, Paul; Lee, I Yang; Macchiavelli, Agusto O; Becker, John A; Younes, Walid

    2010-01-01

    Examples are presented to illustrate the power of prompt {gamma}-ray spectroscopy of fission fragments from compound nuclei with A {approx} 200 formed in fusion-evaporation reactions in experiments using the Gammasphere Ge-detector array. Complementary methods, such as Coulomb excitation and deep-inelastic processes, are also discussed. In other cases (n, xn{gamma}) reactions on stable isotopes have been used to establish neutron excitation functions for {gamma}-rays using a pulsed 'white'-neutron source, coupled to a high-energy-resolution germanium-detector array. The excitation functions can unambiguously assign {gamma}-rays to a specific reaction product. Results from all these methods bridge the gaps in the systematics of high-spin states between the neutron-deficient and neutron-rich nuclei. Results near shell closures should motivate new shell model calculations.

  8. Studies of complex fragment emission in heavy ion reactions. Progress report, January 1, 1990--August 5, 1992

    SciTech Connect

    Charity, R.J.; Sobotka, L.G.

    1992-09-01

    Our work involves the study of intermediate energy heavy-ion nuclear reactions. This work has two foci. On the one hand, we desire to learn about the properties of nuclear matter under abnormal conditions, in this energy domain, predominately low densities. This purpose runs abreast of the second, which is the study of the relevant reaction mechanisms. The two objectives are inexorably linked because our experimental laboratory for studying nuclear matter properties is a dynamic one. We are forced to ask how nuclear matter properties, such as phase transitions, are reflected in the dynamics of the reactions. It may be that irrefutable information about nuclear matter will not be extracted from the reaction work. Nevertheless, we are compelled to undertake this effort not only because it is the only game in town and as yet we do not know that information cannot be extracted, but also because of our second objective. The process leads to an understanding of the reaction mechanism themselves and therefore to the response characteristics of finite, perhaps non-equilibrium, strongly interacting systems. Our program has been: To study energy, mass, and angular momentum deposition by studying incomplete fusion reactions. To gain confidence that we understand how highly excited systems decompose by studying all emissions from the highly excited systems. To push these kinds of studies into the intermediate energy domain, with excitation function studies. And attempt to learn about the dynamics of the decays using particle-particle correlations. In the last effort, we have decided to focus on simple systems, where we believe, definitive statements are possible. These avenues of research share a common theme, large complex fragment production.

  9. An Investigation of Fragments Produced in the 58,64Ni + 9Be Fragmentation Reactions

    NASA Astrophysics Data System (ADS)

    Zhang, Y. L.; Ma, C. W.; Wang, S. S.; Qiao, C. Y.

    The cross sections of the fragments produced in the 140A MeV 58,64Ni + 9Be reactions have been studied using the empirical parametrization formula EPAX2 and EPAX3, the modified statistical abrasion-ablation (SAA) model, and the antisymmetrized molecular dynamics (AMD) model. The calculated cross sections of fragments are compared and discussed.

  10. A DFT study of addition reaction between fragment ion (CH₂) units and fullerene (C₆₀) molecule.

    PubMed

    Zaragoza, Irineo Pedro; Vergara, Jaime; Pérez-Manríquez, Liliana; Salcedo, Roberto

    2011-05-01

    The theoretical study of the interaction between CH(2) and fullerene (C(60)) suggests the existence of an addition reaction mechanism; this feature is studied by applying an analysis of electronic properties. Several different effects are evident in this interaction as a consequence of the particular electronic transfer which occurs during the procedure. The addition or insertion of the methylene group results in a process, where the inclusion of CH(2) into a fullerene bond produces the formation of several geometric deformations. A simulation of these procedures was carried out, taking advantage of the dynamic semi-classical Born-Oppenheimer approximation. Dynamic aspects were analyzed at different speeds, for the interaction between the CH(2) group and the two bonds: CC (6, 6) and CC (6, 5) respectively on the fullerene (C(60)) rings. All calculations which involved electrons employed DFT as well as exchange and functional correlation. The results indicate a tendency for the CH(2) fragment to attack the CC (6, 5) bond. PMID:20658255

  11. Fragmentation reactions of deprotonated peptides containing proline. The proline effect.

    PubMed

    Harrison, Alex G; Young, Alex B

    2005-09-01

    The collision-induced dissociation (CID) fragmentation reactions of a variety of deprotonated peptides containing proline have been studied in detail using MS(2) and MS(3) experiments, deuterium labelling and accurate mass measurements when necessary. The [M--H--CO(2)](-) (a(2)) ion derived from H-Pro-Xxx-OH dipeptides shows an unusual fragmentation involving loss of C(2)H(4); this fragmentation reaction is not observed for larger peptides. The primary fragmentation reactions of deprotonated tripeptides with an N-terminal proline are formation of a(3) and y(1) ions. When proline is in the central position of tripeptides, a(3), y(2) and y(1) ions are the primary fragmentation products of [M--H](-), while when the proline is in the C-terminal position, a(3)and y(1) ions are the major primary products. In the latter case, the a(3) ion fragments primarily to the ''b(2) ion; further evidence is presented that the ''b(2) ions have a deprotonated oxazolone structure. Larger deprotonated peptides having at least two amino acid residues N-terminal to proline show a distinct preference for cleavage of the amide bond N-terminal to proline to form, mainly, the appropriate y ion. This proline effect is compared and contrasted with the similar proline effect observed in the fragmentation of protonated peptides containing proline. PMID:16041740

  12. Shielding and fragmentation studies.

    PubMed

    Zeitlin, C; Guetersloh, S; Heilbronn, L; Miller, J

    2005-01-01

    Radiation dosimetry for manned spaced missions depends on the ability to adequately describe the process of high-energy ion transport through many materials. Since the types of possible nuclear interactions are many and complex, transport models are used which depend upon a reliable source of experimental data. To expand the heavy ion database used in the models we have been measuring charge-changing cross sections and fragment production cross sections from heavy-ion interactions in various elementa targets. These include materials flown on space missions such as carbon and aluminium, as well as those important in radiation dosimetry such as hydrogen, nitrogen and water. Measuring heavy-ion fragmentation through these targets also gives us the ability to determine the effectiveness of new materials proposed for shielding such as graphite composites and polyethylene hybrids. Measurement without a target present gives an indication of the level of contamination of the primary beam, which is also important in radiobiology experiments. PMID:16604611

  13. Theoretical Study of the Reaction Formalhydrazone with Singlet Oxygen. Fragmentation of the C=N Bond, Ene Reaction, and Other Processes†

    PubMed Central

    Rudshteyn, Benjamin; Castillo, Álvaro; Ghogare, Ashwini A.; Liebman, Joel F.; Greer, Alexander

    2013-01-01

    Photobiologic and synthetic versatility of hydrazones has not yet been established with 1O2 as a route to commonly encountered nitrosamines. Thus, to determine whether the “parent” reaction of formalhydrazone and 1O2 leads to facile C=N bond cleavage and resulting nitrosamine formation, we have carried out CCSD(T)//DFT calculations and analyzed the energetics of the oxidation pathways. A [2 + 2] pathway occurs via diradicals and formation of 3-amino-1,2,3-dioxazetidine in a 16 kcal/mol process. Reversible addition or physical quenching of 1O2 occurs either on the formalhydrazone carbon for triplet diradicals at 2–3 kcal/mol, or on the nitrogen (N(3)) atom forming zwitterions at ~15 kcal/mol, although the quenching channel by charge-transfer interaction was not computed. The computations also predict a facile conversion of formalhydrazone and 1O2 to hydroperoxymethyl diazene in a low-barrier ‘ene’ process, but no 2-amino-oxaziridine-O-oxide (perepoxide-like) intermediate was found. A Benson-like analysis (group increment calculations) on the closed shell species are in accord with the quantum chemical results. PMID:24354600

  14. Cloning of DNA fragments: ligation reactions in agarose gel.

    PubMed

    Furtado, Agnelo

    2014-01-01

    Ligation reactions to ligate a desired DNA fragment into a vector can be challenging to beginners and especially if the amount of the insert is limiting. Although additives known as crowding agents, such as PEG 8000, added to the ligation mixes can increase the success one has with ligation reactions, in practice the amount of insert used in the ligation can determine the success or the failure of the ligation reaction. The method described here, which uses insert DNA in gel slice added directly into the ligation reaction, has two benefits: (a) using agarose as the crowding agent and (b) reducing steps of insert purification. The use of rapid ligation buffer and incubation of the ligation reaction at room temperature greatly increase the efficiency of the ligation reaction even for blunt-ended ligation. PMID:24243199

  15. Study of the peripheral projectile-like fragments from the reaction {sup 129}Xe on {sup 27}Al, {sup nat}Cu, {sup 139}La and {sup 165}Ho, at E/A = 50 MeV

    SciTech Connect

    Garcia-Solis, E.J.; Russ, D.E.; Madani, H.

    1996-02-01

    There are several reaction mechanisms identified for peripheral heavy-ion collisions. For low bombarding energies (E/A {approx} 10 MeV) the predominant reaction channel is the deep-inelastic reaction mechanism. In this process, the projectile and target form a rotating binary system, interchanging nucleons and angular momentum until they separate. At higher bombarding energies (E/A {approx} 50 to 100 MeV) incomplete fusion is thought to be the prevailing reaction channel. In this type of interaction part of the projectile merges with the target during the collision. Finally, for energies greater than 100 MeV/A, the main reaction channel is characterized by the formation of a highly-excited separate fragment (fireball) produced during the overlap between the projectile and the target. The data set studied was from an experiment designed to characterize the projectile-like products of the {sup 27}Al, {sup nat}Cu, {sup 139}La, and {sup 165}Ho reactions at E/A = 50 MeV, which was performed at the Michigan State University Super Cyclotron Laboratory (MSU-NSCL). The Maryland Forward Array (MFA), was used to measure projectile-like fragments in coincidence with target-like fragments and light-charge particles in the MSU 4{pi} detector.

  16. Structural Studies of Geosmin Synthase, a Bifunctional Sesquiterpene Synthase with αα Domain Architecture That Catalyzes a Unique Cyclization-Fragmentation Reaction Sequence.

    PubMed

    Harris, Golda G; Lombardi, Patrick M; Pemberton, Travis A; Matsui, Tsutomu; Weiss, Thomas M; Cole, Kathryn E; Köksal, Mustafa; Murphy, Frank V; Vedula, L Sangeetha; Chou, Wayne K W; Cane, David E; Christianson, David W

    2015-12-01

    Geosmin synthase from Streptomyces coelicolor (ScGS) catalyzes an unusual, metal-dependent terpenoid cyclization and fragmentation reaction sequence. Two distinct active sites are required for catalysis: the N-terminal domain catalyzes the ionization and cyclization of farnesyl diphosphate to form germacradienol and inorganic pyrophosphate (PPi), and the C-terminal domain catalyzes the protonation, cyclization, and fragmentation of germacradienol to form geosmin and acetone through a retro-Prins reaction. A unique αα domain architecture is predicted for ScGS based on amino acid sequence: each domain contains the metal-binding motifs typical of a class I terpenoid cyclase, and each domain requires Mg(2+) for catalysis. Here, we report the X-ray crystal structure of the unliganded N-terminal domain of ScGS and the structure of its complex with three Mg(2+) ions and alendronate. These structures highlight conformational changes required for active site closure and catalysis. Although neither full-length ScGS nor constructs of the C-terminal domain could be crystallized, homology models of the C-terminal domain were constructed on the basis of ∼36% sequence identity with the N-terminal domain. Small-angle X-ray scattering experiments yield low-resolution molecular envelopes into which the N-terminal domain crystal structure and the C-terminal domain homology model were fit, suggesting possible αα domain architectures as frameworks for bifunctional catalysis. PMID:26598179

  17. Rearrangement/Fragmentation Reactions of Oligosilanes with Aluminum Chloride

    PubMed Central

    2011-01-01

    Reinvestigation of the Lewis acid catalyzed rearrangement of some open-chain permethyloligosilanes with the Al(Fe)Cl3 catalyst system exhibited several cases of additional reactivity: namely, a fragmentation/cyclization reaction. Introduction of (trimethylsilyl)methyl substituents into the oligosilane substrates strongly facilitated this reaction, yielding cyclic or bicyclic carbacyclosilanes. Investigations concerning the composition of the catalyst system indicated that the incorporation of about 0.1% FeCl3 into the AlCl3 lattice provided an effective catalyst. PMID:21818171

  18. Production of Energetic Light Fragments in Spallation Reactions

    NASA Astrophysics Data System (ADS)

    Mashnik, Stepan G.; Kerby, Leslie M.; Gudima, Konstantin K.; Sierk, Arnold J.

    2014-03-01

    Different reaction mechanisms contribute to the production of light fragments (LF) from nuclear reactions. Available models cannot accurately predict emission of LF from arbitrary reactions. However, the emission of LF is important formany applications, such as cosmic-ray-induced single event upsets, radiation protection, and cancer therapy with proton and heavy-ion beams, to name just a few. The cascade-exciton model (CEM) and the Los Alamos version of the quark-gluon string model (LAQGSM), as implemented in the CEM03.03 and LAQGSM03.03 event generators used in the Los Alamos Monte Carlo transport code MCNP6, describe quite well the spectra of fragments with sizes up to 4He across a broad range of target masses and incident energies. However, they do not predict high-energy tails for LF heavier than 4He. The standard versions of CEM and LAQGSM do not account for preequilibrium emission of LF larger than 4He. The aim of our work is to extend the preequilibrium model to include such processes. We do this by including the emission of fragments heavier than 4He at the preequilibrium stage, and using an improved version of the Fermi Break-up model, providing improved agreement with various experimental data.

  19. Precompound emission of energetic light fragments in spallation reactions

    NASA Astrophysics Data System (ADS)

    Kerby, Leslie Marie

    Emission of light fragments (LF) from nuclear reactions is an open question. Different reaction mechanisms contribute to their production; the relative roles of each, and how they change with incident energy, mass number of the target, and the type and emission energy of the fragments is not completely understood. None of the available models are able to accurately predict emission of LF from arbitrary reactions. However, the ability to describe production of LF (especially at energies ~ 30 MeV) from many reactions is important for different applications, such as cosmic-ray-induced Single Event Upsets (SEUs), radiation protection, and cancer therapy with proton and heavy-ion beams, to name just a few. The Cascade-Exciton Model (CEM) version 03.03 and the Los Alamos version of the Quark-Gluon String Model (LAQGSM) version 03.03 event generators in Monte Carlo N-Particle Transport Code version 6 (MCNP6) describe quite well the spectra of fragments with sizes up to 4He across a broad range of target masses and incident energies (up to ~ 5 GeV for CEM and up to ~1 TeV/A for LAQGSM). However, they do not predict the high-energy tails of LF spectra heavier than 4He well. Most LF with energies above several tens of MeV are emitted during the precompound stage of a reaction. The current versions of the CEM and LAQGSM event generators do not account for precompound emission of LF larger than 4He. The aim of our work is to extend the precompound model in them to include such processes, leading to an increase of predictive power of LF-production in MCNP6. This entails upgrading the Modified Exciton Model currently used at the preequilibrium stage in CEM and LAQGSM. It also includes expansion and examination of the coalescence and Fermi break-up models used in the precompound stages of spallation reactions within CEM and LAQGSM. Extending our models to include emission of fragments heavier than 4He at the precompound stage has indeed provided results that have much better

  20. Dissertation: Precompound Emission of Energetic Light Fragments in Spallation Reactions

    SciTech Connect

    Kerby, Leslie Marie

    2015-08-04

    Emission of light fragments (LF) from nuclear reactions is an open question. Different reaction mechanisms contribute to their production; the relative roles of each, and how they change with incident energy, mass number of the target, and the type and emission energy of the fragments is not completely understood. None of the available models are able to accurately predict emission of LF from arbitrary reactions. However, the ability to describe production of LF (especially at energies ≳ 30 MeV) from many reactions is important for different applications, such as cosmic-ray-induced Single Event Upsets (SEUs), radiation protection, and cancer therapy with proton and heavy-ion beams, to name just a few. The Cascade-Exciton Model (CEM) version 03.03 and the Los Alamos version of the Quark-Gluon String Model (LAQGSM) version 03.03 event generators in Monte Carlo N-Particle Transport Code version 6 (MCNP6) describe quite well the spectra of fragments with sizes up to ⁴He across a broad range of target masses and incident energies (up to ~ 5 GeV for CEM and up to ~ 1 TeV/A for LAQGSM). However, they do not predict the high energy tails of LF spectra heavier than ⁴He well. Most LF with energies above several tens of MeV are emitted during the precompound stage of a reaction. The current versions of the CEM and LAQGSM event generators do not account for precompound emission of LF larger than ⁴He. The aim of our work is to extend the precompound model in them to include such processes, leading to an increase of predictive power of LF-production in MCNP6. This entails upgrading the Modified Exciton Model currently used at the preequilibrium stage in CEM and LAQGSM. It also includes expansion and examination of the coalescence and Fermi break-up models used in the precompound stages of spallation reactions within CEM and LAQGSM. Extending our models to include emission of fragments heavier than ⁴He at the precompound stage has indeed provided results that have much

  1. Isospin effects on fragmentation in the asymmetric reactions induced by neutron-rich targets

    NASA Astrophysics Data System (ADS)

    Sharma, Arun

    2016-05-01

    To understand the isospin effects in terms of fragment's yield in the asymmetric reactions induced by neutron-rich targets, we perform a theoretical study using isospin-dependent quantum molecular dynamics (IQMD) model. Simulations are carried out for reactions of 16O+Br80,84,92 and 16O+Ag108,113,122. We envision that fragments's yield in the asymmetric collisions induced by neutron-rich targets is better candidate to study isospin effects via symmetry energy and nucleon-nucleon (nn) cross-sections. Also, pronounced effects of symmetry energy and cross-sections can be found at lower and higher beam energies, respectively.

  2. Effects of collectivity on target-fragmentation reactions

    SciTech Connect

    Cumming, J.B.

    1980-01-07

    A new approach based on the collective tube model is developed for understanding momentum transfer to target fragments in high-energy hadron-nucleus collisions. Collectivity manifests itself in an enhanced dependence of momentum transfer on projectile energy, consistent with experimental results for deep-spallation reactions. The effective target for /sup 149/Tb production from /sup 197/Au by high-energy protons is deduced to consist of 3.1 +- 0.4 nucleons. Extensions of this model to nucleus-nucleus collisions are discussed.

  3. Proton Mobility in b₂ Ion Formation and Fragmentation Reactions of Histidine-Containing Peptides.

    PubMed

    Nelson, Carissa R; Abutokaikah, Maha T; Harrison, Alex G; Bythell, Benjamin J

    2016-03-01

    A detailed energy-resolved study of the fragmentation reactions of protonated histidine-containing peptides and their b2 ions has been undertaken. Density functional theory calculations were utilized to predict how the fragmentation reactions occur so that we might discern why the mass spectra demonstrated particular energy dependencies. We compare our results to the current literature and to synthetic b2 ion standards. We show that the position of the His residue does affect the identity of the subsequent b2 ion (diketopiperazine versus oxazolone versus lactam) and that energy-resolved CID can distinguish these isomeric products based on their fragmentation energetics. The histidine side chain facilitates every major transformation except trans-cis isomerization of the first amide bond, a necessary prerequisite to diketopiperazine b2 ion formation. Despite this lack of catalyzation, trans-cis isomerization is predicted to be facile. Concomitantly, the subsequent amide bond cleavage reaction is rate-limiting. PMID:26602904

  4. Proton Mobility in b2 Ion Formation and Fragmentation Reactions of Histidine-Containing Peptides

    NASA Astrophysics Data System (ADS)

    Nelson, Carissa R.; Abutokaikah, Maha T.; Harrison, Alex G.; Bythell, Benjamin J.

    2016-03-01

    A detailed energy-resolved study of the fragmentation reactions of protonated histidine-containing peptides and their b2 ions has been undertaken. Density functional theory calculations were utilized to predict how the fragmentation reactions occur so that we might discern why the mass spectra demonstrated particular energy dependencies. We compare our results to the current literature and to synthetic b2 ion standards. We show that the position of the His residue does affect the identity of the subsequent b2 ion (diketopiperazine versus oxazolone versus lactam) and that energy-resolved CID can distinguish these isomeric products based on their fragmentation energetics. The histidine side chain facilitates every major transformation except trans-cis isomerization of the first amide bond, a necessary prerequisite to diketopiperazine b2 ion formation. Despite this lack of catalyzation, trans-cis isomerization is predicted to be facile. Concomitantly, the subsequent amide bond cleavage reaction is rate-limiting.

  5. Preequilibrium Emission of Light Fragments in Spallation Reactions

    NASA Astrophysics Data System (ADS)

    Kerby, L. M.; Mashnik, S. G.; Sierk, A. J.

    2014-04-01

    The ability to describe production of light fragments (LF) is important for many applications, such as cosmic-ray-induced single event upsets (SEUs), radiation protection, and cancer therapy with proton and heavy-ion beams. The cascade-exciton model (CEM) and the Los Alamos version of the quark-gluon string model (LAQGSM) event generators in the LANL transport code MCNP6, describe quite well the spectra of fragments with sizes up to 4He across a broad range of target masses and incident energies (up to ∼ 5 GeV for CEM and up to ∼ 1 TeV/A for LAQGSM). However, they do not predict the high-energy tails of LF spectra heavier than 4He well. Most LF with energies above several tens of MeV are emitted during the precompound stage of a reaction. The current versions of our event generators do not account for precompound emission of LF larger than 4He. The aim of our work is to generalize the precompound model to include such processes, leading to increased predictive power of LF production. Extending the model in this way provides preliminary results that have much better agreement with experimental data.

  6. Isotope Labeling Study of Retinal Chromophore Fragmentation.

    PubMed

    Musbat, Lihi; Nihamkin, Maria; Ytzhak, Shany; Hirshfeld, Amiram; Friedman, Noga; Dilger, Jonathan M; Sheves, Mordechai; Toker, Yoni

    2016-04-28

    Previous studies have shown that the gas-phase fragmentation of the retinal chromophore after S0-S1 photoexcitation results in a prominent fragment of mass 248 which cannot be explained by the cleavage of any single bond along the polyene chain. It was therefore theorized that the fragmentation mechanism involves a series of isomerizations and cyclization processes, and two mechanisms for these processes were suggested. Here we used isotope labeling MS-MS to provide conclusive support for the fragmentation mechanism suggested by Coughlan et al. (J. Phys. Chem. Lett. 2014, 5, 3195). PMID:27046667

  7. Nuclear fragmentation studies for microelectronic application

    NASA Technical Reports Server (NTRS)

    Ngo, Duc M.; Wilson, John W.; Buck, Warren W.; Fogarty, Thomas N.

    1989-01-01

    A formalism for target fragment transport is presented with application to energy loss spectra in thin silicon devices. Predicted results are compared to experiments with the surface barrier detectors of McNulty et al. The intranuclear cascade nuclear reaction model does not predict the McNulty experimental data for the highest energy events. A semiempirical nuclear cross section gives an adequate explanation of McNulty's experiments. Application of the formalism to specific electronic devices is discussed.

  8. Comparing the gas-phase fragmentation reactions of protonated and radical cations of the tripeptides GXR

    NASA Astrophysics Data System (ADS)

    Wee, Sheena; O'Hair, Richard A. J.; McFadyen, W. David

    2004-05-01

    Electrospray ionization (ESI) mass spectrometry of methanolic solutions of mixtures of the copper salt (2,2':6',2''-terpyridine)copper(II) nitrate monohydrate ([Cu(II)(tpy)(NO3)2].H2O) and a tripeptide GXR (where X = 1 of the 20 naturally occurring amino acids) yielded [Cu(II)(tpy)(GXR)][radical sign]2+ ions, which were then subjected to collision induced dissociation (CID). In all but one case (GRR), these [Cu(II)(tpy)(GXR)][radical sign]2+ ions fragment to form odd electron GXR[radical sign]+ radical cations with sufficient abundance to examine their gas-phase fragmentation reactions. The GXR[radical sign]+ radical cations undergo a diverse range of fragmentation reactions which depend on the nature of the side chain of X. Many of these reactions can be rationalized as arising from the intermediacy of isomeric distonic ions in which the charge (i.e. proton) is sequestered by the highly basic arginine side chain and the radical site is located at various positions on the tripeptide including the peptide back bone and side chains. The radical sites in these distonic ions often direct the fragmentation reactions via the expulsion of small radicals (to yield even electron ions) or small neutrals (to form radical cations). Both classes of reaction can yield useful structural information, allowing for example, distinction between leucine and isoleucine residues. The gas-phase fragmentation reactions of the GXR[radical sign]+ radical cations are also compared to their even electron [GXR+H]+ and [GXR+2H]2+ counterparts. The [GXR+H]+ ions give fewer sequence ions and more small molecule losses while the [GXR+2H]2+ ions yield more sequence information, consistent with the [`]mobile proton model' described in previous studies. In general, all three classes of ions give complementary structural information, but the GXR[radical sign]+ radical cations exhibit a more diverse loss of small species (radicals and neutrals). Finally, links between these gas-phase results and key

  9. DFT STUDIES OF DP-3 AMYLOSE FRAGMENTS

    Technology Transfer Automated Retrieval System (TEKTRAN)

    This study extends our work on mono- and disaccharides to structures with three glucose residues by two alpha-[1-4] bridges, denoted herein as DP-3's. DFT optimization studies of DP-3 fragments have been carried out at the B3LYP/6-311++G** level of theory. Different hydroxymethyl conformations (gg...

  10. Isotope yield ratios of fragments from heavy-ion reactions

    SciTech Connect

    Deak, F.; Kiss, A. ); Seres, Z. ); Galonsky, A.; Heilbronn, L. )

    1991-05-01

    Isotope yield ratios produced in collisions of 35 MeV/nucleon {sup 14}N with targets of C, Ni, Ag, and Ho have an exponential dependence on total neutron-to-proton ratio. A statistical multifragmentation model including particle emission from excited fragments predicted such behavior for yield ratios measured earlier at the higher energy of 84 MeV/nucleon.

  11. Fission fragment mass distributions in 35Cl+Sm,154144 reactions

    NASA Astrophysics Data System (ADS)

    Tripathi, R.; Sodaye, S.; Sudarshan, K.; Nayak, B. K.; Jhingan, A.; Pujari, P. K.; Mahata, K.; Santra, S.; Saxena, A.; Mirgule, E. T.; Thomas, R. G.

    2015-08-01

    Background: A new type of asymmetric fission was observed in β -delayed fission of 180Tl [Phys. Rev. Lett. 105, 252502 (2010), 10.1103/PhysRevLett.105.252502] as symmetric mass distribution would be expected based on conventional shell effects leading to the formation of N =50 fragments. Following this observation, theoretical calculations were carried out which predict asymmetric mass distribution for several mercury isotopes around mass region of ˜180 at low and moderate excitation energies [Moller, Randrup, and Sierk, Phys. Rev. C 85, 024306 (2012), 10.1103/PhysRevC.85.024306; Andreev, Adamian, and Antonenko, Phys. Rev. C 86, 044315 (2012), 10.1103/PhysRevC.86.044315]. Studies on fission fragment mass distribution are required in this mass region to investigate this newly observed phenomenon. Purpose: The fission fragment mass distributions have been measured in 35Cl+Sm,154144 reactions at Elab=152.5 ,156.1 ,and 163.7 MeV populating compound nuclei in the mass region of ˜180 with variable excitation energy and neutron number to investigate the nature of mass distribution. Method: The fission fragment mass distribution has been obtained by measuring the "time of flight (TOF)" of fragments with respect to the beam pulse using two multiwire proportional counters placed at θlab=±65 .5∘ with respect to the beam direction. From the TOF of fragments, their velocities were determined, which were used to obtain mass distribution taking the compound nucleus as the fissioning system. Results: For both systems, mass distributions, although, appear to be symmetric, could not be fitted well by a single Gaussian. The deviation from a single Gaussian fit is more pronounced for the 35Cl+144Sm reaction. A clear flat top mass distribution has been observed for the 35Cl+144Sm reaction at the lowest beam energy. The mass distribution is very similar to that observed in the 40Ca+142Nd reaction, which populated a similar compound nucleus, but for the pronounced dip in the

  12. Conformational studies of cellulosic fragments by DFT

    Technology Transfer Automated Retrieval System (TEKTRAN)

    The study of cellulosic fragments by DFTr is a continuation of our efforts to produce quality structural data that will be valuable to those working in the field of cellulose structure and enzymatic degradation. Using a reduced basis set and density functional DFTr (B3LYP), optimization of cellulosi...

  13. Space fragment in studies of the Earth

    NASA Technical Reports Server (NTRS)

    Avanesov, G. A.; Ziman, Y. L.

    1982-01-01

    The fragment apparatus, mounted on board the artificial earth satellite Meteor, was created for the operational study of the natural resources of the Earth in the optical range of electromagnetic waves. The orbit of the satellite at an altitude of about 650 km makes it possible to observe the same sectors of the Earth's surface at the same time of day with a periodicity of 15 days.

  14. Fragmentation reactions on nuclei: Condensation of vapour or shattering of glass?

    NASA Astrophysics Data System (ADS)

    Aichelin, J.; Huefner, J.

    1984-02-01

    We analyse charge yield curves d σ/d Z from inclusive fragmentation reactions of the type AP+ AT→ Z+ X where a high energy projectile AP(p,C) collides with a target AT(U, Ag, Xe, Kr) and a fragment of charge Z is observed. The principle of minimal information together with charge conservation leads to an expression for the shape of d σ/d Z which describes the experiments without free parameter.

  15. Mutagenicity Assessment of Organophosphates using Polymerase Chain Reaction-Restriction Fragment Length Polymorphism Assay

    PubMed Central

    Bhinder, Preety; Chaudhry, Asha

    2013-01-01

    Objectives: In this study we have evaluated the mutagenicity of organophosphate pesticides acephate, chlorpyrifos, and profenofos using polymerase chain reaction-restriction fragment length polymorphism (PCR-RFLP) assay with the mosquito Culex quinquefasciatus taken as an experimental model. Materials and Methods: Second instar larvae were treated with LC20 of each pesticide for 24 h and mutations induced in the sequence of mitochondrial COII gene (690bp) were studied from restriction patterns generated with AluI, PacI, and PsiI restriction endonucleases. Results: Variations in the number and size of digested fragments were recorded from treated individuals compared with controls showing that the restriction enzymes created a cut at different locations. In addition, sequences of COII gene from control and treated individuals were also used to confirm the RFLP patterns. From the sequence alignment data, it was found that mutations caused the destruction and generation of restriction sites in the gene sequence of treated individuals. Conclusion: This study indicates that all the three pesticides had potential to induce mutations in the normal sequence of COII gene and also advocates the use of PCR-RFLP assay as an efficient, rapid, and sensitive technique to detect mutagenicity of pesticides. PMID:24403735

  16. Interplay between compound and fragments aspects of nuclear fission and heavy-ion reaction

    SciTech Connect

    Moller, Peter; Iwamoto, A; Ichikawa, I

    2010-09-10

    The scission point in nuclear fission plays a special role where one-body system changes to two-body system. Inverse of this situation is realized in heavy-ion fusion reaction where two-body system changes to one body system. Among several peculiar phenomena expected to occur during this change, we focus our attention to the behavior of compound and fragments shell effects. Some aspects of the interplay between compound and fragments shell effect are discussed related to the topics of the fission valleys in the potential energy surface of actinide nuclei and the fusion-like trajectory found in the cold fusion reaction leading to superheavy nuclei.

  17. Deduction of compound nucleus formation probability from the fragment angular distributions in heavy-ion reactions

    NASA Astrophysics Data System (ADS)

    Yadav, C.; Thomas, R. G.; Mohanty, A. K.; Kapoor, S. S.

    2015-07-01

    The presence of various fissionlike reactions in heavy-ion induced reactions is a major hurdle in the path to laboratory synthesis of heavy and super-heavy nuclei. It is known that the cross section of forming a heavy evaporation residue in fusion reactions depends on the three factors—the capture cross section, probability of compound nucleus formation PCN, and the survival probability of the compound nucleus against fission. As the probability of compound nucleus formation, PCN is difficult to theoretically estimate because of its complex dependence on several parameters; attempts have been made in the past to deduce it from the fission fragment anisotropy data. In the present work, the fragment anisotropy data for a number of heavy-ion reactions are analyzed and it is found that deduction of PCN from the anisotropy data also requires the knowledge of the ratio of relaxation time of the K degree of freedom to pre-equilibrium fission time.

  18. Purification and characterization of Fab fragments with rapid reaction kinetics against myoglobin.

    PubMed

    Song, Hyung-Nam; Kim, Dong-Hyung; Park, Sung-Goo; Lee, Myung Kyu; Paek, Se-Hwan; Woo, Eui-Jeon

    2015-01-01

    Myoglobin is an early biomarker for acute myocardial infarction. Recently, we isolated the antibody IgG-Myo2-7ds, which exhibits unique rapid reaction kinetics toward human myoglobin antigen. Antibodies with rapid dissociation kinetics are thought to be premature IgG forms that are produced during the early stage of in vivo immunization. In the present study, we identified the epitope region of the IgG-Myo2-7ds antibody to be the C-terminal region of myoglobin, which corresponds to 144-154 aa. The Fab fragment was directly purified by papain cleavage and protein G affinity chromatography and demonstrated kinetics of an association constant of 4.02 × 10(4) M(-1) s(-1) and a dissociation constant of 2.28 × 10(-2) s(-1), which retained the unique reaction kinetics of intact IgG-Myo2-7ds antibodies. Because a rapid dissociation antibody can be utilized for antibody recycling, the results from this study would provide a platform for the development of antibody engineering in potential diagnostic areas such as a continuous monitoring system for heart disease. PMID:25561012

  19. Tungsten fragmentation in nuclear reactions induced by high-energy cosmic-ray protons

    NASA Astrophysics Data System (ADS)

    Chechenin, N. G.; Chuvilskaya, T. V.; Shirokova, A. A.; Kadmenskii, A. G.

    2015-01-01

    Tungsten fragmentation arising in nuclear reactions induced by cosmic-ray protons in space-vehicle electronics is considered. In modern technologies of integrated circuits featuring a three-dimensional layered architecture, tungsten is frequently used as a material for interlayer conducting connections. Within the preequilibrium model, tungsten-fragmentation features, including the cross sections for the elastic and inelastic scattering of protons of energy between 30 and 240 MeV; the yields of isotopes and isobars; their energy, charge, and mass distributions; and recoil energy spectra, are calculated on the basis of the TALYS and EMPIRE-II-19 codes. It is shown that tungsten fragmentation affects substantially forecasts of failures of space-vehicle electronics.

  20. Tungsten fragmentation in nuclear reactions induced by high-energy cosmic-ray protons

    SciTech Connect

    Chechenin, N. G. Chuvilskaya, T. V.; Shirokova, A. A.; Kadmenskii, A. G.

    2015-01-15

    Tungsten fragmentation arising in nuclear reactions induced by cosmic-ray protons in space-vehicle electronics is considered. In modern technologies of integrated circuits featuring a three-dimensional layered architecture, tungsten is frequently used as a material for interlayer conducting connections. Within the preequilibrium model, tungsten-fragmentation features, including the cross sections for the elastic and inelastic scattering of protons of energy between 30 and 240 MeV; the yields of isotopes and isobars; their energy, charge, and mass distributions; and recoil energy spectra, are calculated on the basis of the TALYS and EMPIRE-II-19 codes. It is shown that tungsten fragmentation affects substantially forecasts of failures of space-vehicle electronics.

  1. Fission Fragment Charge and Mass Distributions from Intermediate-Energy Reactions of 238-U Projectiles

    NASA Astrophysics Data System (ADS)

    Souliotis, G. A.; Loveland, W.; Zyromski, K. E.; Wozniak, G. J.; Morrissey, D. J.; Aleklett, Kjell

    1999-10-01

    The charge, mass and velocity distributions of fission fragments from the interaction of 20 MeV/nucleon 238-U projectiles with 27-Al and 208-Pb have been measured using the MSU A1200 fragment separator. The observed distributions from the U+Al reaction are consistent with fission following fusion-like events giving rise to products that are very n-deficient relative to the line of beta-stability. However, the distributions from the U+Pb reaction are consistent with fission following quasielastic or deep-inelastic collisions, resulting in fragments that are neutron rich. Substantial yields of very n-rich nuclei are observed. Estimates of rates of important n-rich nuclides from a typical second generation projectile-fragmentation (PF) facility are given. Finally, the importance of the present cross section data for the planning of next generation intermediate-energy PF facilities able to produce short-lived neutron-rich radioactive beams by fission of heavy projectiles is discussed.

  2. Selective Control over Fragmentation Reactions in Polyatomic Molecules Using Impulsive Laser Alignment

    NASA Astrophysics Data System (ADS)

    Xie, Xinhua; Doblhoff-Dier, Katharina; Xu, Huailiang; Roither, Stefan; Schöffler, Markus S.; Kartashov, Daniil; Erattupuzha, Sonia; Rathje, Tim; Paulus, Gerhard G.; Yamanouchi, Kaoru; Baltuška, Andrius; Gräfe, Stefanie; Kitzler, Markus

    2014-04-01

    We investigate the possibility of using molecular alignment for controlling the relative probability of individual reaction pathways in polyatomic molecules initiated by electronic processes on the few-femtosecond time scale. Using acetylene as an example, it is shown that aligning the molecular axis with respect to the polarization direction of the ionizing laser pulse does not only allow us to enhance or suppress the overall fragmentation yield of a certain fragmentation channel but, more importantly, to determine the relative probability of individual reaction pathways starting from the same parent molecular ion. We show that the achieved control over dissociation or isomerization pathways along specific nuclear degrees of freedom is based on a controlled population of associated excited dissociative electronic states in the molecular ion due to relatively enhanced ionization contributions from inner valence orbitals.

  3. Fission fragment mass distributions in reactions forming the {sup 213}Fr compound nucleus

    SciTech Connect

    Appannababu, S.; Mukherjee, S.; Deshmukh, N. N.; Rath, P. K.; Singh, N. L.; Nayak, B. K.; Thomas, R. G.; Choudhury, R. K.; Sugathan, P.; Jhingan, A.; Negi, D.; Prasad, E.

    2011-03-15

    The fission fragment mass angle correlations and mass ratio distributions have been investigated for the two systems {sup 16}O+{sup 197}Au and {sup 27}Al+{sup 186}W, leading to the same compound nucleus {sup 213}Fr around the Coulomb barrier energies. Systematic analysis of the variance of the mass distributions as a function of temperature and angular momentum suggests true compound nuclear fission for both the reactions, indicating the absence of nonequilibrium fission processes.

  4. Calibrations for studies of neutron-rich precursor fragments

    NASA Astrophysics Data System (ADS)

    Mazza, Maria; Parkhurst, Rachel; Wilensky, Samuel; Mosby, Michelle; Stephenson, Sharon; Rogers, Warren; MoNA Collaboration Collaboration

    2015-10-01

    Heavy ion collisions at relativistic energies produce the radioactive beams used at nuclear structure facilities worldwide. However, there are still unanswered questions about the reaction mechanism of projectile fragmentation and the specific roles that ablation, evaporation, and abrasion play. Using the projectile fragmentation of a 32Mg beam at 86 MeV/u on a natural Beryllium target at the National Superconducting Cyclotron Laboratory (NSCL), our experimental goal is to better understand the excitation energy and the momentum distribution of the precursors of the observed final fragments (neon, sodium, and fluorine). A suite of charged particle detectors in conjunction with the Modular Neutron Array (MoNA) allows us to analyze both the charged final fragments as well as the coincident neutrons. Detector calibration results and preliminary results will be presented. This material is based upon work supported by the National Science Foundation under Grants PHY-1205537.

  5. Global transformation and fate of SOA: Implications of low-volatility SOA and gas-phase fragmentation reactions

    NASA Astrophysics Data System (ADS)

    Shrivastava, Manish; Easter, Richard C.; Liu, Xiaohong; Zelenyuk, Alla; Singh, Balwinder; Zhang, Kai; Ma, Po-Lun; Chand, Duli; Ghan, Steven; Jimenez, Jose L.; Zhang, Qi; Fast, Jerome; Rasch, Philip J.; Tiitta, Petri

    2015-05-01

    Secondary organic aerosols (SOA) are large contributors to fine-particle loadings and radiative forcing but are often represented crudely in global models. We have implemented three new detailed SOA treatments within the Community Atmosphere Model version 5 (CAM5) that allow us to compare the semivolatile versus nonvolatile SOA treatments (based on some of the latest experimental findings) and to investigate the effects of gas-phase fragmentation reactions. The new treatments also track SOA from biomass burning and biofuel, fossil fuel, and biogenic sources. For semivolatile SOA treatments, fragmentation reactions decrease the simulated annual global SOA burden from 7.5 Tg to 1.8 Tg. For the nonvolatile SOA treatment with fragmentation, the burden is 3.1 Tg. Larger differences between nonvolatile and semivolatile SOA (up to a factor of 5) exist in areas of continental outflow over the oceans. According to comparisons with observations from global surface Aerosol Mass Spectrometer measurements and the U.S. Interagency Monitoring of Protected Visual Environments (IMPROVE) network measurements, the FragNVSOA treatment, which treats SOA as nonvolatile and includes gas-phase fragmentation reactions, agrees best at rural locations. Urban SOA is underpredicted, but this may be due to the coarse model resolution. All three revised treatments show much better agreement with aircraft measurements of organic aerosols (OA) over the North American Arctic and sub-Arctic in spring and summer, compared to the standard CAM5 formulation. This is mainly due to the oxidation of SOA precursor gases from biomass burning, not included in standard CAM5, and long-range transport of biomass burning OA at high altitudes. The revised model configurations that include fragmentation (both semivolatile and nonvolatile SOA) show much better agreement with MODerate resolution Imaging Spectrometers (MODIS) aerosol optical depth data over regions dominated by biomass burning during the summer

  6. Modulation of Phosphopeptide Fragmentation via Dual Spray Ion/Ion Reactions Using a Sulfonate-Incorporating Reagent.

    PubMed

    Cotham, Victoria C; McGee, William M; Brodbelt, Jennifer S

    2016-08-16

    The labile nature of phosphoryl groups has presented a long-standing challenge for the characterization of protein phosphorylation via conventional mass spectrometry-based bottom-up proteomics methods. Collision-induced dissociation (CID) causes preferential cleavage of the phospho-ester bond of peptides, particularly under conditions of low proton mobility, and results in the suppression of sequence-informative fragmentation that often prohibits phosphosite determination. In the present study, the fragmentation patterns of phosphopeptides are improved through ion/ion-mediated peptide derivatization with 4-formyl-1,3-benezenedisulfonic acid (FBDSA) anions using a dual spray reactor. This approach exploits the strong electrostatic interactions between the sulfonate moieties of FBDSA and basic sites to facilitate gas-phase bioconjugation and to reduce charge sequestration and increase the yield of phosphate-retaining sequence ions upon CID. Moreover, comparative CID fragmentation analysis between unmodified phosphopeptides and those modified online with FBDSA or in solution via carbamylation and 4-sulfophenyl isothiocyanate (SPITC) provided evidence for sulfonate interference with charge-directed mechanisms that result in preferential phosphate elimination. Our results indicate the prominence of charge-directed neighboring group participation reactions involved in phosphate neutral loss, and the implementation of ion/ion reactions in a dual spray reactor setup provides a means to disrupt the interactions by competing hydrogen-bonding interactions between sulfonate groups and the side chains of basic residues. PMID:27467576

  7. Refolded scFv Antibody Fragment against Myoglobin Shows Rapid Reaction Kinetics

    PubMed Central

    Song, Hyung-Nam; Jang, Jun-Hyuck; Kim, Young-Wan; Kim, Dong-Hyung; Park, Sung-Goo; Lee, Myung Kyu; Paek, Se-Hwan; Woo, Eui-Jeon

    2014-01-01

    Myoglobin is one of the early biomarkers for acute myocardial infarction. Recently, we have screened an antibody with unique rapid reaction kinetics toward human myoglobin antigen. Antibodies with rapid reaction kinetics are thought to be an early IgG form produced during early stage of in vivo immunization. We produced a recombinant scFv fragment for the premature antibody from Escherichia coli using refolding technology. The scFv gene was constructed by connection of the VH–VL sequence with a (Gly4Ser)3 linker. The scFv fragment without the pelB leader sequence was expressed at a high level, but the solubility was extremely low. A high concentration of 8 M urea was used for denaturation. The dilution refolding process in the presence of arginine and the redox reagents GSH and GSSH successfully produced a soluble scFv protein. The resultant refolded scFv protein showed association and dissociation values of 9.32 × 10−4 M−1·s−1 and 6.29 × 10−3 s−1, respectively, with an affinity value exceeding 107 M−1 (kon/koff), maintaining the original rapid reaction kinetics of the premature antibody. The refolded scFv could provide a platform for protein engineering for the clinical application for diagnosis of heart disease and the development of a continuous biosensor. PMID:25530617

  8. Refolded scFv antibody fragment against myoglobin shows rapid reaction kinetics.

    PubMed

    Song, Hyung-Nam; Jang, Jun-Hyuck; Kim, Young-Wan; Kim, Dong-Hyung; Park, Sung-Goo; Lee, Myung Kyu; Paek, Se-Hwan; Woo, Eui-Jeon

    2014-01-01

    Myoglobin is one of the early biomarkers for acute myocardial infarction. Recently, we have screened an antibody with unique rapid reaction kinetics toward human myoglobin antigen. Antibodies with rapid reaction kinetics are thought to be an early IgG form produced during early stage of in vivo immunization. We produced a recombinant scFv fragment for the premature antibody from Escherichia coli using refolding technology. The scFv gene was constructed by connection of the V(H)-V(L) sequence with a (Gly4Ser)3 linker. The scFv fragment without the pelB leader sequence was expressed at a high level, but the solubility was extremely low. A high concentration of 8 M urea was used for denaturation. The dilution refolding process in the presence of arginine and the redox reagents GSH and GSSH successfully produced a soluble scFv protein. The resultant refolded scFv protein showed association and dissociation values of 9.32 × 10⁻⁴ M⁻¹·s⁻¹ and 6.29 × 10⁻³ s⁻¹, respectively, with an affinity value exceeding 10⁷ M⁻¹ (k(on)/k(off)), maintaining the original rapid reaction kinetics of the premature antibody. The refolded scFv could provide a platform for protein engineering for the clinical application for diagnosis of heart disease and the development of a continuous biosensor. PMID:25530617

  9. Feasibility of Traveling Wave Direct Energy Conversion of Fission Reaction Fragments

    NASA Technical Reports Server (NTRS)

    Tarditi, A. G.; George, J. A.; Miley, G. H.; Scott, J. H.

    2013-01-01

    Fission fragment direct energy conversion has been considered in the past for the purpose of increasing nuclear power plant efficiency and for advanced space propulsion. Since the fragments carry electric charge (typically in the order of 20 e) and have 100 MeV-range kinetic energy, techniques utilizing very high-voltage DC electrodes have been considered. This study is focused on a different approach: the kinetic energy of the charged fission fragments is converted into alternating current by means of a traveling wave coupling scheme (Traveling Wave Direct Energy Converter, TWDEC), thereby not requiring the utilization of high voltage technology. A preliminary feasibility analysis of the concept is introduced based on a conceptual level study and on a particle simulation model of the beam dynamics.

  10. Radiation induced redox reactions and fragmentation of constituent ions in ionic liquids II. Imidazolium cations.

    SciTech Connect

    Shkrob, I. A.; Marin, T. W.; Chemerisov, S. D.; Hatcher, J.; Wishart, J.

    2011-04-14

    In part 1 of this study, radiolytic degradation of constituent anions in ionic liquids (ILs) was examined. The present study continues the themes addressed in part 1 and examines the radiation chemistry of 1,3-dialkyl substituted imidazolium cations, which currently comprise the most practically important and versatile class of ionic liquid cations. For comparison, we also examined 1,3-dimethoxy- and 2-methyl-substituted imidazolium and 1-butyl-4-methylpyridinium cations. In addition to identification of radicals using electron paramagnetic resonance spectroscopy (EPR) and selective deuterium substitution, we analyzed stable radiolytic products using {sup 1}H and {sup 13}C nuclear magnetic resonance (NMR) and tandem electrospray ionization mass spectrometry (ESMS). Our EPR studies reveal rich chemistry initiated through 'ionization of the ions': oxidation and the formation of radical dications in the aliphatic arms of the parent cations (leading to deprotonation and the formation of alkyl radicals in these arms) and reduction of the parent cation, yielding 2-imidazolyl radicals. The subsequent reactions of these radicals depend on the nature of the IL. If the cation is 2-substituted, the resulting 2-imidazolyl radical is relatively stable. If there is no substitution at C(2), the radical then either is protonated or reacts with the parent cation forming a C(2)-C(2) {sigma}{sigma}*-bound dimer radical cation. In addition to these reactions, when methoxy or C{sub {alpha}}-substituted alkyl groups occupy the N(1,3) positions, their elimination is observed. The elimination of methyl groups from N(1,3) was not observed. Product analyses of imidazolium liquids irradiated in the very-high-dose regime (6.7 MGy) reveal several detrimental processes, including volatilization, acidification, and oligomerization. The latter yields a polymer with m/z of 650 {+-} 300 whose radiolytic yield increases with dose (0.23 monomer units per 100 eV for 1-methyl-3-butylimidazolium

  11. DNA studies using atomic force microscopy: capabilities for measurement of short DNA fragments

    PubMed Central

    Pang, Dalong; Thierry, Alain R.; Dritschilo, Anatoly

    2015-01-01

    Short DNA fragments, resulting from ionizing radiation induced DNA double strand breaks (DSBs), or released from cells as a result of physiological processes and circulating in the blood stream, may play important roles in cellular function and potentially in disease diagnosis and early intervention. The size distribution of DNA fragments contribute to knowledge of underlining biological processes. Traditional techniques used in radiation biology for DNA fragment size measurements lack the resolution to quantify short DNA fragments. For the measurement of cell-free circulating DNA (ccfDNA), real time quantitative Polymerase Chain Reaction (q-PCR) provides quantification of DNA fragment sizes, concentration and specific gene mutation. A complementary approach, the imaging-based technique using Atomic Force Microscopy (AFM) provides direct visualization and measurement of individual DNA fragments. In this review, we summarize and discuss the application of AFM-based measurements of DNA fragment sizes. Imaging of broken plasmid DNA, as a result of exposure to ionizing radiation, as well as ccfDNA in clinical specimens offer an innovative approach for studies of short DNA fragments and their biological functions. PMID:25988169

  12. Experimental studies of collision and fragmentation phenomena

    NASA Technical Reports Server (NTRS)

    Hartmann, William K.; Davis, D. R.; Weidenschilling, S. J.

    1987-01-01

    The reduction and publication of an extensive data set collected in experiments over several years at Ames and PSI is briefly examined. Hartmann has been assembling data sets from his experiments on catastrophic fragmentation of various materials, including basalt, other igneous rock, ice, and weak dirt clods. Weidenschilling and Davis have continued to gather and reduce data on oblique impacts. The data indicate a power law distribution of ejecta mass vs. velocity, with a slope that is independent of azimuth, and does not vary with impact angle from normal impacts to at least 75 deg from vertical. In order to improve models of coagulation of dust aggregates in the solar nebula, SJW developed an apparatus for drop tests of fragile projectiles. Davis and Weidenschilling continued to collect and analyze experimental data on collisional catastrophic disruption at the Ames Vertical Gun Range.

  13. Polymerase chain reaction-restriction fragment length polymorphism authentication of raw meats from game birds.

    PubMed

    Rojas, María; González, Isabel; Fajardo, Violeta; Martín, Irene; Hernández, Pablo E; García, Teresa; Martín, Rosario

    2008-01-01

    Polymerase chain reaction-restriction fragment length polymorphism (PCR-RFLP) analysis has been applied to the identification of meats from quail (Coturnix coturnix), pheasant (Phasianus colchicus), red-legged partridge (Alectoris rufa), guinea fowl (Numida meleagris), capercaillie (Tetrao urogallus), Eurasian woodcock (Scolopax rusticola), woodpigeon (Columba palumbus), and song thrush (Turdus philomelos). PCR amplification was performed using a set of primers flanking a conserved region of approximately 720 base pairs (bp) from the mitochondrial 12S rRNA gene. Restriction site analysis based on sequence data from this DNA fragment permitted the selection of AluI and BfaI endonucleases for species identification. The restriction profiles obtained when amplicons were digested with the chosen enzymes allowed the unequivocal identification of all game bird species analyzed. However, the use of the PCR-RFLP technique described is limited to raw meat authentication. It is not suitable for cooked products because thermal treatment strongly accelerates DNA degradation leading to difficulties in amplifying the 720 bp fragment. PMID:19202803

  14. Selective population of states in fission fragments from the [sup 32]S+[sup 24]Mg reaction

    SciTech Connect

    Sanders, S.J.; Hasan, A.; Prosser, F.W. ); Back, B.B.; Betts, R.R.; Carpenter, M.P.; Henderson, D.J.; Janssens, R.V.F.; Khoo, T.L.; Moore, E.F.; Wilt, P.R.; Wolfs, F.L.H.; Wuosmaa, A.H. ); Beard, K.B. ); Benet, P. )

    1994-02-01

    The symmetric and near-symmetric mass fission yields from the [sup 32]S+[sup 24]Mg reaction have been studied in a particle-particle-[gamma] coincidence measurement. Evidence is presented for a selective population of states in [sup 28]Si fragments arising from the symmetric fission of the [sup 56]Ni compound nucleus. A statistical-model calculation of the expected strength to specific mutual excitations of the fission fragments is presented and compared to the experimental results. This calculation is found to describe the structures observed at high excitation energy in the fission [ital Q]-value spectra quite well. Analysis of the [gamma]-ray spectra indicates, however, that a specific set of states in [sup 28]Si, corresponding to a highly deformed prolate band, is populated more strongly than expected based on a purely spin-weighted, statistical decay of the compound nucleus. It is suggested that the population pattern of states in the fission fragments may reflect nuclear structure effects at the point of scission.

  15. Global transformation and fate of SOA: Implications of Low Volatility SOA and Gas-Phase Fragmentation Reactions

    SciTech Connect

    Shrivastava, ManishKumar B.; Easter, Richard C.; Liu, Xiaohong; Zelenyuk, Alla; Singh, Balwinder; Zhang, Kai; Ma, Po-Lun; Chand, Duli; Ghan, Steven J.; Jiminez, J. L.; Zhang, Qibin; Fast, Jerome D.; Rasch, Philip J.; Tiitta, P.

    2015-05-16

    Secondary organic aerosols (SOA) are large contributors to fine particle loadings and radiative forcing, but are often represented crudely in global models. We have implemented three new detailed SOA treatments within the Community Atmosphere Model version 5 (CAM5) that allow us to compare the semi-volatile versus non-volatile SOA treatments (based on some of the latest experimental findings) and also investigate the effects of gas-phase fragmentation reactions. For semi-volatile SOA treatments, fragmentation reactions decrease simulated SOA burden from 7.5 Tg to 1.8 Tg. For the non-volatile SOA treatment with fragmentation, the burden is 3.1 Tg. Larger differences between non-volatile and semi-volatile SOA (upto a factor of 5) correspond to continental outflow over the oceans. Compared to a global dataset of surface Aerosol Mass Spectrometer measurements and the US IMPROVE network measurements, the non-volatile SOA with fragmentation treatment (FragNVSOA) agrees best at rural locations. Urban SOA is under-predicted but this may be due to the coarse model resolution. All our three revised treatments show much better agreement with aircraft measurements of organic aerosols (OA) over the N. American Arctic and sub-Arctic in spring and summer, compared to the standard CAM5 formulation. This is due to treating SOA precursor gases from biomass burning, and long-range transport of biomass burning OA at elevated levels. The revised model configuration that include fragmentation (both semi-volatile and non-volatile SOA) show much better agreement with MODIS AOD data over regions dominated by biomass burning during the summer, and predict biomass burning as the largest global source of OA followed by biogenic and anthropogenic sources. The non-volatile and semi-volatile configuration predict the direct radiative forcing of SOA as -0.5 W m-2 and -0.26 W m-2 respectively, at top of the atmosphere, which are higher than previously estimated by most models, but in reasonable

  16. Experimental and numerical study on fragmentation of steel projectiles

    NASA Astrophysics Data System (ADS)

    Råkvaag, K. G.; Børvik, T.; Hopperstad, O. S.; Westermann, I.

    2012-08-01

    A previous experimental study on penetration and perforation of circular Weldox 460E target plates with varying thicknesses struck by blunt-nose projectiles revealed that fragmentation of the projectile occurred if the target thickness or impact velocity exceeded a certain value. Thus, numerical simulations that do not account for fragmentation during impact can underestimate the perforation resistance of protective structures. Previous numerical studies have focused primarily on the target plate behaviour. This study considers the behaviour of the projectile and its possible fragmentation during impact. Hardened steel projectiles were launched at varying velocities in a series of Taylor tests. The impact events were captured using a high-speed camera. Fractography of the fragmented projectiles showed that there are several fracture mechanisms present during the fragmentation process. Tensile tests of the projectile material revealed that the hardened material has considerable variations in yield stress and fracture stress and strain. In the finite element model, the stress-strain behaviour from tensile tests was used to model the projectile material with solid elements and the modified Johnson-Cook constitutive relation. Numerical simulations incorporating the variations in material properties are capable of reproducing the experimental fracture patterns, albeit the predicted fragmentation velocities are too low.

  17. Effects of isospin dynamics on neck fragmentation in isotopic nuclear reactions

    NASA Astrophysics Data System (ADS)

    Feng, Zhao-Qing

    2016-07-01

    The neck dynamics in Fermi-energy heavy-ion collisions, to probe the nuclear symmetry energy in the domain of subsaturation densities, is investigated within an isospin-dependent transport model. The single and double ratios of neutrons to protons from free nucleons and light clusters (complex particles) in the isotopic reactions are analyzed systematically. Isospin effects of particles produced from the neck fragmentations are explored. It is found that the ratios of the energetic isospin particles strongly depend on the stiffness of the nuclear symmetry energy and the effects increase with softening of the symmetry energy, which would be a nice probe for extracting the symmetry energy below the normal density in experiments. A flat structure appears at the tail spectra from the double ratio distributions. The neutron to proton ratio of light intermediate-mass fragments with charge number Z ≤8 is related to the density dependence of the symmetry energy with less sensitivity in comparison to the isospin ratios of nucleons and light particles.

  18. Fragmentation reactions using electrospray ionization mass spectrometry: an important tool for the structural elucidation and characterization of synthetic and natural products.

    PubMed

    Demarque, Daniel P; Crotti, Antonio E M; Vessecchi, Ricardo; Lopes, João L C; Lopes, Norberto P

    2016-03-01

    Over the last decade, the number of studies reporting the use of electrospray ionization mass spectrometry (ESI-MS) in combination with collision cells (or other activation methods) to promote fragmentation of synthetic and natural products for structural elucidation purposes has considerably increased. However, the lack of a systematic compilation of the gas-phase fragmentation reactions subjected to ESI-MS/MS conditions still represents a challenge and has led to many misunderstood results in the literature. This review article exploits the most common fragmentation reactions for ions generated by ESI in positive and negative modes using collision cells in an effort to stimulate the use of this technique by non-specialists, undergraduate students and researchers in related areas. PMID:26673733

  19. 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.

  20. [Characterization of aldehyde dehydrogenase gene fragment from mung bean Vigna radiata using the polymerase chain reaction].

    PubMed

    Ponomarev, A G; Bubiakina, V V; Tatarinova, T D; Zelenin, S M

    1998-01-01

    Two degenerate oligonucleotide sequence primers and polymerase chain reactions on total DNA have been utilized to clone on 651--bp gene fragment coding the central part of amino acid sequence of an earlier unknown aldehyde dehydrogenase (ALDH) from mung bean. The deduced partial amino acid sequence for this aldehyde dehydrogenase shows about 65% sequence identity to ALDHs of Vibrio cholerae Rhodococcus sp., Alcaligenes eutrophus and about 45% sequence identity to mammalian ALDHs 1 and 2, ALDHs of Aspergillus niger and A, nidulans, the betain aldehyde dehydrogenase from spinach. Alignment of the mung bean aldehyde dehydrogenase partial amino acid sequence with the sequence of 16 NAD(P)(+)-dependent aldehyde dehydrogenases has demonstrated that all strictly conserved amino acid residues and all three conservative regions are identical. PMID:9778740

  1. Risk assessment methodologies for target fragments produced in high-energy nucleon reactions

    NASA Technical Reports Server (NTRS)

    Shinn, J. L.; Wilson, J. W.; Ngo, D. M.

    1990-01-01

    Collisions of energetic protons with target nuclei yield nuclear products of large linear energy transfer, and it is usually assumed that the energy of the heavy products is absorbed locally with a quality factor of 20. Past methods of risk assessment have relied on the Bertini (1969) model to evaluate the nuclear reaction products. If the Q(F) of 20 is correct, then a significant underestimate of biological risk from the nuclear products could result from the use of Bertini's model. On the other hand, a Q(F) of 20 is probably too large for some of the lighter fragments, leaving prior risk estimates as possibly correct or even conservative. This issue is discussed here in the context of the recently proposed nuclear data set of Wilson et al. (1989).

  2. Target effects in isobaric yield ratio differences between projectile fragmentation reactions

    NASA Astrophysics Data System (ADS)

    Ma, Chun-Wang; Zhang, Yan-Li; Qiao, Chun-Yuan; Wang, Shan-Shan

    2015-01-01

    Background: The isobaric yield ratio difference (IBD) between reactions is know to be sensitive to the density difference between projectiles in heavy-ion collisions around the Fermi energy. Purpose: The target effects in the isobaric yield ratio (IYR) and the IBD results have been studied. Methods: The amount of isotopes in the 140 A MeV 48 ,40Ca +181Ta /9Be and 58 ,64Ni +181Ta /9Be reactions have been previously measured with high accuracy. The IYR and IBD results have been obtained from these reactions to study the effects of the light 9Be and heavy 181Ta targets. A ratio (rΔ μ) between the IBD results for the reactions with Ta and Be targets is defined to quantitatively show the target dependence of the IBD results. Results The IYRs for reactions with symmetric projectiles are more easily affected than those for reactions with neutron-rich projectiles. The IBD results are suppressed by using the 181Ta target to different degrees. Conclusions: The IYR and IBD results are influenced by the target used. The IBD for the I =1 isobaric chain is suggested as a probe to study the difference between the neutron and proton densities of the reaction systems.

  3. Absorption of protein and protein fragments in the developing intestine: role in immunologic/allergic reactions.

    PubMed

    Walker, W A

    1985-01-01

    An important adaptation of the gastrointestinal tract to the extrauterine environment is its development of a mucosal barrier against the penetration of proteins and protein fragments. To combat the potential danger of invasion across the mucosal barrier the newborn infant must develop within the lumen and on the luminal mucosal surface an elaborate system of defense mechanisms which act to control and maintain the epithelium as an impermeable barrier to the uptake of macromolecular antigens. As a result of a delay in the maturation of the mucosal barrier, newborn infants are particularly vulnerable to pathologic penetration by harmful intraluminal substances. The consequences of altered defense are susceptibility to infection and the potential for hypersensitivity reactions and the formation of immune complexes. With these reactions comes the potential for developing life-threatening diseases such as necrotizing enterocolitis, sepsis, and hepatitis. Fortunately, "nature" has provided a means for passively protecting the "vulnerable" newborn against the dangers of a deficient intestinal defense system, namely human milk. It is now increasingly apparent that human milk contains not only antibodies and viable leukocytes but many other substances that can interfere with bacterial colonization and prevent antigen penetration. PMID:3966050

  4. Genetic divergence between Mexican Opuntia accessions inferred by polymerase chain reaction-restriction fragment length polymorphism analysis.

    PubMed

    Samah, S; Valadez-Moctezuma, E; Peláez-Luna, K S; Morales-Manzano, S; Meza-Carrera, P; Cid-Contreras, R C

    2016-01-01

    Molecular methods are powerful tools in characterizing and determining relationships between plants. The aim of this study was to study genetic divergence between 103 accessions of Mexican Opuntia. To accomplish this, polymerase chain reaction (PCR)-restriction fragment length polymorphism analysis of three chloroplast intergenic spacers (atpB-rbcL, trnL-trnF, and psbA-trnH), one chloroplast gene (ycf1), two nuclear genes (ppc and PhyC), and one mitochondrial gene (cox3) was conducted. The amplified products from all the samples had very similar molecular sizes, and there were only very small differences between the undigested PCR amplicons for all regions, with the exception of ppc. We obtained 5850 bp from the seven regions, and 136 fragments were detected with eight enzymes, 37 of which (27.2%) were polymorphic. We found that 40% of the fragments from the chloroplast regions were polymorphic, 9.8% of the bands detected in the nuclear genes were polymorphic, and 20% of the bands in the mitochondrial locus were polymorphic. trnL-trnF and psbA-trnH were the most variable regions. The Nei and Li/Dice distance was very short, and ranged from 0 to 0.12; indeed, 77 of the 103 genotypes had the same genetic profile. All the xoconostle accessions (acidic fruits) were grouped together without being separated from three genotypes of prickly pear (sweet fruits). We assume that the genetic divergence between prickly pears and xoconostles is very low, and question the number of Opuntia species currently considered in Mexico. PMID:27323120

  5. Energy dependence of fission fragment angular distributions for 19F, 24Mg and 28Si induced reactions on 208Pb

    NASA Astrophysics Data System (ADS)

    Tsang, M. B.; Utsunomiya, H.; Gelbke, C. K.; Lynch, W. G.; Back, B. B.; Saini, S.; Baisden, P. A.; McMahan, M. A.

    1983-09-01

    The energy dependence of fission fragment angular distributions was measured for reaction induced by 19F, 24Mg, and 28Si on 208Pb over the range of incident energies of {E}/{A} = 5.6-10 MeV. For all three systems the angular distributions are inconsistent with the saddle point deformations of the rotating liquid drop model.

  6. An Experimental Study of Launch Vehicle Propellant Tank Fragmentation

    NASA Technical Reports Server (NTRS)

    Richardson, Erin; Jackson, Austin; Hays, Michael; Bangham, Mike; Blackwood, James; Skinner, Troy; Richman, Ben

    2014-01-01

    In order to better understand launch vehicle abort environments, Bangham Engineering Inc. (BEi) built a test assembly that fails sample materials (steel and aluminum plates of various alloys and thicknesses) under quasi-realistic vehicle failure conditions. Samples are exposed to pressures similar to those expected in vehicle failure scenarios and filmed at high speed to increase understanding of complex fracture mechanics. After failure, the fragments of each test sample are collected, catalogued and reconstructed for further study. Post-test analysis shows that aluminum samples consistently produce fewer fragments than steel samples of similar thickness and at similar failure pressures. Video analysis shows that there are several failure 'patterns' that can be observed for all test samples based on configuration. Fragment velocities are also measured from high speed video data. Sample thickness and material are analyzed for trends in failure pressure. Testing is also done with cryogenic and noncryogenic liquid loading on the samples. It is determined that liquid loading and cryogenic temperatures can decrease material fragmentation for sub-flight thicknesses. A method is developed for capture and collection of fragments that is greater than 97 percent effective in recovering sample mass, addressing the generation of tiny fragments. Currently, samples tested do not match actual launch vehicle propellant tank material thicknesses because of size constraints on test assembly, but test findings are used to inform the design and build of another, larger test assembly with the purpose of testing actual vehicle flight materials that include structural components such as iso-grid and friction stir welds.

  7. Frequent occurrence of T cell–mediated late reactions revealed by atopy patch testing with hypoallergenic rBet v 1 fragments

    PubMed Central

    Campana, Raffaela; Moritz, Katharina; Marth, Katharina; Neubauer, Angela; Huber, Hans; Henning, Rainer; Blatt, Katharina; Hoermann, Gregor; Brodie, Tess M.; Kaider, Alexandra; Valent, Peter; Sallusto, Federica; Wöhrl, Stefan; Valenta, Rudolf

    2015-01-01

    Background Late allergic reactions are common in the course of allergen-specific immunotherapy and even occur with allergy vaccines with reduced IgE reactivity. Objective We sought to study atopy patch test (APT) reactions and T-cell responses to the recombinant birch pollen allergen Bet v 1 and recombinant hypoallergenic T-cell epitope–containing Bet v 1 fragments in patients with birch pollen allergy with and without atopic dermatitis (AD). Methods A clinical study was conducted in 15 patients with birch pollen allergy with AD (group 1), 5 patients with birch pollen allergy without AD (group 2), 5 allergic patients without birch pollen allergy (group 3), and 5 nonallergic subjects (group 4) by performing skin prick tests and APTs with rBet v 1 and hypoallergenic rBet v 1 fragments. T-cell, cutaneous lymphocyte antigen (CLA)+ and CCR4+ T-cell and cytokine responses were studied by thymidine uptake, carboxyfluorescein diacetate succinimidyl ester staining, and Luminex technology, respectively. Results rBet v 1 and hypoallergenic rBet v 1 fragments induced APT reactions in not only most of the patients with birch pollen allergy with AD (11/15) but also in most of those without AD (4/5). Patients with birch pollen allergy with AD had higher Bet v 1–specific proliferation of CLA+ and CCR4+ T cells compared with patients with birch pollen allergy without AD. There were no differences in Bet v 1–specific CLA+ and CCR4+ proliferation and cytokine secretion in patients with and without APT reactions. Conclusion Hypoallergenic rBet v 1 fragments induce T cell–dependent late reactions not only in patients with birch pollen allergy with AD but also in those without AD, which can be determined based on APT results but not based on in vitro parameters. PMID:26518092

  8. Molecular beam studies of reaction dynamics

    SciTech Connect

    Lee, Y.T.

    1993-12-01

    The major thrust of this research project is to elucidate detailed dynamics of simple elementary reactions that are theoretically important and to unravel the mechanism of complex chemical reactions or photochemical processes that play important roles in many macroscopic processes. Molecular beams of reactants are used to study individual reactive encounters between molecules or to monitor photodissociation events in a collision-free environment. Most of the information is derived from measurement of the product fragment energy, angular, and state distributions. Recent activities are centered on the mechanisms of elementary chemical reactions involving oxygen atoms with unsaturated hydrocarbons, the dynamics of endothermic substitution reactions, the dependence of the chemical reactivity of electronically excited atoms on the alignment of excited orbitals, the primary photochemical processes of polyatomic molecules, intramolecular energy transfer of chemically activated and locally excited molecules, the energetics of free radicals that are important to combustion processes, the infrared-absorption spectra of carbonium ions and hydrated hydronium ions, and bond-selective photodissociation through electric excitation.

  9. Molecular beam studies of reaction dynamics

    SciTech Connect

    Lee, Yuan T.

    1991-03-01

    The major thrust of this research project is to elucidate detailed dynamics of simple elementary reactions that are theoretically important and to unravel the mechanism of complex chemical reactions or photochemical processes that play important roles in many macroscopic processes. Molecular beams of reactants are used to study individual reactive encounters between molecules or to monitor photodissociation events in a collision-free environment. Most of the information is derived from measurement of the product fragment energy, angular, and state distributions. Recent activities are centered on the mechanisms of elementary chemical reactions involving oxygen atoms with unsaturated hydrocarbons, the dynamics of endothermic substitution reactions, the dependence of the chemical reactivity of electronically excited atoms on the alignment of excited orbitals, the primary photochemical processes of polyatomic molecules, intramolecular energy transfer of chemically activated and locally excited molecules, the energetics of free radicals that are important to combustion processes, the infrared-absorption spectra of carbonium ions and hydrated hydronium ions, and bond-selective photodissociation through electric excitation.

  10. A Study of Fragmentation in a Ni-Al Structural Energetic Material

    NASA Astrophysics Data System (ADS)

    Aydelotte, B.; Braithwaite, C. H.; Thadhani, N. N.; Trexler, M.; Williamson, D. M.

    2011-06-01

    A study of fragmentation behavior of a Ni-Al structural energetic material was undertaken to determine fragment size and distribution as well as study the impact of material microstructure on the fragmentation process. Rings were fabricated from a nearly 100% TMD Ni-Al structural energetic material and subjected to explosive fragmentation experiments. Fragments were recovered for subsequent analysis; PDV velocity data was concurrently collected. Recovered fragments show negligible ductility suggesting that brittle fracture behavior dominates the fragmentation process. Quantitative microscopy and comparisons with existing fragmentation models are presented. This research was funded by ONR/MURI grant No. N00014-07-1-0740 and the SMART scholarship program.

  11. Fission fragment angular distribution for the 19F+197Au fusion-fission reaction at near-barrier energies

    NASA Astrophysics Data System (ADS)

    Tripathi, R.; Sudarshan, K.; Sodaye, S.; Reddy, A. V.; Mahata, K.; Goswami, A.

    2005-04-01

    Angular distribution of fission fragments have been measured for 19F+197Au reaction at bombarding energies from 91 to 110 MeV. Fission fragment angular distributions have been calculated by transition state model with the transmission coefficients obtained using the coupled-channels theory. The calculated angular anisotropies are in good agreement with the experimental anisotropies. The experimental fission cross sections have also been reproduced on the basis of the coupled-channels theory. The results of angular distribution measurement do not show any significant contribution from quasifission as was reported in the literature based on the measurement of evaporation residues and mass distribution.

  12. Fission fragment angular distributions in the reactions {sup 16}O+{sup 188}Os and {sup 28}Si+{sup 176}Yb

    SciTech Connect

    Tripathi, R.; Sudarshan, K.; Sharma, S. K.; Reddy, A. V. R.; Pujari, P. K.; Goswami, A.; Ramachandran, K.

    2009-06-15

    Fission fragment angular distributions have been measured in the reactions {sup 16}O+{sup 188}Os and {sup 28}Si+{sup 176}Yb to investigate the contribution from noncompound nucleus fission. Parameters for statistical model calculations were fixed using fission cross section data in the {sup 16}O+{sup 188}Os reaction. Experimental anisotropies were in reasonable agreement with those calculated using the statistical saddle point model for both reactions. The present results are also consistent with those of mass distribution studies in the fission of {sup 202}Po, formed in the reactions with varying entrance channel mass asymmetry. However, the present studies do not show a large fusion hindrance as reported in the pre-actinide region based on the measurement of evaporation residue cross section.

  13. Implications of Low Volatility SOA and Gas-Phase Fragmentation Reactions on SOA Loadings and their Spatial and Temporal Evolution in the Atmosphere

    SciTech Connect

    Shrivastava, ManishKumar B.; Zelenyuk, Alla; Imre, Dan; Easter, Richard C.; Beranek, Josef; Zaveri, Rahul A.; Fast, Jerome D.

    2013-04-27

    Recent laboratory and field measurements by a number of groups show that secondary organic aerosol (SOA) evaporates orders of magnitude slower than traditional models assume. In addition, chemical transport models using volatility basis set (VBS) SOA schemes neglect gas-phase fragmentation reactions, which are known to be extremely important. In this work, we present modeling studies to investigate the implications of non-evaporating SOA and gas-phase fragmentation reactions. Using the 3-D chemical transport model, WRF-Chem, we show that previous parameterizations, which neglect fragmentation during multi-generational gas-phase chemistry of semi-volatile/inter-mediate volatility organics ("aging SIVOC"), significantly over-predict SOA as compared to aircraft measurements downwind of Mexico City. In sharp contrast, the revised models, which include gas-phase fragmentation, show much better agreement with measurements downwind of Mexico City. We also demonstrate complex differences in spatial SOA distributions when we transform SOA to non-volatile secondary organic aerosol (NVSOA) to account for experimental observations. Using a simple box model, we show that for same amount of SOA precursors, earlier models that do not employ multi-generation gas-phase chemistry of precursors ("non-aging SIVOC"), produce orders of magnitude lower SOA than "aging SIVOC" parameterizations both with and without fragmentation. In addition, traditional absorptive partitioning models predict almost complete SOA evaporation at farther downwind locations for both "non-aging SIVOC" and "aging SIVOC" with fragmentation. In contrast, in our revised approach, SOA transformed to NVSOA implies significantly higher background concentrations as it remains in particle phase even under highly dilute conditions. This work has significant implications on understanding the role of multi-generational chemistry and NVSOA formation on SOA evolution in the atmosphere.

  14. Comparison of detection platforms and post-polymerase chain reaction DNA purification methods for use in conjunction with Cleavase fragment length polymorphism analysis.

    PubMed

    Sander, T; Olson, S; Hall, J; Siebert, M; Grooms, K; Heisler, L; de Arruda, M; Neri, B

    1999-06-01

    The removal of impurities and contaminants from PCR-amplified fragments is important for mutation detection methods which identify mutations based on shifts in electrophoretic mobility. This is particularly critical for assays and detection methods which use target DNA that is labeled prior to analysis and electrophoretic detection. We examined several procedures for purifying DNA amplified by the polymerase chain reaction (PCR) and their use in conjunction with a novel DNA scanning method, the Cleavase fragment length polymorphism (CFLP)* assay. In this study, a 480 bp DNA fragment, fluorescently labeled on the 5'-end of one strand, was amplified and subjected to various widely used purification procedures, including several commercially available clean-up kits. We demonstrate that visualization of the fluorescent label, as opposed to simple ethidium bromide staining, reveals the presence of considerable levels of labeled, truncated, amplification products. The various procedures were evaluated on the basis of their ability to remove these unwanted DNA fragments as well as on the degree to which they inhibited or promoted the CFLP reaction. Several procedures are recommended for use with CFLP analysis, including isopropanol precipitation, gel excision, and several commercially available spin columns. Concurrently, we evaluated (compared) a number of commonly used visualization platforms, including fluorescence imaging, chemiluminescence, and post-electrophoretic staining, for the ability to detect CFLP pattern changes. The advantages and disadvantages of different methods are discussed and amounts of DNA to be used for CFLP analysis on different detection platforms are recommended. PMID:10380752

  15. Luciferase fragment complementation imaging in preclinical cancer studies

    PubMed Central

    Lake, Madryn C.; Aboagye, Eric O.

    2014-01-01

    The luciferase fragment complementation assay (LFCA) enables molecular events to be non-invasively imaged in live cells in vitro and in vivo in a comparatively cheap and safe manner. It is a development of previous enzyme complementation assays in which reporter genes are split into two, individually enzymatically inactive, fragments that are able to complement one another upon interaction. This complementation can be used to externally visualize cellular activities. In recent years, the number of studies which have used LFCAs to probe questions relevant to cancer have increased, and this review summarizes the most significant and interesting of these. In particular, it focuses on work conducted on the epidermal growth factor, nuclear and chemokine receptor families, and intracellular signaling pathways, including IP3, cAMP, Akt, cMyc, NRF2 and Rho GTPases. LFCAs which have been developed to image DNA methylation and detect RNA transcripts are also discussed. PMID:25594026

  16. Study of char gasification reactions

    SciTech Connect

    Ballal, G.D.

    1986-01-01

    A Texas lignite, an anthracite and two bituminous coals, Pittsburgh number8 and Illinois number6, were pyrolyzed in a nitrogen atmosphere to prepare chars. Optical microscopy, mercury porosimetry and gas adsorption techniques using nitrogen, CO/sub 2/ and CO, were employed for pore structure characterization. The lignite char exhibited the fastest rates of gaseous diffusion, followed in order of decreasing diffusivities by the Illinois number6, Pittsburgh number8 and anthracite chars. The changes in reactivities and pore structures of chars were measured experimentally during their reaction with oxygen (400-550C) and CO/sub 2/ (800-1000C). For a particular char-gas system, the normalized rate-conversion pattern was invariant with respect to temperature and gaseous concentration. In the case of lignite and Pittsburgh number8 chars, the rate-conversion pattern was similar during reaction with oxygen and CO/sub 2/. Adsorption experiments on partially reacted chars indicated that the micropores in the lignite char were accessible to both reactants. The micropores in the Illinois number6 char were, however, not accessible during its reaction with oxygen. The evolution of pore structure during reaction was modeled by using a probabilistic approach which accounts for overlapping pores with different shapes and sizes. The kinetics of gasification of the lignite and the Pittsburgh number8 chars was studied using a Langmuir-Hinshelwood type kinetic expression to correlate the experimental data. CO was found to inhibit the reaction substantially. The effect of a potassium carbonate catalyst on the reaction of these two chars was also investigated. Substantial increases in reaction rates were observed, and the enhancement was approximately proportional to the catalyst loading.

  17. Measurement of fragment mass distributions in neutron-induced fission reactions at intermediate energies

    NASA Astrophysics Data System (ADS)

    Simutkin, V. D.; Ryzhov, I. V.; Tutin, G. A.; Vaishnene, L. A.; Blomgren, J.; Pomp, S.; Österlund, M.; Andersson, P.; Bevilacqua, R.; Meulders, J. P.; Prieels, R.

    2009-10-01

    Fragment mass distributions from neutron-induced fission of 232Th and 238U have been measured at quasi-monoenergetic neutron beam of the Louvain-la-Neuve cyclotron facility CYCLONE. The measurements have been carried out making use of a multi-section Frisch-gridded ionization chamber. The measurement technique as well as the data processing is described. Preliminary data on primary fragment mass yields are given for an incident neutron energy of 32.8 MeV.

  18. Limits of a rapid identification of common Mediterranean sandflies using polymerase chain reaction-restriction fragment length polymorphism.

    PubMed

    Bounamous, Azzedine; Lehrter, Véronique; Hadj-Henni, Leila; Delecolle, Jean-Claude; Depaquit, Jérôme

    2014-07-01

    A total of 131 phlebotomine Algerian sandflies have been processed in the present study. They belong to the species Phlebotomus bergeroti, Phlebotomus alexandri, Phlebotomus sergenti, Phlebotomus chabaudi, Phlebotomus riouxi, Phlebotomus perniciosus, Phlebotomus longicuspis, Phlebotomus perfiliewi, Phlebotomus ariasi, Phlebotomus chadlii, Sergentomyia fallax, Sergentomyia minuta, Sergentomyia antennata, Sergentomyia schwetzi, Sergentomyia clydei, Sergentomyia christophersi and Grassomyia dreyfussi. They have been characterised by sequencing of a part of the cytochrome b (cyt b), t RNA serine and NADH1 on the one hand and of the cytochrome C oxidase I of the mitochondrial DNA (mtDNA) on the other hand. Our study highlights two sympatric populations within P. sergenti in the area of its type-locality and new haplotypes of P. perniciosus and P. longicuspis without recording the specimens called lcx previously found in North Africa. We tried to use a polymerase chain reaction-restriction fragment length polymorphism method based on a combined double digestion of each marker. These method is not interesting to identify sandflies all over the Mediterranean Basin. PMID:24936911

  19. Limits of a rapid identification of common Mediterranean sandflies using polymerase chain reaction-restriction fragment length polymorphism

    PubMed Central

    Bounamous, Azzedine; Lehrter, Véronique; Hadj-Henni, Leila; Delecolle, Jean-Claude; Depaquit, Jérôme

    2014-01-01

    A total of 131 phlebotomine Algerian sandflies have been processed in the present study. They belong to the species Phlebotomus bergeroti, Phlebotomus alexandri, Phlebotomus sergenti, Phlebotomus chabaudi, Phlebotomus riouxi, Phlebotomus perniciosus, Phlebotomus longicuspis, Phlebotomus perfiliewi, Phlebotomus ariasi, Phlebotomus chadlii, Sergentomyia fallax, Sergentomyia minuta, Sergentomyia antennata, Sergentomyia schwetzi, Sergentomyia clydei, Sergentomyia christophersi and Grassomyia dreyfussi. They have been characterised by sequencing of a part of the cytochrome b (cyt b), t RNA serine and NADH1 on the one hand and of the cytochrome C oxidase I of the mitochondrial DNA (mtDNA) on the other hand. Our study highlights two sympatric populations within P. sergenti in the area of its type-locality and new haplotypes of P. perniciosus and P. longicuspis without recording the specimens called lcx previously found in North Africa. We tried to use a polymerase chain reaction-restriction fragment length polymorphism method based on a combined double digestion of each marker. These method is not interesting to identify sandflies all over the Mediterranean Basin. PMID:24936911

  20. Projectile-like fragments from {sup 129}Xe+{sup nat}Cu reactions at E/A = 40 MeV

    SciTech Connect

    Russ, D.E.; Mignerey, A.C.; Garcia-Solis, E.J.

    1996-02-01

    The bombarding of heavy nuclei with energetic heavy projectiles has been one of the most important experimental tools for nuclear science. At low beam energies, (E/A) beam <10 MeV, the reactions appear to be dominated by mean field consideration. At higher beam energies, (E/A) beams > 100 MeV, these mean field effects are less important and nucleon-nucleon interactions dominate. Within the intermediate energy region, the situation is less clear because of both the mean field and nucleon-nucleon effects contribute. There is no consensus on the theoretical treatment of nuclear reaction in the intermediate energy regime and statistical, dynamical, and hybrid models have been used with limited success. Previous studies of {sup 136}Xe + {sup 209}Bi at E/A = 28 MeV carried out at Michigan State University (MSU) have been well described by a damped reaction mechanism. On the other hand, {sup 129}Xe + {sup nat}Cu at E/A = 50 MeV also at MSU has been compared with a hybrid model with reasonable success. In order to see a transition from a damped reaction mechanism to more fragmentation-like processes, an experiment was carried out at MSU using {sup 129}Xe beams at E/A = 30, 40, 50, and 60 MeV. The targets were Cu, Sc, and Au. The current study only looks at the projectile-like fragments (PLF) detected in the Maryland Forward Array (MFA).

  1. Interfacial Reaction Studies Using ONIOM

    NASA Technical Reports Server (NTRS)

    Cardelino, Beatriz H.

    2003-01-01

    In this report, we focus on the calculations of the energetics and chemical kinetics of heterogeneous reactions for Organometallic vapor phase epitaxy (OMVPE). The work described in this report builds upon our own previous thermochemical and chemical kinetics studies. The first of these articles refers to the prediction of thermochemical properties, and the latter one deals with the prediction of rate constants for gaseous homolytic dissociation reactions. The calculations of this investigation are at the microscopic level. The systems chosen consisted of a gallium nitride (GaN) substrate, and molecular nitrogen (N2) and ammonia (NH3) as adsorbants. The energetics for the adsorption and the adsorbant dissociation processes were estimated, and reaction rate constants for the dissociation reactions of free and adsorbed molecules were predicted. The energetics for substrate decomposition was also computed. The ONIOM method, implemented in the Gaussian98 program, was used to perform the calculations. This approach has been selected since it allows dividing the system into two layers that can be treated at different levels of accuracy. The atoms of the substrate were modeled using molecular mechanics6 with universal force fields, whereas the adsorbed molecules were approximated using quantum mechanics, based on density functional theory methods with B3LYP functionals and 6-311G(d,p) basis sets. Calculations for the substrate were performed in slabs of several unit cells in each direction. The N2 and NH3 adsorbates were attached to a central location at the Ga-lined surface.

  2. Intraocular Lens Fragmentation Using Femtosecond Laser: An In Vitro Study

    PubMed Central

    Bala, Chandra; Shi, Jeffrey; Meades, Kerrie

    2015-01-01

    Purpose: To transect intraocular lenses (IOLs) using a femtosecond laser in cadaveric human eyes. To determine the optimal in vitro settings, to detect and characterize gasses or particles generated during this process. Methods: A femtosecond laser was used to transect hydrophobic and hydrophilic acrylic lenses. The settings required to enable easy separation of the lens fragment were determined. The gasses and particles generated were analysed using gas chromatography mass spectrometer (GC-MS) and total organic carbon analyzer (TOC), respectively. Results: In vitro the IOL fragments easily separated at the lowest commercially available energy setting of 1 μJ, 8-μm spot, and 2-μm line separation. No particles were detected in the 0.5- to 900-μm range. No significant gasses or other organic breakdown by products were detected at this setting. At much higher energy levels 12 μJ (4 × 6 μm spot and line separation) significant pyrolytic products were detected, which could be harmful to the eye. In cadaveric explanted IOL capsule complex the laser pulses could be applied through the capsule to the IOL and successfully fragment the IOL. Conclusion: IOL transection is feasible with femtosecond lasers. Further in vivo animal studies are required to confirm safety. Translational Relevance: In clinical practice there are a number of large intraocular lenses that can be difficult to explant. This in-vitro study examines the possibility of transecting the lasers quickly using femtosecond lasers. If in-vivo studies are successful, then this innovation could help ophthalmic surgeons in IOL explantation. PMID:26101721

  3. Studies of complex fragment emission in heavy ion reactions

    SciTech Connect

    Charity, R.J.; Sobotka, L.G.

    1991-09-04

    This report discusses the following topics: High energy photon production in a HI collision; the mechanism for the disassembly of excited {sup 16}O projectiles into four alpha particles; the disassembly of excited {sup 28}Si projectiles; large pre-fission multiplicities from temperature; dependent friction and fission barriers; multiplicity correlations; molecular beam induced fusion; dwarf ball and wall; mini wall; and computer and local data acquisition systems.

  4. Molecular Epidemiology of Leptospirosis in Northern Iran by Nested Polymerase Chain Reaction/Restriction Fragment Length Polymorphism and Sequencing Methods

    PubMed Central

    Zakeri, Sedigheh; Sepahian, Neda; Afsharpad, Mandana; Esfandiari, Behzad; Ziapour, Peyman; Djadid, Navid D.

    2010-01-01

    This study was conducted to investigate the prevalence of Leptospira species in Mazandaran Province of Iran by using nested polymerase chain reaction (PCR)/restriction fragment length polymorphism (RFLP) methods and sequencing analysis. Blood samples (n = 119) were collected from humans suspected of having leptospirosis from different parts of the province in 2007. By using an indirect immunofluorescent antibody test (IFAT), we determined that 35 (29.4%) of 119 suspected cases had leptospiral antibody titers ≥ 1:80, which confirmed the diagnosis of leptospirosis. Nested PCR assay also determined that 60 (50.4%) of 119 samples showed Leptospira infection. Furthermore, 44 (73.3%) of 60 confirmed leptospirosis amplified products were subjected to sequencing analysis. Sequence alignment identified L. interrogans, L. kirschneri, and L. wolffii species. All positive cases diagnosed by IFAT or PCR were in patients who reported contact with animals, high-risk occupational activities, and exposure to contaminated water. Therefore, it is important to increase attention about this disease among physicians and to strengthen laboratory capacity for its diagnosis in infected patients in Iran. PMID:20439973

  5. Study of transfer and breakup reactions with the plastic box

    SciTech Connect

    Stokstad, R.G.; Albiston, C.R.; Bantel, M.; Chan, Y.; Countryman, P.J.; Gazes, S.; Harvey, B.G.; Homeyer, H.; Murphy, M.J.; Tserruya, I.

    1984-12-01

    The study of transfer reactions with heavy-ion projectiles is complicated by the frequent presence of three or more nuclei in the final state. One prolific source of three-body reactions is the production of a primary ejectile in an excited state above a particle threshold. A subset of transfer reactions, viz., those producing ejectiles in bound states, can be identified experimentally. This has been accomplished with a 4..pi.. detector constructed of one-millimeter-thick scintillator paddles of dimension 20 cm x 20 cm. The paddles are arranged in the form of a cube centered around the target with small entrance and exit apertures for the beam and the projectile-like fragments, (PLF). The detection of a light particle (e.g., a proton or an alpha particle) in coincidence with a PLF indicates a breakup reaction. The absence of any such coincidence indicates a reaction in which all the charge lost by the projectile was transferred to the target. With this technique we have studied the transfer and breakup reactions induced by 220 and 341 MeV /sup 20/Ne ions on a gold target. Ejectiles from Li to Ne have been measured at several scattering angles. The absolute cross sections, angular distributions and energy spectra for the transfer and breakup reactions are presented. Relatively large cross sections are observed for the complete transfer of up to seven units of charge (i.e., a nitrogen nucleus). The relatively large probabilities for ejectiles to be produced in particle-bound states suggest that on the average, most of the excitation energy in a collision resides in the heavy fragment when mass is transferred from the lighter to the heavier fragment. The gross features and trends in the energy spectra for transfer and breakup reactions are similar. 20 references.

  6. (Laser enhanced chemical reaction studies)

    SciTech Connect

    Not Available

    1992-01-01

    Experimental studies of dynamic molecular processes are described with particular emphasis on the use of a powerful infrared diode laser probe technique developed in our laboratory. This technique allows us to determine the final states of CO{sub 2} (and other molecules) produced by collisions, photofragmentation, or chemical reactions with a spectral resolution of 0.0003 cm{sup {minus}1} and a time resolution of 10{sup {minus}7} sec. Such high spectral resolution provides a detailed picture of the vibrational and rotational states of molecules produced by these dynamic events. We have used this experimental method to probe collisions between hot hydrogen/deuterium atoms and CO{sub 2}, between O({sup 1}D) atoms and CO{sub 2}, to study the final states of DC1 molecules produced as a result of the reactions of hot Cl atoms, and to investigate the dynamics of the reaction between OH and CO molecules. Advances in our techniques over the past two years have allowed us to identify and study more than 200 final rotational states in ten different vibrational levels of CO{sub 2} encompassing all 3 normal modes, many overtones, and combination states of the molecule. We have extended the technique to probe a variety of new molecules such as OCS, N{sub 2}O, DCl, and CS{sub 2}. All of this work is aimed at providing experimental tests for polyatomic molecule potential energy surfaces, chemical transition states in complex systems, and theories of reaction dynamic in molecules with more than 3 atoms.

  7. Identification of blood meal sources of Lutzomyia longipalpis using polymerase chain reaction-restriction fragment length polymorphism analysis of the cytochrome B gene

    PubMed Central

    Soares, Vítor Yamashiro Rocha; da Silva, Jailthon Carlos; da Silva, Kleverton Ribeiro; Cruz, Maria do Socorro Pires e; Santos, Marcos Pérsio Dantas; Ribolla, Paulo Eduardo Martins; Alonso, Diego Peres; Coelho, Luiz Felipe Leomil; Costa, Dorcas Lamounier; Costa, Carlos Henrique Nery

    2014-01-01

    An analysis of the dietary content of haematophagous insects can provide important information about the transmission networks of certain zoonoses. The present study evaluated the potential of polymerase chain reaction-restriction fragment length polymorphism (PCR-RFLP) analysis of the mitochondrial cytochrome B (cytb) gene to differentiate between vertebrate species that were identified as possible sources of sandfly meals. The complete cytb gene sequences of 11 vertebrate species available in the National Center for Biotechnology Information database were digested with Aci I, Alu I, Hae III and Rsa I restriction enzymes in silico using Restriction Mapper software. The cytb gene fragment (358 bp) was amplified from tissue samples of vertebrate species and the dietary contents of sandflies and digested with restriction enzymes. Vertebrate species presented a restriction fragment profile that differed from that of other species, with the exception of Canis familiaris and Cerdocyon thous. The 358 bp fragment was identified in 76 sandflies. Of these, 10 were evaluated using the restriction enzymes and the food sources were predicted for four: Homo sapiens (1), Bos taurus (1) and Equus caballus (2). Thus, the PCR-RFLP technique could be a potential method for identifying the food sources of arthropods. However, some points must be clarified regarding the applicability of the method, such as the extent of DNA degradation through intestinal digestion, the potential for multiple sources of blood meals and the need for greater knowledge regarding intraspecific variations in mtDNA. PMID:24821056

  8. Recent Direct Reaction Experimental Studies with Radioactive Tin Beams

    SciTech Connect

    Jones, K. L.; Ahn, S.; Allmond, J. M.; Ayres, A.; Bardayan, D. W.; Baugher, T.; Bazin, D.; Berryman, J. S.; Bey, A.; Bingham, C.; Cartegni, L.; Cerizza, G.; Chae, K. Y.; Cizewski, J. A.; Gade, A.; Galindo-Uribarri, A.; Garcia-Ruiz, R. F.; Grzywacz, R.; Howard, M. E.; Kozub, R. L.; Liang, J. F.; Manning, B.; Matoš, M.; McDaniel, S.; Miller, D.; Nesaraja, C. D.; O'Malley, P. D.; Padgett, S.; Padilla-Rodal, E.; Pain, S. D.; Pittman, S. T.; Radford, D. C.; Ratkiewicz, A.; Schmitt, K. T.; Shore, A.; Smith, M. S.; Stracener, D. W.; Stroberg, S. R.; Tostevin, J.; Varner, R. L.; Weisshaar, D.; Wimmer, K.; Winkler, R.

    2015-01-01

    Direct reaction techniques are powerful tools to study the single-particle nature of nuclei. Performing direct reactions on short-lived nuclei requires radioactive ion beams produced either via fragmentation or the Isotope Separation OnLine (ISOL) method. Some of the most interesting regions to study with direct reactions are close to the magic numbers where changes in shell structure can be tracked. These changes can impact the final abundances of explosive nucleosynthesis. The structure of the chain of tin isotopes is strongly influenced by the Z = 50 proton shell closure, as well as the neutron shell closures lying in the neutron-rich, N = 82, and neutron-deficient, N = 50, regions. Here, we present two examples of direct reactions on exotic tin isotopes. The first uses a one-neutron transfer reaction and a low-energy reaccelerated ISOL beam to study states in Sn-131 from across the N = 82 shell closure. The second example utilizes a one-neutron knockout reaction on fragmentation beams of neutron-deficient Sn-106,108Sn. In conclusion, In both cases, measurements of γ rays in coincidence with charged particles proved to be invaluable.

  9. Recent Direct Reaction Experimental Studies with Radioactive Tin Beams

    DOE PAGESBeta

    Jones, K. L.; Ahn, S.; Allmond, J. M.; Ayres, A.; Bardayan, D. W.; Baugher, T.; Bazin, D.; Berryman, J. S.; Bey, A.; Bingham, C.; et al

    2015-01-01

    Direct reaction techniques are powerful tools to study the single-particle nature of nuclei. Performing direct reactions on short-lived nuclei requires radioactive ion beams produced either via fragmentation or the Isotope Separation OnLine (ISOL) method. Some of the most interesting regions to study with direct reactions are close to the magic numbers where changes in shell structure can be tracked. These changes can impact the final abundances of explosive nucleosynthesis. The structure of the chain of tin isotopes is strongly influenced by the Z = 50 proton shell closure, as well as the neutron shell closures lying in the neutron-rich, Nmore » = 82, and neutron-deficient, N = 50, regions. Here, we present two examples of direct reactions on exotic tin isotopes. The first uses a one-neutron transfer reaction and a low-energy reaccelerated ISOL beam to study states in Sn-131 from across the N = 82 shell closure. The second example utilizes a one-neutron knockout reaction on fragmentation beams of neutron-deficient Sn-106,108Sn. In conclusion, In both cases, measurements of γ rays in coincidence with charged particles proved to be invaluable.« less

  10. Angular distributions and cross-sections of projectile-like fragments in the 19F + 159Tb reaction

    NASA Astrophysics Data System (ADS)

    Kumar, Amit; Tripathi, R.; Sodaye, S.; Sudarshan, K.; Pujari, P. K.

    2013-01-01

    The angular distribution of projectile-like fragments (PLFs) in the 19F + 159Tb reaction have been measured at beam energy equal to 98MeV. Angular distributions of PLFs showed a systematic change with increasing mass transfer, starting from the peaking at grazing angle for heavier PLFs to very forward peaked angular distributions for lighter PLFs. Cross-sections of the different PLFs were obtained by integrating their centre-of-mass angular distributions. The PLF cross-sections have been compared with the incomplete fusion cross-sections obtained from the earlier measurement of the evaporation residue cross-section. Reduced cross-sections for lighter PLFs were observed to be higher compared to those observed in 19F + 66Zn reaction at similar values of E cm/ V b. Also, elastic scattering measurements were carried out to get information about the grazing angle and total reaction cross-section.

  11. Experimental studies of N/Z equilibration in peripheral collisions using fragment yield ratios

    SciTech Connect

    Keksis, A. L.; May, L. W.; Kohley, Z.; Soisson, S. N.; Stein, B. C.; Wuenschel, S.; Yennello, S. J.; Souliotis, G. A.; Veselsky, M.; Galanopoulos, S.; Shetty, D. V.; Tripathi, R.; Li, B. A.

    2010-05-15

    Peripheral collisions of {sup 40}Ca and {sup 48}Ca projectiles at 32 MeV/nucleon on {sup 112}Sn and {sup 124}Sn targets were studied in this work. The fragments of the projectile-like source (quasiprojectile) were collected with a charged-particle multidetector array. The average value of the neutron-to-proton ratio N/Z of the quasiprojectiles formed in the reactions was determined with two approaches. The first is a direct reconstruction approach using isotopically resolved fragments and is hindered by undetected neutrons leading to lower N/Z values. The second approach, based on the assumption of early fragment formation, employs yield ratios of fragment isobars and is not hindered by undetected neutrons. Using this approach, the amount of N/Z mixing that occurred in the quasiprojectiles (compared to a fully N/Z equilibrated system) was found to be approximately 53%. The experimental results were compared with model calculations. First, the phenomenological DIT (deep inelastic transfer) model was used, followed by the statistical multifragmentation model (SMM). The results of these calculations are in close agreement with the data and indicate that the mean number of undetected neutrons increases with the N/Z of the composite system, accounting for the difference observed between the two approaches of quasiprojectile N/Z determination. Second, the microscopic transport model IBUU (isospin-dependent Boltzmann-Uehling-Uhlenbeck) was employed, providing preliminary results in reasonable agreement with the data. The determination of the degree of N/Z equilibration employing the present fragment yield ratio approach may provide a valuable probe to study the isospin part of the nuclear equation of state in conjunction with detailed microscopic models of the collisions in the Fermi energy regime.

  12. Isotopic production cross sections and recoil velocities of spallation-fission fragments in the reaction {sup 238}U(1A GeV)+d

    SciTech Connect

    Pereira, J.; Benlliure, J.; Casarejos, E.; Armbruster, P.; Enqvist, T.; Schmidt, K.-H.; Bernas, M.; Mustapha, B.; Rejmund, F.; Stephan, C.; Taieeb, J.; Tassan-Got, L.; Boudard, A.; Legrain, R.; Leray, S.; Volant, C.; Wlazlo, W.

    2007-01-15

    Fission fragments of 1A GeV{sup 238}U nuclei interacting with a deuterium target have been investigated with the Fragment Separator (FRS) at Gesellschaft fuer Schwerionenforschung (GSI) by measuring their isotopic production cross sections and velocities. Results, along with those obtained recently for spallation-evaporation fragments, provide a comprehensive analysis of the spallation nuclear productions in this reaction. Details about the experimental performance, data reduction and results are presented.

  13. Popping Balloons: A Case Study of Dynamical Fragmentation

    NASA Astrophysics Data System (ADS)

    Moulinet, Sébastien; Adda-Bedia, Mokhtar

    2015-10-01

    Understanding the physics of fragmentation is important in a wide range of industrial and geophysical applications. Fragmentation processes involve large strain rates and short time scales that take place during crack nucleation and propagation. Using rubber membranes, we develop an experimental analysis that enables us to track the fragmentation process in situ in both time and space. We find that bursting a highly stretched membrane yields a treelike fragmentation network that originates at a single seed crack, followed by successive crack tip-splitting events. We show that a dynamic instability drives this branching mechanism. Fragmentation occurs when the crack tip speed attains a critical velocity for which tip splitting becomes the sole available mechanism of releasing the stored elastic energy. Given the general character of the fragmentation processes, this framework should be applicable to other crack networks in brittle materials.

  14. Popping Balloons: A Case Study of Dynamical Fragmentation.

    PubMed

    Moulinet, Sébastien; Adda-Bedia, Mokhtar

    2015-10-30

    Understanding the physics of fragmentation is important in a wide range of industrial and geophysical applications. Fragmentation processes involve large strain rates and short time scales that take place during crack nucleation and propagation. Using rubber membranes, we develop an experimental analysis that enables us to track the fragmentation process in situ in both time and space. We find that bursting a highly stretched membrane yields a treelike fragmentation network that originates at a single seed crack, followed by successive crack tip-splitting events. We show that a dynamic instability drives this branching mechanism. Fragmentation occurs when the crack tip speed attains a critical velocity for which tip splitting becomes the sole available mechanism of releasing the stored elastic energy. Given the general character of the fragmentation processes, this framework should be applicable to other crack networks in brittle materials. PMID:26565468

  15. HRMS studies on the fragmentation pathways of metallapentalyne

    NASA Astrophysics Data System (ADS)

    Lin, Zhiwei; Zhu, Congqing; Xia, Haiping

    2015-02-01

    The electrospray ionization Fourier transform ion cyclotron resonance mass spectrometry (ESI FT-ICR MS) using collision-induced dissociation (CID) method was applied to investigate the characteristic fragment ions of metalla-aromatic complexes for the first time. The fragmentation process of osmapentalyne, which contained metal-carbon triple bond in a five-membered ring, was discussed in detail. The ESI FT-ICR MS CID experimental results at high resolution mass spectra (HRMS) demonstrated the elemental composition of fragment ions unambiguously, thus a reasonable fragmentation pathway of osmapentalyne was proposed. In addition, the characteristic fragment ions have been investigated, which were specific and useful for the identification of some osmapentalynes complexes. These characteristic fragmentation pathways were helpful to analyze and interpret the stability and property of the parent ion. Also, this method could be used for the characterization of other organometallic complexes, especially containing characteristic isotopic peaks.

  16. Studies of Fission Fragment Rocket Engine Propelled Spacecraft

    NASA Technical Reports Server (NTRS)

    Werka, Robert O.; Clark, Rodney; Sheldon, Rob; Percy, Thomas K.

    2014-01-01

    The NASA Office of Chief Technologist has funded from FY11 through FY14 successive studies of the physics, design, and spacecraft integration of a Fission Fragment Rocket Engine (FFRE) that directly converts the momentum of fission fragments continuously into spacecraft momentum at a theoretical specific impulse above one million seconds. While others have promised future propulsion advances if only you have the patience, the FFRE requires no waiting, no advances in physics and no advances in manufacturing processes. Such an engine unequivocally can create a new era of space exploration that can change spacecraft operation. The NIAC (NASA Institute for Advanced Concepts) Program Phase 1 study of FY11 first investigated how the revolutionary FFRE technology could be integrated into an advanced spacecraft. The FFRE combines existent technologies of low density fissioning dust trapped electrostatically and high field strength superconducting magnets for beam management. By organizing the nuclear core material to permit sufficient mean free path for escape of the fission fragments and by collimating the beam, this study showed the FFRE could convert nuclear power to thrust directly and efficiently at a delivered specific impulse of 527,000 seconds. The FY13 study showed that, without increasing the reactor power, adding a neutral gas to the fission fragment beam significantly increased the FFRE thrust through in a manner analogous to a jet engine afterburner. This frictional interaction of gas and beam resulted in an engine that continuously produced 1000 pound force of thrust at a delivered impulse of 32,000 seconds, thereby reducing the currently studied DRM 5 round trip mission to Mars from 3 years to 260 days. By decreasing the gas addition, this same engine can be tailored for much lower thrust at much higher impulse to match missions to more distant destinations. These studies created host spacecraft concepts configured for manned round trip journeys. While the

  17. Distinction of deep versus superficial clinical and nonclinical isolates of Trichosporon beigelii by isoenzymes and restriction fragment length polymorphisms of rDNA generated by polymerase chain reaction.

    PubMed Central

    Kemker, B J; Lehmann, P F; Lee, J W; Walsh, T J

    1991-01-01

    Fifteen clinical and environmental strains of Trichosporon beigelii were analyzed for similarities by using morphological features, biochemical profiles based on carbon compound assimilation and uric acid utilization, isoenzyme electrophoresis, and restriction fragment length polymorphisms of a segment of genes coding for rRNA expanded with the polymerase chain reaction. The findings suggest that strains that cause invasive disease are distinct from the superficial and the nonclinical isolates and that isolates from the skin and mucosae represent a number of different organisms, including some environmental forms. The study shows that T. beigelii is a complex of genetically distinct organisms and that more than one type is found in clinical samples. Images PMID:1684798

  18. Addition-fragmentation reaction of thionoesters compounds in free-radical polymerisation (methyl, cyanomethyl and styryl): a theoretical interpretation

    NASA Astrophysics Data System (ADS)

    Hannachi, Douniazed; Ouddai, Nadia; Arotçaréna, Michel; Chermette, Henry

    2015-07-01

    A joint experimental and theoretical study has been carried out on reversible addition-fragmentation chain transfer polymerisation (RAFT). We have performed density functional theory calculations at the (Perdew-Burke-Ernzerhof) PBE/triple zeta plus polarisation level to analyse the RAFT mechanisms corresponding to these compounds. Global and local reactivity indices have been calculated to investigate the effect of the addition of methyl, cyanomethyl and styryl radicals on the double bond C=S of thionoester compounds producing an adduct radical. This mechanism is shown to be difficult when the cyanomethyl is used contrarily to the methyl and styryl radicals, in agreement with experimental results. The activation barrier of fragmentation of adduct radicals does not correlate well with the length of fragmented bond (O-Cα). The bond topological analysis of radical adduct predicts that the distance between the oxygen and a critical point (O-CP) in the fragment bond is a good parameter to estimate the activation energy of the fragmentation mechanism. It is shown that the nature of the free radicals is more selective than that of the thionoester compounds. With an overall large agreement with experiments, these theoretical results afford an explanation of the efficiency for the RAFT mechanism.

  19. Molecular beam studies of reaction dynamics

    SciTech Connect

    Lee, Y.T.

    1987-03-01

    Purpose of this research project is two-fold: (1) to elucidate detailed dynamics of simple elementary reactions which are theoretically important and to unravel the mechanism of complex chemical reactions or photo chemical processes which play an important role in many macroscopic processes and (2) to determine the energetics of polyatomic free radicals using microscopic experimental methods. Most of the information is derived from measurement of the product fragment translational energy and angular distributions using unique molecular beam apparati designed for these purposes.

  20. ANOMALOUS REACTION MEAN FREE PATHS OF NUCLEAR PROJECTILE FRAGMENTS FROM HEAVY ION COLLISIONS AT 2 AGeV

    SciTech Connect

    Friedlander, E.M.; Gimpel, R.W.; Heckman, H.H.; Karant, Y.J.; Judek, B.; Ganssauge, E.

    1982-08-01

    We present in detail the description and the analysis of two independent experiments using Bevalac beams of {sup 16}O and {sup 56}Fe. From their results it is concluded that the reaction mean free paths of relativistic projectile fragments, 3 {<=} Z {<=} 26, are shorter for a few centimeters after emission than at large distances where they are compatible with values predicted from experiments on beam nuclei. The probability that this effect is due to a statistical fluctuation is <10{sup -3}. The effect is enhanced in later generations of fragments, the correlation between successive generations suggesting a kind of "memory" for the anomaly. Various systematic and spurious effects as well as conventional explanations are discussed mainly on the basis of direct experimental observations internal to our data, and found not to explain our results. The data can be interpreted by the relatively rare occurrence of anomalous fragments that interact with an unexpectedly large cross section. The statistical methods used in the analysis of the observations are fully described.

  1. Mass resolved angular distribution of fission fragments for near-barrier fusion-fission reactions

    SciTech Connect

    Vorkapic, D.

    1997-05-01

    It is shown that K-equilibration fission can explain the decrease of mass resolved fission fragment anisotropy at larger mass asymmetries. Two competing mechanisms contribute to the anisotropy. The effective moment of inertia and K{sub 0}{sup 2} decreases with the increase of mass asymmetry and contribute to the increase of anisotropy. On the other hand, for larger asymmetries, the barriers are higher and lifetimes are longer. Such systems are more K equilibrated and will have smaller anisotropy. {copyright} {ital 1997} {ital The American Physical Society}

  2. Monitoring the irradiation field of 12C and 16O SOBP beams using positron emitters produced through projectile fragmentation reactions

    NASA Astrophysics Data System (ADS)

    Inaniwa, Taku; Kohno, Toshiyuki; Tomitani, Takehiro; Sato, Shinji

    2008-02-01

    In order to effectively utilize the prominent properties of heavy ions in radiotherapy, it is important to evaluate both the position of the field irradiated with incident ions and the absorbed dose distribution in a patient's body. One of the methods for this purpose is the utilization of the positron emitters produced through the projectile fragmentation reactions of stable heavy ions with target nuclei. In heavy-ion therapy, spread-out Bragg peak (SOBP) beams are used to achieve uniform biological dose distributions in the whole tumor volume. Therefore, in this study, we designed SOBP beams of 30 and 50 mm water-equivalent length (mmWEL) in width for 12C and 16O, and carried out irradiation experiments using them. Water, polyethylene and polymethyl methacrylate were selected as targets to simulate a human body. Pairs of annihilation gamma rays were detected by means of a limited-angle positron camera for 500 s, and annihilation gamma-ray distributions were obtained. The maximum likelihood estimation (MLE) method was applied to the detected distributions for evaluating the positions of the distal and proximal edges of the SOBP in a target. The differences between the positions evaluated with the MLE method and those derived from the measured dose distributions were less than 1.7 mm and 2.5 mm for the distal and the proximal edge, respectively, in all irradiation conditions. When the positions of both edges are determined with the MLE method, the most probable shape of the dose distribution in a target can be estimated simultaneously. The close agreement between the estimated and the measured distributions implied that the shape of the dose distribution in an irradiated target could be evaluated from the detected annihilation gamma-ray distribution.

  3. Fission-fragment angular distributions for the 19F + 208Pb near- and sub-barrier fusion-fission reaction

    NASA Astrophysics Data System (ADS)

    Huanqiao, Zhang; Zuhua, Liu; Jincheng, Xu; Kan, Xu; Jun, Lu; Ming, Ruan

    1990-06-01

    Fission cross sections and angular distributions have been measured for the 19F + 208Pb reaction at bombarding energies from 83 to 105 MeV. The fission excitation function is well reproduced on the basis of the coupled-channels theory. The fission-fragment angular distributions are calculated in terms of the transition-state theory, with the transmission coefficients extracted from the excitation function calculation. It is found that a discrepancy between the observations and the predictions in angular anisotropy of fission fragments exists at near- and sub-barrier energies, except for lower and higher energy regions where the discrepancy tends to disappear. Moreover, the anisotropies as a function of the center-of-mass energy show a shoulder around 82 MeV. Our results clearly indicate the considerable effects of the coupling on the sub-barrier fusion cross section and on the near-barrier compound-nucleus spin distribution, and confirm the prediction of an approximately constant value for the mean square spin of a compound nucleus produced in a far sub-barrier fusion reaction.

  4. Transfer Reaction Studies with JENSA

    NASA Astrophysics Data System (ADS)

    Thompson, P.; Bardayan, D. W.; Blackmon, J. C.; Chipps, K. A.; Greife, U.; Linhardt, L. E.; Kontos, A.; Kozub, R. L.; Matos, M.; Montes, F.; Pain, S. D.; Pittman, S. T.; Sachs, A.; Schatz, H.; Schmitt, K. T.; Smith, M. S.; Jensa Collaboration

    2015-10-01

    The Jet Experiments in Nuclear Structure and Astrophysics (JENSA) gas jet target system was designed to provide a gas target that was pure, localized, and dense. Several commissioning experiments with the JENSA target, performed at Oak Ridge National Laboratory (ORNL), were undertaken to demonstrate the unique capability of JENSA for transfer reaction studies. JENSA has since completed its move from ORNL to the ReA3 reaccelerated beam hall at the National Superconducting Cyclotron Laboratory (NSCL). An overview of the JENSA design and operation will be presented, as well as a brief discussion of the experiments performed at ORNL with JENSA, with a focus on preliminary results from the 20Ne(p,t)18Ne commissioning experiment.

  5. Molecular variation analysis of Aspergillus flavus using polymerase chain reaction-restriction fragment length polymorphism of the internal transcribed spacer rDNA region

    PubMed Central

    Zarrin, Majid; Erfaninejad, Maryam

    2016-01-01

    Aspergillus flavus is the second most common disease-causing species of Aspergillus in humans. The fungus is frequently associated with life-threatening infections in immunocompromised hosts. The primary aim of the present study was to analyze the genetic variability among different isolates of A. flavus using polymerase chain reaction (PCR)-based restriction fragment length polymorphism (RFLP). A total of 62 A. flavus isolates were tested in the study. Molecular variability was searched for by analysis of the PCR amplification of the internal transcribed spacer (ITS) regions of ribosomal DNA using restriction enzymes. PCR using primers for ITS1 and ITS4 resulted in a product of ~600 bp. Amplicons were subjected to digestion with restriction endonucleases EcoRI, HaeIII and TaqI. Digestion of the PCR products using these restriction enzymes produced different patterns of fragments among the isolates, with different sizes and numbers of fragments, revealing genetic variability. In conclusion, ITS-RFLP is a useful molecular tool in screening for nucleotide polymorphisms among A. flavus isolates. PMID:27588085

  6. Sensitivity studies of spin cut-off models on fission fragment observables

    NASA Astrophysics Data System (ADS)

    Thulliez, L.; Litaize, O.; Serot, O.

    2016-03-01

    A fission fragment de-excitation code, FIFRELIN, is being developed at CEA Cadarache. It allows probing the characteristics of the prompt emitted particles, neutrons and gammas, during the de-excitation process of fully accelerated fission fragments. The knowledge of the initial states of the fragments is important to accurately reproduce the fission fragment observables. In this paper a sensitivity study of various spin cut-off models, completely defining the initial fission fragment angular momentum distribution has been performed. This study shows that the choice of the model has a significant impact on gamma observables such as spectrum and multiplicity and almost none on the neutron observables.

  7. Studies of heavy-ion reactions and transuranic nuclei

    NASA Astrophysics Data System (ADS)

    Schroeder, W. U.

    1993-08-01

    Papers on the following topics are included: The Cold-Fusion Saga; Decay Patterns of Dysprosium Nuclei Produced in S-32 + Sn-118,124 Fusion Reactions; Unexpected Features of Reactions Between Very Heavy Ions at Intermediate Bombarding Energies; Correlations Between Neutrons and Charged Products from the Dissipative Reaction Au-197 + Pb-208 at E/A = 29 MeV; Dissipative Dynamics of Projectile-Like Fragment Production in the Reaction Bi-209 + Xe-136 at E/A = 28.2 MeV; Dynamical Production of Intermediate-Mass Fragments in Peripheral Bi-209 + Xe-136 Collisions at E(sub lab)/A = 28.2 MeV; The Rochester 960-Liter Neutron Multiplicity Meter; A Simple Pulse Processing Concept for a Low-Cost Pulse-Shape-Based Particle Identification; A One-Transistor Preamplifier for PMT Anode Signals; A Five-Channel Multistop TDC/Event Handler for the SuperBall Neutron Multiplicity Meter; Construction of the SuperBall - a 16,000-Liter Neutron Detector for Calorimetric Studies of Intermediate-Energy Heavy-Ion Reactions; A Computer Code for Light Detection Efficiency Calculations for Photo-multipliers of a Neutron Detector; Evaluation of Gd-Loaded Liquid Scintillators for the SuperBall Neutron Calorimeter; and Measurement of the Interaction of Cosmic-Ray mu(-) with a Muon Telescope.

  8. Calmodulin Polymerase Chain Reaction-Restriction Fragment Length Polymorphism for Leishmania Identification and Typing.

    PubMed

    Miranda, Aracelis; Samudio, Franklyn; González, Kadir; Saldaña, Azael; Brandão, Adeilton; Calzada, Jose E

    2016-08-01

    A precise identification of Leishmania species involved in human infections has epidemiological and clinical importance. Herein, we describe a preliminary validation of a restriction fragment length polymorphism assay, based on the calmodulin intergenic spacer region, as a tool for detecting and typing Leishmania species. After calmodulin amplification, the enzyme HaeIII yielded a clear distinction between reference strains of Leishmania mexicana, Leishmania amazonensis, Leishmania infantum, Leishmania lainsoni, and the rest of the Viannia reference species analyzed. The closely related Viannia species: Leishmania braziliensis, Leishmania panamensis, and Leishmania guyanensis, are separated in a subsequent digestion step with different restriction enzymes. We have developed a more accessible molecular protocol for Leishmania identification/typing based on the exploitation of part of the calmodulin gene. This methodology has the potential to become an additional tool for Leishmania species characterization and taxonomy. PMID:27352873

  9. Nuclear Structure and Reaction Mechanism Studies with Multinucleon Reactions

    SciTech Connect

    Regan, P. H.; Jones, G. A.; Podolyak, Zs.; Abdullah, M.; Gelletly, W.; Langdown, S. D.; Wollel, G.; De Angelis, G.; Gadea, A.; Kroell, Th.; Marginean, N.; Martinez, T.; Napoli, D. R.; Rusu, C.; Tonev, D.; Zhang, Y. H.; Ur, C. A.; Axiotis, M.; Bazzacco, D.; Farnea, E.

    2006-08-14

    This contribution reports on the results of an experiment to study the near-yrast states in selenium- and osmium-like nuclei, following their population in thick-target, multinucleon transfer reactions between an 82Se beam and a 192Os target. The experimental results for the level scheme for 84Se are presented together with investigations into the use of multi-dimensional gamma-ray energy gating to investigate angular momentum population in such heavy-ion binary reactions.

  10. New Approach for Studying Slow Fragmentation Kinetics in FT-ICR: Surface-Induced Dissociation Combined with Resonant Ejection

    SciTech Connect

    Laskin, Julia; Futrell, Jean H.

    2015-02-01

    We introduce a new approach for studying the kinetics of large ion fragmentation in the gas phase by coupling surface-induced dissociation (SID) in a Fourier transform ion cyclotron resonance mass spectrometer with resonant ejection of selected fragment ions using a relatively short (5 ms) ejection pulse. The approach is demonstrated for singly protonated angiotensin III ions excited by collisions with a self-assembled monolayer of alkylthiol on gold (HSAM). The overall decomposition rate and rate constants of individual reaction channels are controlled by varying the kinetic energy of the precursor ion in a range of 65–95 eV. The kinetics of peptide fragmentation are probed by varying the delay time between resonant ejection and fragment ion detection at a constant total reaction time. RRKM modeling indicates that the shape of the kinetics plots is strongly affected by the shape and position of the energy deposition function (EDF) describing the internal energy distribution of the ion following ion-surface collision. Modeling of the kinetics data provides detailed information on the shape of the EDF and energy and entropy effects of individual reaction channels.

  11. Ugi-4-component reaction enabling rapid access to the core fragment of massadine.

    PubMed

    Chinigo, Gary M; Breder, Alexander; Carreira, Erick M

    2011-01-01

    A rapid method to access the densely functionalized core structure of massadine (1) has been developed. The use of the Ugi-4-component reaction involving a convertible isonitrile and an end-group differentiating ozonolysis constitute the key operations toward the synthesis of the D-ring subunit. PMID:21138327

  12. Investigation of the fission fragment properties of the reaction 238U(n,f) at incident neutron energies up to 5.8 MeV

    NASA Astrophysics Data System (ADS)

    Vivès, F.; Hambsch, F.-J.; Bax, H.; Oberstedt, S.

    2000-01-01

    The fission fragment properties of the reaction 238U(n,f) have been studied, at different incident neutron energies ranging from En=1.2 to 5.8 MeV. The pre-neutron emission mass, kinetic energy and fission fragment angular distributions have been investigated with a double Frisch-gridded ionization chamber. The influence of the subthreshold vibrational resonances and of the proton pairing effect on the fission fragment properties is clearly visible. The total kinetic energy averaged over all fission fragment masses ( overlineTKE) shows an increasing trend up to En=3.5 MeV with a sudden drop at roughly En=3.8 MeV which has been attributed to the onset of pair breaking at the barrier. Above En=3.8 MeV, the overlineTKE is again continuously increasing. The changes in the mass yield and overlineTKE( A) distributions have been studied as a function of the compound nuclear excitation energy and their contribution to the observed variations in the overlineTKE have been determined. The two-dimensional mass-TKE distributions have been described in terms of fission modes and compared with theoretical calculations performed recently in the frame of the multi-modal random neck-rupture model. Although theoretically six asymmetric fission modes are predicted which all surpass individual outer barriers, an interpretation in terms of only two asymmetric modes has physical meaning. This points to an influence of shell structure effects to the observed distributions. In any case, the super-long symmetric mode has to be included, in order to explain the dip in overlineTKE( A) distribution close to symmetry.

  13. Role of angular momentum in the production of complex fragments in fusion and quasifission reactions

    SciTech Connect

    Kalandarov, Sh. A.; Adamian, G. G.; Antonenko, N. V.; Scheid, W.

    2011-05-15

    The influence of angular momentum on the competition between complete fusion followed by the decay of compound nucleus and quasifission channels is treated within the dinuclear system model. The charge distributions of the products in the reactions {sup 28}Si+{sup 96}Zr, {sup 4}He+{sup 130}Te, and {sup 40}Ca+{sup 82}Kr are predicted at bombarding energies above the Coulomb barrier. The results of calculations for the reactions {sup 93}Nb+{sup 9}Be,{sup 12}C,{sup 27}Al; {sup 84}Kr+{sup 27}Al; {sup 86}Kr+{sup 63}Cu; {sup 139}La+{sup 12}C,{sup 27}Al; and {sup 45}Sc+{sup 65}Cu are compared with the available experimental data.

  14. Studies on the Synthesis of Reidispongiolide A: Stereoselective Synthesis of the C(22)-C(36) Fragment

    PubMed Central

    Ying, Maben; Roush, William R.

    2011-01-01

    A highly stereoselective synthesis of the C(22)-C(36) fragment 2 of reidispongiolide A is described. This synthesis features the highly stereoselective mismatched double asymmetric crotylboration reaction of the aldehyde derived from 5 and the new chiral reagent (S)-(E)-7 that provides 12 with >15:1 d.r. Subsequent coupling of the derived vinyl iodide 3 with aldehyde 16 provided allylic alcohol 17, that was elaborated by three steps into the targeted reidispongiolide fragment 2. PMID:22711935

  15. Experimental Study of Serpentinization Reactions

    NASA Technical Reports Server (NTRS)

    Cohen, B. A.; Brearley, A. J.; Ganguly, J.; Liermann, H.-P.; Keil, K.

    2004-01-01

    Current carbonaceous chondrite parent-body thermal models [1-3] produce scenarios that are inconsistent with constraints on aqueous alteration conditions based on meteorite mineralogical evidence, such as phase stability relationships within the meteorite matrix minerals [4] and isotope equilibration arguments [5, 6]. This discrepancy arises principally because of the thermal runaway effect produced by silicate hydration reactions (here loosely called serpentinization, as the principal products are serpentine minerals), which are so exothermic as to produce more than enough heat to melt more ice and provide a self-sustaining chain reaction. One possible way to dissipate the heat of reaction is to use a very small parent body [e.g., 2] or possibly a rubble pile model. Another possibility is to release this heat more slowly, which depends on the alteration reaction path and kinetics.

  16. Fission-fragment angular distributions and excitation functions in fission following complete fusion and targetlike-fragment fission reactions of 19F+232Th at near- and sub-barrier energies

    NASA Astrophysics Data System (ADS)

    Majumdar, N.; Bhattacharya, P.; Biswas, D. C.; Choudhury, R. K.; Nadkarni, D. M.; Saxena, A.

    1995-06-01

    The fragment angular distributions and excitation functions of the fission following complete fusion (FFCF) have been measured after separating them from targetlike-fragment fission (TLFF) for the 19F+232Th system in the bombarding energy range of 84.5 to 106.5 MeV. The fraction of the targetlike-fragment fission was observed to increase with decreasing bombarding energy below the Coulomb barrier. The excitation function for fission following complete fusion reaction agrees well with coupled channel calculations. However, the values derived from the fragment anisotropy data of the FFCF events are found to be much larger than those calculated using the coupled channel transmission coefficient values. The discrepancy between the experimental and calculated values increases as the bombarding energy is decreased below the barrier.

  17. Experimental and numerical studies of high-velocity impact fragmentation

    SciTech Connect

    Kipp, M.E.; Grady, D.E.; Swegle, J.W.

    1993-08-01

    Developments are reported in both experimental and numerical capabilities for characterizing the debris spray produced in penetration events. We have performed a series of high-velocity experiments specifically designed to examine the fragmentation of the projectile during impact. High-strength, well-characterized steel spheres (6.35 mm diameter) were launched with a two-stage light-gas gun to velocities in the range of 3 to 5 km/s. Normal impact with PMMA plates, thicknesses of 0.6 to 11 mm, applied impulsive loads of various amplitudes and durations to the steel sphere. Multiple flash radiography diagnostics and recovery techniques were used to assess size, velocity, trajectory and statistics of the impact-induced fragment debris. Damage modes to the primary target plate (plastic) and to a secondary target plate (aluminum) were also evaluated. Dynamic fragmentation theories, based on energy-balance principles, were used to evaluate local material deformation and fracture state information from CTH, a three-dimensional Eulerian solid dynamics shock wave propagation code. The local fragment characterization of the material defines a weighted fragment size distribution, and the sum of these distributions provides a composite particle size distribution for the steel sphere. The calculated axial and radial velocity changes agree well with experimental data, and the calculated fragment sizes are in qualitative agreement with the radiographic data. A secondary effort involved the experimental and computational analyses of normal and oblique copper ball impacts on steel target plates. High-resolution radiography and witness plate diagnostics provided impact motion and statistical fragment size data. CTH simulations were performed to test computational models and numerical methods.

  18. Model for projectile fragmentation: Case study for Ni on Ta and Be, and Xe on Al

    SciTech Connect

    Mallik, S.; Chaudhuri, G.; Das Gupta, S.

    2011-04-15

    For projectile fragmentation, we work out details of a model whose origin can be traced back to the Bevalac era. The model positions itself between the phenomenological empirical parametrization of fragmentation cross sections (EPAX) and microscopic transport models like the heavy ion phase-space exploration (HIPSE) model and antisymmetrized molecular dynamics (AMD) model. We apply the model to some recent data of projectile fragmentation of Ni on Ta and Be at beam energy 140 MeV/nucleon and some older data of Xe on Al at beam energy 790 MeV/nucleon. Reasonable values of cross sections for various composites populated in the reactions are obtained.

  19. Studies toward the Total Synthesis of Dihydrolycolucine. Preparation of AB and CEF Ring Fragments

    PubMed Central

    2015-01-01

    A strategy for the synthesis of the lycopodium alkaloid dihydrolycolucine (1) has been investigated. Synthetic routes were developed based on N-acylpyridinium salt chemistry to prepare target fragments 3 and 4 that could ultimately converge to the natural product. Key reactions include IMDA cycloadditions and retro-Mannich ring-openings to form both the AB and the EF ring fragments. The ring C precursor was prepared using pyridine substitution and directed lithiation chemistry. A Suzuki cross-coupling of rings C and EF led to the CEF ring fragment. Initial attempts at closure of the seven-membered D ring were unsuccessful. PMID:24841361

  20. Effects of forest fragmentation on nocturnal Asian birds: A case study from Xishuangbanna, China

    PubMed Central

    DAYANANDA, Salindra K.; GOODALE, Eben; LEE, Myung-bok; LIU, Jia-Jia; MAMMIDES, Christos; PASION, Bonifacio O.; QUAN, Rui-Chang; SLIK, J. W. Ferry; SREEKAR, Rachakonda; TOMLINSON, Kyle W.; YASUDA, Mika

    2016-01-01

    Owls have the potential to be keystone species for conservation in fragmented landscapes, as the absence of these predators could profoundly change community structure. Yet few studies have examined how whole communities of owls respond to fragmentation, especially in the tropics. When evaluating the effect of factors related to fragmentation, such as fragment area and distance to the edge, on these birds, it is also important in heterogeneous landscapes to ask how ‘location factors’ such as the topography, vegetation and soil of the fragment predict their persistence. In Xishuangbanna, southwest China, we established 43 transects (200 m×60 m) within 20 forest fragments to sample nocturnal birds, both visually and aurally. We used a multimodel inference approach to identify the factors that influence owl species richness, and generalized linear mixed models to predict the occurrence probabilities of each species. We found that fragmentation factors dominated location factors, with larger fragments having more species, and four of eight species were significantly more likely to occur in large fragments. Given the potential importance of these birds on regulating small mammal and other animal populations, and thus indirectly affecting seed dispersal, we suggest further protection of large fragments and programs to increase their connectivity to the remaining smaller fragments. PMID:27265653

  1. Effects of forest fragmentation on nocturnal Asian birds: A case study from Xishuangbanna, China.

    PubMed

    K Dayananda, Salindra; Goodale, Eben; Lee, Myung-Bok; Liu, Jia-Jia; Mammides, Christos; O Pasion, Bonifacio; Quan, Rui-Chang; W Ferry Slik, J; Sreekar, Rachakonda; W Tomlinson, Kyle; Yasuda, Mika

    2016-05-18

    Owls have the potential to be keystone species for conservation in fragmented landscapes, as the absence of these predators could profoundly change community structure. Yet few studies have examined how whole communities of owls respond to fragmentation, especially in the tropics. When evaluating the effect of factors related to fragmentation, such as fragment area and distance to the edge, on these birds, it is also important in heterogeneous landscapes to ask how 'location factors' such as the topography, vegetation and soil of the fragment predict their persistence. In Xishuangbanna, southwest China, we established 43 transects (200 m×60 m) within 20 forest fragments to sample nocturnal birds, both visually and aurally. We used a multimodel inference approach to identify the factors that influence owl species richness, and generalized linear mixed models to predict the occurrence probabilities of each species. We found that fragmentation factors dominated location factors, with larger fragments having more species, and four of eight species were significantly more likely to occur in large fragments. Given the potential importance of these birds on regulating small mammal and other animal populations, and thus indirectly affecting seed dispersal, we suggest further protection of large fragments and programs to increase their connectivity to the remaining smaller fragments. PMID:27265653

  2. Kinetic studies of elementary chemical reactions

    SciTech Connect

    Durant, J.L. Jr.

    1993-12-01

    This program concerning kinetic studies of elementary chemical reactions is presently focussed on understanding reactions of NH{sub x} species. To reach this goal, the author is pursuing experimental studies of reaction rate coefficients and product branching fractions as well as using electronic structure calculations to calculate transition state properties and reaction rate calculations to relate these properties to predicted kinetic behavior. The synergy existing between the experimental and theoretical studies allow one to gain a deeper insight into more complex elementary reactions.

  3. Heavy-ion fragmentation studies in thick water absorbers

    NASA Technical Reports Server (NTRS)

    Shavers, M. R.; Miller, J.; Schimmerling, W.; Wilson, J. W.; Townsend, L. W.

    1993-01-01

    Proposed long-term space missions could expose crewmembers to significant fluxes of galactic cosmic radiation (GCR) particles and secondary particles created from nuclear collisions. An assessment of radiobiological risks is dependent upon an accurate description of the charged-particle radiation field inside the human body. As shield thickness increases and the incident ions are slowed, the production of secondary particles contributes an increasingly significant fraction of the total dose until eventually secondary particles become more important than the primary particles. The nuclear mean free path of the GCR ions (which usually have nuclear charge between 1 (protons) and 26 (iron), both inclusive) are comparable with thicknesses typical of spacecraft structures and the human body. Collisions in these media will create projectile and target fragments with charge less than that of the primary particle, and each interaction event can have a multiplicity of more than one emerging interaction product. Projectile fragments usually continue on with very nearly the velocity of the primary ion (the so-called straightahead approximation). Having sufficient energy, the fragments may collide with atomic nuclei in thick shields and create a second generation of fragments, and so on. Target fragments are emitted from a struck nucleus, usually with much lower energy than projectile fragments and nearly isotropically in the rest frame of the absorbing medium. The resulting spectrum of particles and their energy loss rates will be very different from that in the unshielded environment, will determine the radiobiological impact on exposed living tissues -- whether in space or in ground-based radiobiology experiments -- and will play an important role in radiation effects on microelectronics.

  4. Mass and charge distributions in iron-induced reactions and excitation energy division between the fragments of the 672-MeV {sup 56}Fe + {sup 165}Ho reaction

    SciTech Connect

    Madani, H.

    1993-05-01

    The projectile-like and target-like fragments produced by the 12-MeV/nucleon {sup 56}Fe + {sup 165}Ho reaction were detected in coincidence. The measured parameters were the mass, charge, kinetic energy scattering angle of the projectile-like fragments, and the scattering angle of the target-like fragments. The mass and charge distributions of the projectile-like fragments were generated as a function of energy loss, and characterized by their centroids, variances, and correlation coefficients. The neutron drift of the measured projectile-like products is mostly due to evaporative processes, while the charge drift is a result of a net transfer of protons from the projectile-like fragment to the target-like fragment. The result is a weak drift of the system towards mass asymmetry. The predictions of two nucleon exchange models are compared to the experimental results of the 672-MeV {sup 56}Fe + {sup 165}Ho reaction and other Fe-induced reactions. The fairly good agreement between the experimental and theoretical variances verifies the prevalence of a nucleon exchange mechanism in these reactions. The information from the coincidence measurement and two-body kinematics are used to reconstruct the pre-evaporation masses of the projectile-like and target-like fragments of the reaction. Statistical evaporation calculations are used to translate these masses into excitation energies of the primary fragments. The ratio of excitation energy stored in the projectile-Mm fragment decreases with increasing energy loss, in qualitative agreement with previous measurements; however, higher ratios are observed for the 672-MeV {sup 56}Fe on {sup 165}Ho system.

  5. Mass and charge distributions in iron-induced reactions and excitation energy division between the fragments of the 672-MeV [sup 56]Fe + [sup 165]Ho reaction

    SciTech Connect

    Madani, H.

    1993-01-01

    The projectile-like and target-like fragments produced by the 12-MeV/nucleon [sup 56]Fe + [sup 165]Ho reaction were detected in coincidence. The measured parameters were the mass, charge, kinetic energy scattering angle of the projectile-like fragments, and the scattering angle of the target-like fragments. The mass and charge distributions of the projectile-like fragments were generated as a function of energy loss, and characterized by their centroids, variances, and correlation coefficients. The neutron drift of the measured projectile-like products is mostly due to evaporative processes, while the charge drift is a result of a net transfer of protons from the projectile-like fragment to the target-like fragment. The result is a weak drift of the system towards mass asymmetry. The predictions of two nucleon exchange models are compared to the experimental results of the 672-MeV [sup 56]Fe + [sup 165]Ho reaction and other Fe-induced reactions. The fairly good agreement between the experimental and theoretical variances verifies the prevalence of a nucleon exchange mechanism in these reactions. The information from the coincidence measurement and two-body kinematics are used to reconstruct the pre-evaporation masses of the projectile-like and target-like fragments of the reaction. Statistical evaporation calculations are used to translate these masses into excitation energies of the primary fragments. The ratio of excitation energy stored in the projectile-Mm fragment decreases with increasing energy loss, in qualitative agreement with previous measurements; however, higher ratios are observed for the 672-MeV [sup 56]Fe on [sup 165]Ho system.

  6. Study of Analytic Statistical Model for Decay of Light and Medium Mass Nuclei in Nuclear Fragmentation

    NASA Technical Reports Server (NTRS)

    Cucinotta, Francis A.; Wilson, John W.

    1996-01-01

    The angular momentum independent statistical decay model is often applied using a Monte-Carlo simulation to describe the decay of prefragment nuclei in heavy ion reactions. This paper presents an analytical approach to the decay problem of nuclei with mass number less than 60, which is important for galactic cosmic ray (GCR) studies. This decay problem of nuclei with mass number less than 60 incorporates well-known levels of the lightest nuclei (A less than 11) to improve convergence and accuracy. A sensitivity study of the model level density function is used to determine the impact on mass and charge distributions in nuclear fragmentation. This angular momentum independent statistical decay model also describes the momentum and energy distribution of emitted particles (n, p, d, t, h, and a) from a prefragment nucleus.

  7. Studies of the Fischer-Tropsch reaction on Co(0001)

    NASA Astrophysics Data System (ADS)

    Geerlings, J. J. C.; Zonnevylle, M. C.; de Groot, C. P. M.

    1991-01-01

    The Fischer-Tropsch reaction has been studied over Co(0001) in the temperature range between 220 and 300 °C at 1 bar total pressure and an H 2 : CO ratio of 2 : 1. It was found that the activation energies for methane, ethane and propane formation are equ which suggests similar rate determining steps. We propose that α-hydrogenation of a C nH 2 n+1 surface species is rate limiting. Olefins are formed via β-dehydrogenation of the same species. The olefins take part in a consecutive reaction and are finally converted to paraffins. The product distribution was found to follow Schulz-Flory kinetics with a chain growth probability of 0.2 at 250 °C. Post-reaction spectroscopy with EELS and Auger indicated the presence of CO and CH x ( x = 1, 2, 3) fragments on the surface.

  8. Theoretical studies on shaking processes in nuclear transfer reactions

    NASA Astrophysics Data System (ADS)

    Sharma, Prashant; Nandi, Tapan

    2015-09-01

    The probabilities of shaking processes during nuclear transfer reactions have been studied using the Mukoyama formalism after the re-examination of formalism for β-decay processes. Electron shakeoff probabilities have been calculated for the α-transfer reaction in the range of Z = 10- 50. The Z-dependence on the shakeoff probabilities so obtained has been represented by an analytical equation with two parameters. The formalism has been applied on a typical nuclear transfer reaction Fe5626 +C126 →Ni6028 +Be84 and it is found that electron shakeup, shakedown and shakeoff probabilities dominate for low l quantum number of the respective shells of the projectile-like fragment ion. However, for a particular value of l these processes show high probabilities for low values of n quantum number.

  9. High-resolution (e, 2e + ion) study of electron-impact ionization and fragmentation of methane

    SciTech Connect

    Ren, Xueguang Pflüger, Thomas; Weyland, Marvin; Baek, Woon Yong; Rabus, Hans; Ullrich, Joachim; Dorn, Alexander

    2015-05-07

    The ionization and fragmentation of methane induced by low-energy (E{sub 0} = 66 eV) electron-impact is investigated using a reaction microscope. The momentum vectors of all three charged final state particles, two outgoing electrons, and one fragment ion, are detected in coincidence. Compared to the earlier study [Xu et al., J. Chem. Phys. 138, 134307 (2013)], considerable improvements to the instrumental mass and energy resolutions have been achieved. The fragment products CH{sub 4}{sup +}, CH{sub 3}{sup +}, CH{sub 2}{sup +}, CH{sup +}, and C{sup +} are clearly resolved. The binding energy resolution of ΔE = 2.0 eV is a factor of three better than in the earlier measurements. The fragmentation channels are investigated by measuring the ion kinetic energy distributions and the binding energy spectra. While being mostly in consistence with existing photoionization studies the results show differences including missing fragmentation channels and previously unseen channels.

  10. Rational Design of High-Number dsDNA Fragments Based on Thermodynamics for the Construction of Full-Length Genes in a Single Reaction

    PubMed Central

    Birla, Bhagyashree S.; Chou, Hui-Hsien

    2015-01-01

    Gene synthesis is frequently used in modern molecular biology research either to create novel genes or to obtain natural genes when the synthesis approach is more flexible and reliable than cloning. DNA chemical synthesis has limits on both its length and yield, thus full-length genes have to be hierarchically constructed from synthesized DNA fragments. Gibson Assembly and its derivatives are the simplest methods to assemble multiple double-stranded DNA fragments. Currently, up to 12 dsDNA fragments can be assembled at once with Gibson Assembly according to its vendor. In practice, the number of dsDNA fragments that can be assembled in a single reaction are much lower. We have developed a rational design method for gene construction that allows high-number dsDNA fragments to be assembled into full-length genes in a single reaction. Using this new design method and a modified version of the Gibson Assembly protocol, we have assembled 3 different genes from up to 45 dsDNA fragments at once. Our design method uses the thermodynamic analysis software Picky that identifies all unique junctions in a gene where consecutive DNA fragments are specifically made to connect to each other. Our novel method is generally applicable to most gene sequences, and can improve both the efficiency and cost of gene assembly. PMID:26716828

  11. Investigation of the reaction {sup 208}Pb({sup 18}O, f): Fragment spins and phenomenological analysis of the angular anisotropy of fission fragments

    SciTech Connect

    Rusanov, A. Ya. Adeev, G. D.; Itkis, M. G.; Karpov, A. V.; Nadtochy, P. N.; Pashkevich, V. V.; Pokrovsky, I. V.; Salamatin, V. S.; Chubarian, G. G.

    2007-10-15

    The average multiplicity of gamma rays emitted by fragments originating from the fission of {sup 226}Th nuclei formed via a complete fusion of {sup 18}O and {sup 208}Pb nuclei at laboratory energies of {sup 18}O projectile ions in the range E{sub lab} = 78-198.5 MeV is measured and analyzed. The total spins of fission fragments are found and used in an empirical analysis of the energy dependence of the anisotropy of these fragments under the assumption that their angular distributions are formed in the vicinity of the scission point. The average temperature of compound nuclei at the scission point and their average angular momenta in the entrance channel are found for this analysis. Also, the moments of inertia are calculated for this purpose for the chain of fissile thorium nuclei at the scission point. All of these parameters are determined at the scission point by means of three-dimensional dynamical calculations based on Langevin equations. A strong alignment of fragment spins is assumed in analyzing the anisotropy in question. In that case, the energy dependence of the anisotropy of fission fragments is faithfully reproduced at energies in excess of the Coulomb barrier (E{sub c.m.} - E{sub B} {>=} 30 MeV). It is assumed that, as the excitation energy and the angular momentum of a fissile nucleus are increased, the region where the angular distributions of fragments are formed is gradually shifted from the region of nuclear deformations in the vicinity of the saddle point to the region of nuclear deformations in the vicinity of the scission point, the total angular momentum of the nucleus undergoing fission being split into the orbital component, which is responsible for the anisotropy of fragments, and the spin component. This conclusion can be qualitatively explained on the basis of linear-response theory.

  12. Molecular typing of Iranian mycobacteria isolates by polymerase chain reaction-restriction fragment length polymorphism analysis of 360-bp rpoB gene

    PubMed Central

    Hadifar, Shima; Moghim, Sharareh; Fazeli, Hossein; GhasemianSafaei, Hajieh; Havaei, Seyed Asghar; Farid, Fariba; Esfahani, Bahram Nasr

    2015-01-01

    Background: Diagnosis and typing of Mycobacterium genus provides basic tools for investigating the epidemiology and pathogenesis of this group of bacteria. Polymerase chain reaction (PCR)-restriction fragment length polymorphism analysis (PRA) is an accurate method providing diagnosis and typing of species of mycobacteria. The present study is conducted by the purpose of determining restriction fragment profiles of common types of mycobacteria by PRA method of rpoB gene in this geographical region. Materials and Methods: Totally 60 clinical and environmental isolates from February to October, 2013 were collected and subcultured and identified by phenotypic methods. A 360 bp fragment of the rpoB gene amplified by PCR and products were digested by MspI and HaeIII enzymes. Results: In the present study, of all mycobacteria isolates identified by PRA method, 13 isolates (21.66%) were Mycobacterium tuberculosis, 34 isolates (56.66%) were rapidly growing Nontuberculosis Mycobacteria (NTM) that including 26 clinical isolates (43.33%) and 8 environmental isolates (13.33%), 11 isolates (18.33%) were clinical slowly growing NTM. among the clinical NTM isolates, Mycobacterium fortuitum Type I with the frequency of 57.77% was the most prevalent type isolates. Furthermore, an unrecorded of the PRA pattern of Mycobacterium conceptionense (HeaIII: 120/90/80, MspI: 120/105/80) was found. This study demonstrated that the PRA method was high discriminatory power for identification and typing of mycobacteria species and was able to identify 96.6% of all isolates. Conclusion: Based on the result of this study, rpoB gene could be a potentially useful tool for identification and investigation of molecular epidemiology of mycobacterial species. PMID:26380237

  13. [Microclimate edge effects of evergreen broad-leaved forest fragments in Jinyun Mountain: a preliminary study].

    PubMed

    Yan, Min; Zhong, Zhangchen; Qiao, Xiuhong

    2006-01-01

    This paper studied the microclimate of continuous and fragmental evergreen broad-leaved forests in Jinyun Mountain by determining the horizontal gradient distribution of microclimate elements near forest edges. The results showed that there existed clear edge effects of microclimate in every edge of fragmental forests. The distinctions of maximum and minimum air temperature, photosynthetic active radiation, and minimum relative humidity between edge forest and interior forest were higher or greater, while that of maximum ground surface temperature was lower or smaller in dry season than in rain season. The edge effect was the smallest in the biggest fragmental patch, but the greatest in the smallest fragmental patch in interior forest. PMID:16689226

  14. Polymerase chain reaction-restriction fragment length polymorphism assays to distinguish Liriomyza huidobrensis (Diptera: Agromyzidae) from associated species on lettuce cropping systems in Italy.

    PubMed

    Masetti, Antonio; Luchetti, Andrea; Mantovani, Barbara; Burgio, Giovanni

    2006-08-01

    The pea leafminer, Liriomyza huidobrensis (Blanchard) (Diptera: Agromyzidae), is a serious insect pest infesting open field lettuce plantings in northern Italy. In these cropping systems, it coexists with several other agromyzid species that have negligible economic importance on open field vegetables. The rapid detection of L. huidobrensis is crucial for effective management strategies, but the identification of agromyzids to species can be very difficult at adult as well at immature stages. In this study, a polymerase chain reaction (PCR)-restriction fragment length polymorphism assay is proposed to separate L. huidobrensis from Liriomyza bryoniae (Kaltenbach), Liriomyza trifolii (Burgess), and Chromatomyia horticola (Goureau), which usually occur in the same lettuce plantings. An approximately 1,031-bp region of the mitochondrial genome encompassing the 3' region of cytochrome oxidase I, the whole leucine tRNA, and all of the cytochrome oxidase II was amplified by PCR and digested using the enzymes PvuII and SnaBI separately. Both endonucleases cut the amplicons of L. huidobrensis in two fragments, whereas the original band was not cleaved in the other analyzed species. The presence of Dacnusa spp. DNA does not bias the assay, because the PCR conditions and the primer set here described do not amplify any tract of this endoparasitic wasp genome. PMID:16937681

  15. The Influence of Contour Fragmentation on Recognition Memory: An Event-Related Potential Study

    ERIC Educational Resources Information Center

    Brodeur, Mathieu B.; Debruille, J. Bruno; Renoult, Louis; Prevost, Marie; Dionne-Dostie, Emmanuelle; Buchy, Lisa; Lepage, Martin

    2011-01-01

    The present study was carried out to examine how the event-related potentials to fragmentation predict recognition success. Stimuli were abstract meaningless figures that were either complete or fragmented to various extents but still recoverable. Stimuli were first encoded as part of a symmetry discrimination task. In a subsequent recognition…

  16. Metallographic study of metallic fragment of lunar surface material

    NASA Technical Reports Server (NTRS)

    Mints, R. I.; Petukhova, T. M.; Ivanov, A. V.

    1974-01-01

    A high precision investigation of a metallic fragment from the lunar material returned by the Soviet Luna 16 automatic station revealed three characteristic temperature intervals with different kinetics of solid solution decomposition. The following were found in the structure of the iron-nickel-cobalt alloy: (1) delta-phase and alpha-ferrite of diffusional, displacement origin in the grain boundary and acicular forms; and (2) martensite of isothermal and athermal nature, acicular, lamellar, massive, and dendritic. The diversity of the shapes of structural constituents is associated with the effect on their formation of elastic distortions and various mechanisms of deformation relaxation processes.

  17. Experimental study of micro-spalling fragmentation from melted lead

    NASA Astrophysics Data System (ADS)

    Chen, Y.; Ren, G.; Tang, T.; Li, Q.; Hu, H.

    2016-03-01

    In this paper, we conduct an experimental investigation of a Pb target shocked using high explosives through the use of an improved, non-radiographic diagnostic technique called an Asay window. In the case considered, the Pb sample is melted upon release at a shock-breakout pressure of about 38 GPa. By converting the measured velocity profile of an Asay window, the mass and density distributions as a function of spatial distance in the melted Pb sample were quantitatively obtained at different offsets, corresponding with the formation of micro-spalling fragments. The physical analysis is in reasonable agreement with the result for an Sn sample recorded by proton radiography.

  18. Reaction mechanism studies of heavy ion induced nuclear reactions. Annual progress report

    SciTech Connect

    Mignerey, A.C.

    1981-07-01

    The research summarized in this report was performed during the period August 1, 1980 to June 30, 1981. The experimental emphasis in the heavy-ion-induced reaction studies continues to be discrete charge and mass resolution of all projectile-like fragments measured. In an experiment performed at the Argonne National Laboratory Superconducting LINAC, the /sup 37/Cl beam was used to bombard targets of /sup 40/Ca and /sup 209/Bi. This experiment is compared to results of our previous /sup 56/Fe-induced experiments. Attempts were made to extend the /sup 56/Fe reactions to lower energies at the Lawrence Berkeley Laboratory SuperHILAC. In a desire to improve the mass and charge resolution of previous experiments we tried a time-of-flight telescope employing both a channel-plate start and stop signal. This was backed by an ion chamber ..delta..E and silicon E detector. The operational difficulties encountered are being corrected and we hope to have a reliable system ready this fall. Studies of target fragmentation in /sup 4/He-induced reactions are continuing via experiments and model calculations. The program which began at the University of Maryland Cyclotron has been continued at the Indiana University Cyclotron with 120 and 200 MeV /sup 4/He incident on /sup 12/C and /sup 27/Al targets. While the Indiana data are currently being analyzed and no results are yet available, a summary of the Maryland work is given. Also presented in this section are the model calculations used to describe the data. 28 refs.

  19. Improved Studies of b Fragmentation in Z^0 Decays

    NASA Astrophysics Data System (ADS)

    Nesom, Gavin

    2001-04-01

    We present preliminary results of a new measurement of the inclusive b quark fragmentation function in Z^0 decays and of the B-barB energy correlation, using a novel kinematic B hadron energy reconstruction technique. The measurement is performed using hadronic Z^0 events recorded in the SLD experiment at SLAC between 1996 and 1998. The small and stable SLC beam spot and the CCD-based vertex detector are used to reconstruct B-decay vertices with high efficiency and purity, and to provide precise measurements of the kinematic quantities used in this technique. We measure the B energy with good efficiency and resolution over the full kinematic range. We compare the scaled energy distribution of weakly decaying B hadrons with the predictions of several models of b quark fragmentation, and also test several hypothesized functional forms. We exclude many of these models and functional forms, and we present a corrected distribution with a small and well defined model dependence and a precise measurement of the mean value. We also measure the two-dimensional distribution of the B and barB hadron energies in Z^0 arrow bbarb events. A comparison with theory of the moments of the 2D and 1D distributions provides a new test of QCD factorization.

  20. Studying Reaction Intermediates Formed at Graphenic Surfaces

    NASA Astrophysics Data System (ADS)

    Sarkar, Depanjan; Sen Gupta, Soujit; Narayanan, Rahul; Pradeep, Thalappil

    2014-03-01

    We report in-situ production and detection of intermediates at graphenic surfaces, especially during alcohol oxidation. Alcohol oxidation to acid occurs on graphene oxide-coated paper surface, driven by an electrical potential, in a paper spray mass spectrometry experiment. As paper spray ionization is a fast process and the time scale matches with the reaction time scale, we were able to detect the intermediate, acetal. This is the first observation of acetal formed in surface oxidation. The process is not limited to alcohols and the reaction has been extended to aldehydes, amines, phosphenes, sugars, etc., where reaction products were detected instantaneously. By combining surface reactions with ambient ionization and mass spectrometry, we show that new insights into chemical reactions become feasible. We suggest that several other chemical transformations may be studied this way. This work opens up a new pathway for different industrially and energetically important reactions using different metal catalysts and modified substrate.

  1. An improved polymerase chain reaction-restriction fragment length polymorphism assay for the detection of a PON2 gene polymorphism

    PubMed Central

    DUAN, XIAORAN; YANG, YONGLI; WANG, TUANWEI; FENG, XIAOLEI; YAO, WU; YAN, ZHEN; WANG, WEI

    2016-01-01

    In recent research, it has been shown that there have been variants of rs12026 within the paraoxonase 2 (PON2) gene, which have been associated with cardiovascular disease, cerebrovascular disease, diabetes and other diseases. The isochizomers, such as the BsoFI enzyme, required for the detection of this polymorphism are expensive. Therefore, an improved and less expensive polymerase chain reaction (PCR)-restriction fragment length polymorphism method was established for the detection of the single-nucleotide polymorphism rs12026 in the exon 5 of chromosome 7 of the human PON2 gene using the method of amplification-created restriction site. Subsequent to assessing 302 individuals, the genotype frequencies were 68.9% for CC, 29.8% for CG and 1.3% for GG, and the allelic frequencies were 83.8% for C and 16.2% for G. The PCR results were confirmed by DNA sequencing. The χ2 test showed that the genotype and allele frequencies of PON2-148 do not deviate from Hardy-Weinberg equilibrium, and the sequences of amplified products were consistent with the sequence published in GenBank with the exception of a mismatched base. PMID:27330753

  2. Fragmentation Patterns and Mechanisms of Singly and Doubly Protonated Peptoids Studied by Collision Induced Dissociation

    NASA Astrophysics Data System (ADS)

    Ren, Jianhua; Tian, Yuan; Hossain, Ekram; Connolly, Michael D.

    2016-04-01

    Peptoids are peptide-mimicking oligomers consisting of N-alkylated glycine units. The fragmentation patterns for six singly and doubly protonated model peptoids were studied via collision-induced dissociation tandem mass spectrometry. The experiments were carried out on a triple quadrupole mass spectrometer with an electrospray ionization source. Both singly and doubly protonated peptoids were found to fragment mainly at the backbone amide bonds to produce peptoid B-type N-terminal fragment ions and Y-type C-terminal fragment ions. However, the relative abundances of B- versus Y-ions were significantly different. The singly protonated peptoids fragmented by producing highly abundant Y-ions and lesser abundant B-ions. The Y-ion formation mechanism was studied through calculating the energetics of truncated peptoid fragment ions using density functional theory and by controlled experiments. The results indicated that Y-ions were likely formed by transferring a proton from the C-H bond of the N-terminal fragments to the secondary amine of the C-terminal fragments. This proton transfer is energetically favored, and is in accord with the observation of abundant Y-ions. The calculations also indicated that doubly protonated peptoids would fragment at an amide bond close to the N-terminus to yield a high abundance of low-mass B-ions and high-mass Y-ions. The results of this study provide further understanding of the mechanisms of peptoid fragmentation and, therefore, are a valuable guide for de novo sequencing of peptoid libraries synthesized via combinatorial chemistry.

  3. Fragmentation Patterns and Mechanisms of Singly and Doubly Protonated Peptoids Studied by Collision Induced Dissociation.

    PubMed

    Ren, Jianhua; Tian, Yuan; Hossain, Ekram; Connolly, Michael D

    2016-04-01

    Peptoids are peptide-mimicking oligomers consisting of N-alkylated glycine units. The fragmentation patterns for six singly and doubly protonated model peptoids were studied via collision-induced dissociation tandem mass spectrometry. The experiments were carried out on a triple quadrupole mass spectrometer with an electrospray ionization source. Both singly and doubly protonated peptoids were found to fragment mainly at the backbone amide bonds to produce peptoid B-type N-terminal fragment ions and Y-type C-terminal fragment ions. However, the relative abundances of B- versus Y-ions were significantly different. The singly protonated peptoids fragmented by producing highly abundant Y-ions and lesser abundant B-ions. The Y-ion formation mechanism was studied through calculating the energetics of truncated peptoid fragment ions using density functional theory and by controlled experiments. The results indicated that Y-ions were likely formed by transferring a proton from the C-H bond of the N-terminal fragments to the secondary amine of the C-terminal fragments. This proton transfer is energetically favored, and is in accord with the observation of abundant Y-ions. The calculations also indicated that doubly protonated peptoids would fragment at an amide bond close to the N-terminus to yield a high abundance of low-mass B-ions and high-mass Y-ions. The results of this study provide further understanding of the mechanisms of peptoid fragmentation and, therefore, are a valuable guide for de novo sequencing of peptoid libraries synthesized via combinatorial chemistry. Graphical Abstract ᅟ. PMID:26832347

  4. (Studies of heavy-ion induced reactions): Annual progress report

    SciTech Connect

    Mignerey, A.C.

    1986-10-01

    An experiment was performed at the Lawrence Berkeley Laboratory Bevalac, extending previous studies using inverse reactions to 50 MeV/u /sup 139/La incident on targets of C and Al. Studies of excitation energy division in lower energy division in lower energy heavy-ion reactions were furthered using kinematic coincidences to measure the excitation energies of primary products in the Fe + Ho reaction at 12 MeV/u. These results will provide important systematics for comparisons with previous measurements at 9 MeV/u on the same system and at 15 MeV/u on the Fe + Fe and Fe + U systems. Also studied were different aspects of 15 MeV/u Fe-induced reactions, with experiments performed at the Oak Ridge HHIRF. The first three contributions of this report constitute a major portion of the results from this research. Finally, at the Lawrence Berkeley Laboratory Bevalac a large detector array for coincident detection of fragmentation products in heavy-ion collisions below 100 MeV/u is being built. A list of publications, personnel, and activities is provided.

  5. An Experimental Model for Simultaneous Study of Migration of Cell Fragments, Single Cells, and Cell Sheets.

    PubMed

    Sun, Yao-Hui; Sun, Yuxin; Zhu, Kan; Draper, Bruce W; Zeng, Qunli; Mogilner, Alex; Zhao, Min

    2016-01-01

    Recent studies have demonstrated distinctive motility and responses to extracellular cues of cells in isolation, cells collectively in groups, and cell fragments. Here we provide a protocol for generating cell sheets, isolated cells, and cell fragments of keratocytes from zebrafish scales. The protocol starts with a comprehensive fish preparation, followed by critical steps for scale processing and subsequent cell sheet generation, single cell isolation, and cell fragment induction, which can be accomplished in just 3 days including a 36-48 h incubation time. Compared to other approaches that usually produce single cells only or together with either fragments or cell groups, this facile and reliable methodology allows generation of all three motile forms simultaneously. With the powerful genetics in zebrafish our model system offers a useful tool for comparison of the mechanisms by which cell sheets, single cells, and cell fragments respond to extracellular stimuli. PMID:27271908

  6. Fragmentation, labeling and biodistribution studies of KS1/4, a monoclonal antibody

    SciTech Connect

    Mohd, S.B.

    1987-01-01

    In this study, an IgG2a (KS1/4), a monoclonal antibody (MoAb) specific against a human lung adenocarcinoma (UCLA P-3) was successfully fragmented enzymatically to yield F(ab')/sub 2/ and Fab by using pepsin and papain, respectively. The kinetic of fragmentation of the MoAb was compared to that of human immunoglobulin G (IgG). A similar pattern of fragmentation was observed with both antibodies with a higher percentage yield of the F(ab')/sub 2/ and Fab obtained upon the fragmentation of the IgG by the enzymes. The KS1/4 and the two fragments were labeled with three different radionuclides, namely iodine-131, indium-111 and selenium-75. The radioiodination of the MoAb and the fragments was carried out by using a modified chloramine-T method. Radiometal labeling of the MoAb and the fragments with indium-111 was performed by using DTPA as a bifunctional chelating agent, while intrinsic labeling of the MoAb was done by culturing the hybridoma in the presence of /sup 75/Se-methionine. The biodistribution of the radiolabeled MoAb, F(ab')/sub 2/ and Fab fragments were performed by injecting the preparations intravenously into nude mice bearing human lung adenocarcinoma.

  7. Production of Secondary Radioactive Beams of He and Li Neutron-Rich Isotopes in the Fragmentation Reaction {sup 15}N(47 MeV/A)+{sup 9}Be

    SciTech Connect

    Milewska, Aleksandra

    2007-11-26

    Yields of neutron-rich isotopes of He and Li produced in the reaction {sup 15}N(47 MeV/A)+{sup 9}Be have been measured. The experiment was carried out at the fragment separator COMBAS of the Flerov Laboratory of Nuclear Reactions, JINR (Dubna). Ion beams accelerated with the U-400M cyclotron and thick target were used. The products were identified according to their magnetic rigidities and time of flight (TOF) via the separator. The path length of TOF was 7,5 m. As a result of fragmentation, beams of four isotopes of Lithium and two isotopes of Helium were obtained. The inclusive velocities of reaction products were obtained and isotopes yields were calculated.

  8. Experimental determination of particle range and dose distribution in thick targets through fragmentation reactions of stable heavy ions

    NASA Astrophysics Data System (ADS)

    Inaniwa, Taku; Kohno, Toshiyuki; Tomitani, Takehiro; Urakabe, Eriko; Sato, Shinji; Kanazawa, Mitsutaka; Kanai, Tatsuaki

    2006-09-01

    In radiation therapy with highly energetic heavy ions, the conformal irradiation of a tumour can be achieved by using their advantageous features such as the good dose localization and the high relative biological effectiveness around their mean range. For effective utilization of such properties, it is necessary to evaluate the range of incident ions and the deposited dose distribution in a patient's body. Several methods have been proposed to derive such physical quantities; one of them uses positron emitters generated through projectile fragmentation reactions of incident ions with target nuclei. We have proposed the application of the maximum likelihood estimation (MLE) method to a detected annihilation gamma-ray distribution for determination of the range of incident ions in a target and we have demonstrated the effectiveness of the method with computer simulations. In this paper, a water, a polyethylene and a polymethyl methacrylate target were each irradiated with stable 12C, 14N, 16O and 20Ne beams. Except for a few combinations of incident beams and targets, the MLE method could determine the range of incident ions RMLE with a difference between RMLE and the experimental range of less than 2.0 mm under the circumstance that the measurement of annihilation gamma rays was started just after the irradiation of 61.4 s and lasted for 500 s. In the process of evaluating the range of incident ions with the MLE method, we must calculate many physical quantities such as the fluence and the energy of both primary ions and fragments as a function of depth in a target. Consequently, by using them we can obtain the dose distribution. Thus, when the mean range of incident ions is determined with the MLE method, the annihilation gamma-ray distribution and the deposited dose distribution can be derived simultaneously. The derived dose distributions in water for the mono-energetic heavy-ion beams of four species were compared with those measured with an ionization chamber

  9. A preliminary trial using multi-target polymerase chain reaction (multiplex PCR) and restriction fragment length polymorphism (PCR-RFLP) on the same feedstuffs to detect tissues of animal origin.

    PubMed

    Colombo, F; Marchisio, E; Trezzi, I E; Peri, V; Pinotti, L; Baldi, A; Soncini, G

    2004-08-01

    A preliminary study using multi-target polymerase chain reaction (multiplex PCR) and restriction fragment length polymorphism (PCR-RFLP) was done on the same feedstuffs to detect animal tissues. The results of the two methods differ somewhat: PCR-RFLP did not detect any signal in any sample, but multiplex PCR detected a signal in one sample. These findings could be a basis for further investigations. PMID:15509020

  10. An Isoratio Method to Study Free Energy and Temperature Effects in Intermediate Mass Fragments Produced in Heavy-Ion Collisions

    NASA Astrophysics Data System (ADS)

    Ma, Chun-Wang; Qiao, Chun-Yuan; Ding, Tian-Tian; Niu, Fei; Song, Yi-Dan; Niu, Yi-Fei

    2016-07-01

    An isoratio method, i.e., the isotopic (isotonic) ratio among three isotopes (isotones), is proposed to study the free energy and temperature effects in the intermediate mass fragments produced in heavy-ion collisions. The parameterizations for the free energy of nucleus at low temperature, which have been proposed in the framework of the density functional theory using the SKM skymre interaction, are adopted to calculate the temperature-dependent free energy of fragment. By analyzing the measured yields of fragments in the 140A MeV 58,64Ni + 9Be reactions, it is verified that the free energy in the isoratio is almost the same for different reactions. A temperature-dependent pairing-energy is introduced into the parameterizations for free energy, which reveals that the weakened pairing energy at the low temperature accounts for the weakened or disappearing odd-even staggering in isoratio. Supported by the Program for Science and Technology Innovation Talents in Universities of Henan Province under Grant No. 13HASTIT046, the Creative Experimental Project of National Undergraduate Students (CEPNU201510476017)

  11. Genetic polymorphism of toll-like receptors 4 gene by polymerase chain reaction-restriction fragment length polymorphisms, polymerase chain reaction-single-strand conformational polymorphism to correlate with mastitic cows

    PubMed Central

    Gupta, Pooja H.; Patel, Nirmal A.; Rank, D. N.; Joshi, C. G.

    2015-01-01

    Aim: An attempt has been made to study the toll-like receptors 4 (TLR4) gene polymorphism from cattle DNA to correlate with mastitis cows. Materials and Methods: In present investigation, two fragments of TLR4 gene named T4CRBR1 and T4CRBR2 of a 316 bp and 382 bp were amplified by polymerase chain reaction (PCR), respectively from Kankrej (22) and Triple cross (24) cattle. The genetic polymorphisms in the two populations were detected by a single-strand conformational polymorphism in the first locus and by digesting the fragments with restriction endonuclease Alu I in the second one. Results: Results showed that both alleles (A and B) of two loci were found in all the two populations and the value of polymorphism information content indicated that these were highly polymorphic. Statistical results of χ2 test indicated that two polymorphism sites in the two populations fit with Hardy–Weinberg equilibrium (p<0.05). Meanwhile, the effect of polymorphism of TLR4 gene on the somatic cell score (SCS) indicated the cattle with allele a in T4CRBR1 showed lower SCS than that of allele B (p<0.05). Thus, the allele A might play an important role in mastitis resistance in cows. Conclusion: The relationship between the bovine mastitis trait and the polymorphism of TLR4 gene indicated that the bovine TLR4 gene may play an important role in mastitis resistance. PMID:27047144

  12. Fungal fragments in moldy houses: A field study in homes in New Orleans and Southern Ohio

    NASA Astrophysics Data System (ADS)

    Reponen, Tiina; Seo, Sung-Chul; Grimsley, Faye; Lee, Taekhee; Crawford, Carlos; Grinshpun, Sergey A.

    Smaller-sized fungal fragments (<1 μm) may contribute to mold-related health effects. Previous laboratory-based studies have shown that the number concentration of fungal fragments can be up to 500 times higher than that of fungal spores, but this has not yet been confirmed in a field study due to lack of suitable methodology. We have recently developed a field-compatible method for the sampling and analysis of airborne fungal fragments. The new methodology was utilized for characterizing fungal fragment exposures in mold-contaminated homes selected in New Orleans, Louisiana and Southern Ohio. Airborne fungal particles were separated into three distinct size fractions: (i) >2.25 μm (spores), (ii) 1.05-2.25 μm (mixture), and (iii) <1.0 μm (submicrometer-sized fragments). Samples were collected in five homes in summer and winter and analyzed for (1→3)- β- D-glucan. The total (1→3)- β- D-glucan varied from 0.2 to 16.0 ng m -3. The ratio of (1→3)- β- D-glucan mass in fragment size fraction to that in spore size fraction ( F/ S) varied from 0.011 to 2.163. The mass ratio was higher in winter (average=1.017) than in summer (0.227) coinciding with a lower relative humidity in the winter. Assuming a mass-based F/ S-ratio=1 and the spore size=3 μm, the corresponding number-based F/ S-ratio (fragment number/spore number) would be 10 3 and 10 6, for the fragment sizes of 0.3 and 0.03 μm, respectively. These results indicate that the actual (field) contribution of fungal fragments to the overall exposure may be very high, even much greater than that estimated in our earlier laboratory-based studies.

  13. Characterization of fragment emission in {sup 20}Ne(7-10 MeV/nucleon)+{sup 12}C reactions

    SciTech Connect

    Dey, Aparajita; Bhattacharya, C.; Bhattacharya, S.; Kundu, S.; Banerjee, K.; Mukhopadhyay, S.; Gupta, D.; Bhattacharjee, T.; Banerjee, S. R.; Bhattacharyya, S.; Rana, T. K.; Basu, S. K.; Saha, R.; Krishan, K.; Mukherjee, A.; Bandopadhyay, D.; Beck, C.

    2007-09-15

    The inclusive energy distributions of the complex fragments (3{<=}Z{<=}7) emitted from the bombardment of {sup 12}C by {sup 20}Ne beams with incident energies between 145 and 200 MeV have been measured in the angular range 10 deg.{<=}{theta}{sub lab}{<=}50 deg. Damped fragment yields in all the cases have been found to have the characteristic of emission from fully energy equilibrated composites. The binary fragment yields are compared with the standard statistical model predictions. Whereas Li and Be fragments yields are in agreement with statistical-model calculations, enhanced yields of entrance channel fragments (5{<=}Z{<=}7) indicate the survival of orbiting-like process in {sup 20}Ne+{sup 12}C system at these energies.

  14. Total Syntheses, Fragmentation Studies, and Antitumor/Antiproliferative Activities of FR901464 and Its Low Picomolar Analog

    PubMed Central

    Albert, Brian J.; Sivaramakrishnan, Ananthapadmanabhan; Naka, Tadaatsu; Czaicki, Nancy L.

    2008-01-01

    FR901464 is a potent anticancer natural product that lowers the mRNA levels of oncogenes and tumor suppressor genes. In this article, we report a convergent enantioselective synthesis of FR901464, which was accomplished in 13 linear steps. Central to the synthetic approach was the diene-ene cross olefin metathesis reaction to generate the C6-C7 olefin without the use of protecting groups as the final step. Additional key reactions include a Zr/Ag-promoted alkynylation to set the C4 stereocenter, a mild and chemoselective Red-Al reduction, a reagent-controlled stereoselective Mislow-Evans-type [2,3]-sigmatropic rearrangement to install the C5 stereocenter, a Carreira asymmetric alkynylation to generate the C4′ stereocenter, and a highly efficient ring-closing metathesis-allylic oxidation sequence to form an unsaturated lactone. The decomposition pathways of FR901464's right fragment were studied under physiologically relevant conditions. Facile epoxide opening by β-elimination gave two enones, one of which could undergo dehydration via its hemiketal to form a furan. To prevent this decomposition pathway, a right fragment was then rationally designed and synthesized. This analog was 12 times more stable than the right fragment of the natural product. Using this more stable right fragment analog, an FR901464 analog, meayamycin, was then prepared in 13 linear steps. The inhibitions of human breast cancer MCF-7 cell proliferation by synthetic FR901464 and meayamycin were studied, and the GI50 values for these compounds were determined to be 1.1 nM and 10 pM, respectively. Thus, meayamycin is among the most potent anticancer small molecules that do not bind to either DNA or microtubule. PMID:17279752

  15. Screw placement relative to the calcaneal fracture constant fragment: an anatomic study.

    PubMed

    Bussewitz, Bradly W; Hyer, Christopher F

    2015-01-01

    Placement of a screw from the lateral wall of the calcaneus into the constant sustentaculum tali fragment can be difficult when surgically repairing a calcaneal fracture. This screw serves to compress the fracture fragments and support the posterior facet. This difficulty results from the small landing zone of the sustentaculum tali with its nearby vulnerable soft tissue structures. We present an anatomic study of 10 cadavers to determine a starting point and angle of screw advancement when placing a constant fragment screw. PMID:25441853

  16. Vesiculation and fragmentation in silicic magmas: insights from case studies in the Kermadec Arc, SW Pacific

    NASA Astrophysics Data System (ADS)

    Rotella, M. D.; Wilson, C. J.; Barker, S. J.; Cashman, K.; Houghton, B. F.; Wright, I. C.; Wysoczanski, R. J.

    2012-12-01

    There is debate over the processes involved in the vesiculation and fragmentation of silicic magmas. One aspect is to what extent do the densities and vesicularity characteristics of pyroclasts accurately reflect the point of fragmentation, or whether they have undergone post-fragmentation modification. Here we present pyroclast densities and vesicle size and number characteristics from a suite of representative clasts from six silicic eruptions of contrasting size and style from Raoul volcano in the Kermadec arc. Density/vesicularity distributions show a dearth in pyroclasts with ~70-75% vesicularity. However, pyroclasts closest to ~70-75% vesicularity have the highest bubble number density (BND) values for all eruptions regardless of intensity, style or degree of interaction with external water. Bubble size distributions (BSDs) and BNDs, corrected for clast vesicularity and crystal content show variations consistent with this vesicularity range representing a critical transition at which vesiculating magma is most likely to undergo fragmentation. Clasts with vesicularity >70-75% have decreasing BNDs, interpreted to reflect bubble coalescence and expansion after magmatic fragmentation, but prior to quenching. Clasts with vesicularities <70-75% also have decreasing BNDs but in our examples preserve textures indicative of pre-fragmentation processes such as stalling and volatile loss prior to vesiculation in a microlite-rich magma, or vesiculation during slow ascent of degassing magma. The results of this study, therefore, show that modal density clasts (the usual targets for vesicularity studies) have likely undergone some degree of post-fragmentation vesiculation and therefore may not be accurately representative of the magma at the moment of fragmentation. We show that analyses of multiple samples covering the full range of vesicularities being erupted at any one stage in the eruption is required to bracket the vesicle characteristics at the point of

  17. An (e, 2e + ion) study of low-energy electron-impact ionization and fragmentation of tetrahydrofuran with high mass and energy resolutions

    SciTech Connect

    Ren, Xueguang Pflüger, Thomas; Weyland, Marvin; Baek, Woon Yoon; Rabus, Hans; Ullrich, Joachim; Dorn, Alexander

    2014-10-07

    We study the low-energy (E{sub 0} = 26 eV) electron-impact induced ionization and fragmentation of tetrahydrofuran using a reaction microscope. All three final-state charged particles, i.e., two outgoing electrons and one fragment ion, are detected in triple coincidence such that the momentum vectors and, consequently, the kinetic energies for charged reaction products are determined. The ionic fragments are clearly identified in the experiment with a mass resolution of 1 amu. The fragmentation pathways of tetrahydrofuran are investigated by measuring the ion kinetic energy spectra and the binding energy spectra where an energy resolution of 1.5 eV has been achieved using the recently developed photoemission electron source. Here, we will discuss the fragmentation reactions for the cations C{sub 4}H{sub 8}O{sup +}, C{sub 4}H{sub 7}O{sup +}, C{sub 2}H{sub 3}O{sup +}, C{sub 3}H{sub 6}{sup +}, C{sub 3}H{sub 5}{sup +}, C{sub 3}H{sub 3}{sup +}, CH{sub 3}O{sup +}, CHO{sup +}, and C{sub 2}H{sub 3}{sup +}.

  18. An (e, 2e + ion) study of low-energy electron-impact ionization and fragmentation of tetrahydrofuran with high mass and energy resolutions.

    PubMed

    Ren, Xueguang; Pflüger, Thomas; Weyland, Marvin; Baek, Woon Yoon; Rabus, Hans; Ullrich, Joachim; Dorn, Alexander

    2014-10-01

    We study the low-energy (E0 = 26 eV) electron-impact induced ionization and fragmentation of tetrahydrofuran using a reaction microscope. All three final-state charged particles, i.e., two outgoing electrons and one fragment ion, are detected in triple coincidence such that the momentum vectors and, consequently, the kinetic energies for charged reaction products are determined. The ionic fragments are clearly identified in the experiment with a mass resolution of 1 amu. The fragmentation pathways of tetrahydrofuran are investigated by measuring the ion kinetic energy spectra and the binding energy spectra where an energy resolution of 1.5 eV has been achieved using the recently developed photoemission electron source. Here, we will discuss the fragmentation reactions for the cations C4H8O(+), C4H7O(+), C2H3O(+), C3H6(+), C3H5(+), C3H3(+), CH3O(+), CHO(+), and C2H3(+). PMID:25296813

  19. Alpha resonant scattering for astrophysical reaction studies

    NASA Astrophysics Data System (ADS)

    Yamaguchi, H.; Kahl, D.; Nakao, T.; Wakabayashi, Y.; Kubano, S.; Hashimoto, T.; Hayakawa, S.; Kawabata, T.; Iwasa, N.; Teranishi, T.; Kwon, Y. K.; Binh, D. N.; Khiem, L. H.; Duy, N. G.

    2014-05-01

    Several alpha-induced astrophysical reactions have been studied at CRIB (CNS Radioactive Ion Beam separator), which is a low-energy RI beam separator at Center for Nuclear Study (CNS) of the University of Tokyo. One of the methods to study them is the α resonant scattering using the thick-target method in inverse kinematics. Among the recent studies at CRIB, the measurement of 7Be+α resonant scattering is discussed. Based on the result of the experiment, we evaluated the contributions of high-lying resonances for the 7Be(α,γ) reaction, and proposed a new cluster band in 11C.

  20. Alpha resonant scattering for astrophysical reaction studies

    SciTech Connect

    Yamaguchi, H.; Kahl, D.; Nakao, T.; Wakabayashi, Y.; Kubano, S.; Hashimoto, T.; Hayakawa, S.; Kawabata, T.; Iwasa, N.; Teranishi, T.; Kwon, Y. K.; Binh, D. N.; Khiem, L. H.; Duy, N. G.

    2014-05-02

    Several alpha-induced astrophysical reactions have been studied at CRIB (CNS Radioactive Ion Beam separator), which is a low-energy RI beam separator at Center for Nuclear Study (CNS) of the University of Tokyo. One of the methods to study them is the α resonant scattering using the thick-target method in inverse kinematics. Among the recent studies at CRIB, the measurement of {sup 7}Be+α resonant scattering is discussed. Based on the result of the experiment, we evaluated the contributions of high-lying resonances for the {sup 7}Be(α,γ) reaction, and proposed a new cluster band in {sup 11}C.

  1. Giardia duodenalis in Damascus, Syria: Identification of Giardia genotypes in a sample of human fecal isolates using polymerase chain reaction and restriction fragment length polymorphism analyzing method.

    PubMed

    Skhal, Dania; Aboualchamat, Ghalia; Al Nahhas, Samar

    2016-02-01

    Giardia duodenalis is a common gastrointestinal parasite that infects humans and many other mammals. It is most prevalent in many developing and industrialized countries. G. duodenalis is considered to be a complex species. While no morphological distinction among different assemblages exist, it can be genetically differentiated into eight major assemblages: A to H. The aim of this study was to determine the genetic heterogeneity of G. duodenalis in human isolates (a study conducted for the first time in Syria). 40 fecal samples were collected from three different hospitals during the hot summer season of 2014. Extraction of genomic DNA from all Giardia positive samples (based on a microscopic examination) was performed using QIAamp DNA Stool Mini Kit. β-giardin gene was used to differentiate between different Giardia assemblages. The 514 bp fragment was amplified using the Polymerase Chain Reaction method, followed by digestion in HaeIII restriction enzyme. Our result showed that genotype A was more frequent than genotype B, 27/40 (67.5%); 4/40 (10%) respectively. A mixed genotype of A+B was only detected in 9 isolates (22.5%). This is the first molecular study performed on G. duodenalis isolates in Syria in order to discriminate among the different genotypes. Further expanded studies using more genes are needed to detect and identify the Giardia parasite at the level of assemblage and sub-assemblage. PMID:26524628

  2. Analysis of the rDNA internal transcribed spacer region of the Fusarium species by polymerase chain reaction-restriction fragment length polymorphism

    PubMed Central

    ZARRIN, MAJID; GANJ, FARZANEH; FARAMARZI, SAMA

    2016-01-01

    The Fusarium species are a widely spread phytopathogen identified in an extensive variety of hosts. The Fusarium genus is one of the most heterogeneous fungi and is difficult to classify. Polymerase chain reaction-restriction fragment length polymorphism (PCR-RFLP) analysis is a useful method in detection of DNA polymorphism in objective sequences. The aim of the present study was to identify the phylogenetic associations and usefulness of the internal transcribed spacer (ITS) region as a genetic marker within the most clinically important strain of the Fusarium species. A total of 50 strains of Fusarium spp. were used in the study, including environmental, clinical and reference isolates. The primers ITS1 and ITS4 were used in the study. Two restriction enzymes, HaeIII and SmaI, were assessed for the digestion of PCR products. A PCR product of ~550-base pairs was generated for each Fusarium species. The digested products with HaeIII and SmaI demonstrated that the bands generated for the medically significant Fusarium species, including F. solani, F. oxysporum, F. verticillidea, F. proliferatum and F. fujikuri, have different restriction enzyme patterns. In conclusion, it appears that the PCR-RFLP method used in the present study produces a sufficient restriction profile for differentiation of the most medically significant Fusarium species. PMID:27073635

  3. Risk to fragmented DNA in dry, wet, and frozen states from computed tomography: a comparative theoretical study.

    PubMed

    Wanek, Johann; Rühli, Frank Jakobus

    2016-05-01

    Computed tomography represents the gold standard in forensic and palaeopathological diagnosis. However, the X-rays used may affect the DNA quality through fragmentation and loss of genetic information. Previous work showed that the effects of ionizing radiation on dry DNA are non-significant with P < 10(-8), which cannot be detected by means of polymerase chain reaction methods. In the present paper, complete analytical model that characterizes radiation effects on fragmented DNA in dry, wet, and frozen states is described. Simulation of radiation tracks in water phantom cells was performed using the Geant4-DNA toolkit. Cell hits by electrons with energies between 5 and 20 keV were simulated, and the formation of radiolytic products was assessed at a temperature of 298 K. The diffusion coefficient and the mean square displacement of reactive species were calculated by Stokes-Einstein-Smoluchowski relations at 273 K. Finally, DNA fragment damage was estimated using the density distribution of fragments calculated from atomic force microscopy images. The lowest probability of radiation-induced DNA damage was observed for dry state, with a range from 2.5 × 10(-9) to 7.8 × 10(-12) at 298 K, followed by that for frozen state, with a range from 0.9 to 4 × 10(-7) at 273 K. The highest probability of radiation-induced DNA damage was demonstrated for fragmented DNA in wet state with a range from 2 to 9 × 10(-7) at 298 K. These results significantly improve the interpretation of CT imaging in future studies in forensic and palaeopathological science. PMID:26883247

  4. Computational Study on Chemical Reaction Mechanisms of Octafluorocarbon Molecules

    NASA Astrophysics Data System (ADS)

    Choi, Heechol; Song, Mi-Young; Yoon, Jung-Sik; Plasma Fundamental Technology Research Team

    2015-09-01

    Saturated or unsaturated octafluorocarbons(OFCs) have been used extensively in dry etching processes due to their relatively low global warming potential and their high CF2 radical levels in commercial plasma treatments. Many experimental and theoretical studies of these species have been performed for useful information about physical and chemical properties of OFCs. However, direct experimental studies of these chemicals are difficult because of their high reactivity in plasma state and high-level theoretical approaches such as G3(MP2) and CCSD(T)/CBS need huge computational cost. Recently, it has been shown that the ωB97X-D/aVTZ method is strongly recommended as the best practical density functional theory(DFT) for rigorous and extensive studies of OFCs because of its high performance and reliability for van der Waals interactions. All the feasible isomerization and dissociation paths of OFCs were investigated at ωB97X-D/aVTZ and rate constants of their chemical reactions were computed by using variational transition-state theory(VTST) for a deep insight into OFCs' reaction mechanisms. Fates and roles of OFCs and their fragments in plasma phases could be clearly explained based on the obtained reaction mechanisms. This work was supported by R&D Program of ``Plasma Convergence & Fundamental Research'' through NFRI of Korea funded by the Government funds.

  5. Production of new neutron-rich isotopes of heavy elements in fragmentation reactions of {sup 238}U projectiles at 1A GeV

    SciTech Connect

    Alvarez-Pol, H.; Benlliure, J.; Casarejos, E.; Cortina-Gil, D.; Fernandez-Dominguez, B.; Pereira, J.; Audouin, L.; Enqvist, T.; Schmidt, K.-H.; Yordanov, O.; Junghans, A. R.; Jurado, B.; Rejmund, F.

    2010-10-15

    The production of heavy neutron-rich nuclei has been investigated using cold-fragmentation reactions of {sup 238}U projectiles at relativistic energies. The experiment performed at the high-resolving-power magnetic spectrometer Fragment Separator at GSI made it possible to identify 40 new heavy neutron-rich nuclei: {sup 205}Pt, {sup 207-210}Au, {sup 211-216}Hg, {sup 214-217}Tl, {sup 215-220}Pb, {sup 219-224}Bi, {sup 223-227}Po, {sup 225-229}At, {sup 230,231}Rn, and {sup 233}Fr. The production cross sections of these nuclei were also determined and used to benchmark reaction codes that predict the production of nuclei far from stability.

  6. (Reaction mechanism studies of heavy ion induced nuclear reactions)

    SciTech Connect

    Mignerey, A.C.

    1991-01-01

    This report discusses the following research projects; decay of excited nuclei formed in La-induced reactions at E/A = 45 MeV; mass and charge distributions in Cl-induced heavy ion reactions; and mass and charge distributions in {sup 56}Fe + {sup 165}Ho at E/A = 12 MeV.

  7. Theoretical studies of chemical reaction dynamics

    SciTech Connect

    Schatz, G.C.

    1993-12-01

    This collaborative program with the Theoretical Chemistry Group at Argonne involves theoretical studies of gas phase chemical reactions and related energy transfer and photodissociation processes. Many of the reactions studied are of direct relevance to combustion; others are selected they provide important examples of special dynamical processes, or are of relevance to experimental measurements. Both classical trajectory and quantum reactive scattering methods are used for these studies, and the types of information determined range from thermal rate constants to state to state differential cross sections.

  8. Identification of Echinococcus granulosus strains using polymerase chain reaction-restriction fragment length polymorphism amongst livestock in Moroto district, Uganda.

    PubMed

    Chamai, Martin; Omadang, Leonard; Erume, Joseph; Ocaido, Michael; Oba, Peter; Othieno, Emmanuel; Bonaventure, Straton; Kitibwa, Annah

    2016-01-01

    A descriptive study was conducted to identify the different strains of Echinococcus granulosus occurring in livestock in Moroto district, Uganda. Echinococcus cysts from 104 domestic animals, including cattle, sheep, goats and camels, were taken and examined by microscopy, polymerase chain reaction with restriction fragment length polymorphism and Sanger DNA sequencing. Echinococcus granulosus genotypes or strains were identified through use of Bioinformatics tools: BioEdit, BLAST and MEGA6. The major finding of this study was the existence of a limited number of E. granulosus genotypes from cattle, goats, sheep and camels. The most predominant genotype was G1 (96.05%), corresponding to the common sheep strain. To a limited extent (3.95%), the study revealed the existence of Echinococcus canadensis G6/7 in three (n = 3) of the E. granulosus-positive samples. No other strains of E. granulosus were identified. It was concluded that the common sheep strain of Echinococcus sensu stricto and G6/7 of E. canadensis were responsible for echinococcal disease in Moroto district, Uganda. PMID:27543147

  9. Angular correlations between heavy and light fragments in the reaction sup 32 S+ sup 26 Mg at E sub lab =163. 5 MeV

    SciTech Connect

    Cavallaro, S. ); Prete, G. ); Viesti, G. )

    1990-04-01

    Angular correlation measurements between heavy residues ({ital Z}{sub {ital R}}=23--13) and light fragments ({ital Z}{sub {ital L}}=2--10) have been performed for the reaction {sup 32}S+{sup 26}Mg at {ital E}{sub lab}=163.5 MeV. The binary nature of the mechanisms competing with fusion-evaporation is evidenced. Linear momentum analysis and velocity plots indicate contributions of binary reactions also for those elements that are generally believed to be produced by fusion-evaporation mechanisms.

  10. Chemical reaction and dust formation studies in laboratory hydrocarbon plasmas.

    NASA Astrophysics Data System (ADS)

    Hippler, Rainer; Majumdar, Abhijit; Thejaswini, H. C.

    Plasma chemical reaction studies with relevance to, e.g., Titan's atmosphere have been per-formed in various laboratory plasmas [1,2]. Chemical reactions in a dielectric barrier discharge at medium pressure of 250-300 mbar have been studied in CH4 /N2 and CH4 /Ar gas mixtures by means of mass spectrometry. The main reaction scheme is production of H2 by fragmenta-tion of CH4 , but also production of larger hydrocarbons like Cn Hm with n up to 10 including formation of different functional CN groups is observed. [1] A. Majumdar and R. Hippler, Development of dielectric barrier discharge plasma processing apparatus for mass spectrometry and thin film deposition, Rev. Sci. Instrum. 78, 075103 (2007) [2] H.T. Do, G. Thieme, M. Frühlich, H. Kersten, and R. Hippler, Ion Molecule and Dust Particle Formation in Ar/CH4 , Ar/C2 H2 and Ar/C3 H6 Radio-frequency Plasmas, Contrib. Plasma Phys. 45, No. 5-6, 378-384 (2005)

  11. Studying photonuclear reactions using the activation technique

    NASA Astrophysics Data System (ADS)

    Belyshev, S. S.; Ermakov, A. N.; Ishkhanov, B. S.; Khankin, V. V.; Kurilik, A. S.; Kuznetsov, A. A.; Shvedunov, V. I.; Stopani, K. A.

    2014-05-01

    The experimental setup that is used at the Skobeltsyn Institute of Nuclear Physics of the Moscow State University to study photonuclear reactions using the activation technique is described. The system is based on two modern compact race track microtrons with maximum energy of electrons of up to 55 and 67.7 MeV. A low-background HPGe detector is used to measure the induced gamma activity. The data acquisition and analysis system, used to process the measured spectra, is described. The described system is used to study multiparticle photonuclear reactions and production of nuclei far from the beta stability region.

  12. Neutrino-nucleus reactions based on recent structure studies

    SciTech Connect

    Suzuki, Toshio

    2015-05-15

    Neutrino-nucleus reactions are studied with the use of new shell model Hamiltonians, which have proper tensor components in the interactions and prove to be successful in the description of Gamow-Teller (GT) strengths in nuclei. The new Hamiltonians are applied to obtain new neutrino-nucleus reaction cross sections in {sup 12}C, {sup 13}C, {sup 56}Fe and {sup 56}Ni induced by solar and supernova neutrinos. The element synthesis by neutrino processes in supernova explosions is discussed with the new cross sections. The enhancement of the production yields of {sup 7}Li, {sup 11}B and {sup 55}Mn is obtained while fragmented GT strength in {sup 56}Ni with two-peak structure is found to result in smaller e-capture rates at stellar environments. The monopole-based universal interaction with tensor force of π+ρ meson exchanges is used to evaluate GT strength in {sup 40}Ar and ν-induced reactions on {sup 40}Ar. It is found to reproduce well the experimental GT strength in {sup 40}Ar.

  13. Studies on cryoprotectant toxicity to zebrafish (Danio rerio) ovarian tissue fragments.

    PubMed

    Anil, S; Ghafari, F; Zampolla, T; Rawson, D M; Zhang, T

    2011-01-01

    Cryopreservation of ovarian tissue is a viable alternative to cryopreservation of oocytes and embryos in many species but it has not been studied in fish. Selection of cryoprotectant is an important step in designing cryopreservation protocols. In order to identify the optimum cryoprotectant (CPA) in a suitable concentration for zebrafish ovarian tissue cryopreservation, studies on toxicities of five commonly used cryoprotectants methanol, ethanol, dimethyl sulfoxide (DMSO), ethylene glycol (EG) and propylene glycol (PG) were carried out. Experiments were conducted on ovarian tissue fragments consisting of stage I and stage II ovarian follicles. Ovarian tissue fragments were incubated in 90% L-15 medium (pH 9) containing 1-4M cryoprotectants for 30min at 22°C. Three different tests were used to assess ovarian tissue fragment viability: trypan blue (TB) staining, fluorescein diacetate (FDA) combined with propidium iodide (PI) staining and adenosine 5´- triphosphate (ATP) assay. Results from these tests showed that ATP assay was more sensitive than FDA+PI or TB staining for assessing cryoprotectant toxicity to follicles in tissue fragments. Methanol and ethanol were the least toxic cryoprotectants tested. Cryoprotectant toxicity increased in the order of methanol/ethanol, DMSO, PG and EG. Ethanol was used for zebrafish ovarian tissue for the first time and the results showed that the effect of methanol and ethanol on ovarian tissue fragments were comparable. As methanol has been shown to be the most effective cryoprotectant for zebrafish ovarian follicles in our laboratory, the use of ethanol will also be considered in assisting future freezing protocol design. The present study also showed that stage II ovarian follicles are more sensitive to cryoprotectant treatment than stage I follicles in tissue fragments. The results obtained in this study provided useful information for ovarian tissue fragment cryopreservation protocol design in the future. PMID:21468452

  14. Photocross-Linked Peptide-Protein Complexes Analysis: A Comparative Study of CID and ETD Fragmentation Modes

    NASA Astrophysics Data System (ADS)

    Clavier, Séverine; Bolbach, Gérard; Sachon, Emmanuelle

    2015-06-01

    Protein-protein interactions are among the keys to organizing cellular processes in space and time. One of the only direct ways to identify such interactions in their cellular environment is to covalently bond the interacting partners to fix the interaction. Photocross-linking in living cells is thus a very promising technique. The feasibility of in cellulo photocross-linking reactions has been shown and mass spectrometry is a tool of choice to analyze photocross-linked proteins. However, the interpretation of the MS and MS/MS spectra of photocross-linked peptides remains one of the most important bottlenecks of the method and still limits its potential for large-scale applications (interactomics). Fundamental studies are still necessary to understand and characterize the fragmentation behavior of photocross-linked peptides. Here, we report the successful identification of the interaction sites in a well-characterized model of in vitro interaction between a protein and a peptide. We describe in detail the fragmentation pattern of these photocross-linked species in order to identify trends that could be generalized. In particular, we compare CID and ETD fragmentation modes (and HCD in a lesser extent), demonstrating the complementarity of both methods and the advantage of ETD for the analysis of photocross-linked species. The information should help further development of dedicated software to properly score MS/MS spectra of photocross-linked species.

  15. Development of Fok-I based nested polymerase chain reaction-restriction fragment length polymorphism analysis for detection of hepatitis B virus X region V5M mutation

    PubMed Central

    Kim, Hong; Hong, Seok-Hyun; Lee, Seoung-Ae; Gong, Jeong-Ryeol; Kim, Bum-Joon

    2015-01-01

    AIM: To develop a Fok-I nested polymerase chain reaction (PCR)-restriction fragment length polymorphism analysis (PRA) method for the detection of hepatitis B virus X region (HBx) V5M mutation. METHODS: Nested PCR was applied into DNAs from 198 chronic patients at 2 different stages [121 patients with hepatocellular carcinoma (HCC) and 77 carrier patients]. To identify V5M mutants, digestion of nested PCR amplicons by the restriction enzyme Fok-I (GGA TGN9↓) was done. For size comparison, the enzyme-treated products were analyzed by electrophoresis on 2.5% agarose gels, stained with ethidium bromide, and visualized on a UV transilluminator. RESULTS: The assay enabled the identification of 69 patients (sensitivity of 34.8%; 46 HCC patients and 23 carrier patients). Our data also showed that V5M prevalence in HCC patients was significantly higher than in carrier patients (47.8%, 22/46 patients vs 0%, 0/23 patients, P < 0.001), suggesting that HBxAg V5M mutation may play a pivotal role in HCC generation in chronic patients with genotype C infections. CONCLUSION: The Fok-I nested PRA developed in this study is a reliable and cost-effective method to detect HBxAg V5M mutation in chronic patients with genotype C2 infection. PMID:26715821

  16. Vibration from freight trains fragments sleep: A polysomnographic study.

    PubMed

    Smith, Michael G; Croy, Ilona; Hammar, Oscar; Persson Waye, Kerstin

    2016-01-01

    As the number of freight trains on railway networks increases, so does the potential for vibration exposure in dwellings nearby to freight railway lines. Nocturnal trains in particular are of particular importance since night-time exposure may interfere with sleep. The present work investigates the impact of vibration and noise from night-time freight trains on human sleep. In an experimental polysomnographic laboratory study, 24 young healthy volunteers with normal hearing were exposed to simulated freight pass-bys with vibration amplitudes of 0.7 and 1.4 mm/s either 20 or 36 times during the night. Stronger vibrations were associated with higher probabilities of event-related arousals and awakenings (p < 0.001), and sleep stage changes (p < 0.05). Sleep macrostructure was most affected in high vibration nights with 36 events, with increased wakefulness (p < 0.05), reduced continual slow wave sleep (p < 0.05), earlier awakenings (p < 0.05) and an overall increase in sleep stage changes (p < 0.05). Subjects reported sleep disturbance due to vibration (F(4,92) = 25.9, p < 0.001) and noise (F(4,92) = 25.9, p < 0.001), with the number of trains having an effect only for the 0.7 mm/s condition (p < 0.05). The findings show that combined vibration and noise from railway freight affects the natural rhythm of sleep, but extrapolation of significance for health outcomes should be approached with caution. PMID:27090401

  17. Vibration from freight trains fragments sleep: A polysomnographic study

    PubMed Central

    Smith, Michael G.; Croy, Ilona; Hammar, Oscar; Persson Waye, Kerstin

    2016-01-01

    As the number of freight trains on railway networks increases, so does the potential for vibration exposure in dwellings nearby to freight railway lines. Nocturnal trains in particular are of particular importance since night-time exposure may interfere with sleep. The present work investigates the impact of vibration and noise from night-time freight trains on human sleep. In an experimental polysomnographic laboratory study, 24 young healthy volunteers with normal hearing were exposed to simulated freight pass-bys with vibration amplitudes of 0.7 and 1.4 mm/s either 20 or 36 times during the night. Stronger vibrations were associated with higher probabilities of event-related arousals and awakenings (p < 0.001), and sleep stage changes (p < 0.05). Sleep macrostructure was most affected in high vibration nights with 36 events, with increased wakefulness (p < 0.05), reduced continual slow wave sleep (p < 0.05), earlier awakenings (p < 0.05) and an overall increase in sleep stage changes (p < 0.05). Subjects reported sleep disturbance due to vibration (F(4,92) = 25.9, p < 0.001) and noise (F(4,92) = 25.9, p < 0.001), with the number of trains having an effect only for the 0.7 mm/s condition (p < 0.05). The findings show that combined vibration and noise from railway freight affects the natural rhythm of sleep, but extrapolation of significance for health outcomes should be approached with caution. PMID:27090401

  18. First isomeric quadrupole moment measured in fragmentation reactions: The case of {sup 61}Fe{sup m}(9/2{sup +})

    SciTech Connect

    Vermeulen, N.; Yordanov, D. T.; Neyens, G.; Chamoli, S. K.; Hass, M.; Goldring, G.; Singh, B. S. Nara; Daugas, J. M.; Delaroche, J. P.; Girod, M.; Goutte, H.; Morel, P.; Perru, O.; Peru, S.; Roig, O.; Oliveira-Santos, F. de; Grevy, S.; Perrot, L.; Stefan, I.

    2007-05-15

    This paper demonstrates the feasibility of quadrupole moment measurements on isomeric levels populated in projectile fragmentation reactions. The neutron-rich {sup 61}Fe(9/2{sup +}) [E*= 861 keV, T{sub 1/2}= 239(5) ns] isomer was produced and spin aligned by the intermediate energy fragmentation of a {sup 64}Ni beam and implanted in a Cd single crystal. Its spectroscopic quadrupole moment |Q{sub s}|=41(6) e fm{sup 2} agrees with mean-field based calculations using the finite-range Gogny force, suggesting a moderately deformed shape characterized by an intrinsic charge quadrupole moment Q{sub 0}=-85 e fm{sup 2} or Q{sub 0}=+115 e fm{sup 2}. The present measurement paves the way for future determinations of isomeric quadrupole moments in more exotic nuclei.

  19. Synthetic studies toward halichlorine: complex azaspirocycle formation with use of an NBS-promoted semipinacol reaction.

    PubMed

    Hurley, Paul B; Dake, Gregory R

    2008-06-01

    The investigations of a synthetic route incorporating a NBS-promoted semipinacol rearrangement to the 6-azaspiro[4.5]decane fragment within halichlorine ( 1) are presented. A convergent approach was pursued, utilizing two chiral, enantiomerically enriched building blocks, 2-trimethylstannyl piperidene 10 and substituted cyclobutanone 19. Noteworthy synthetic operations in this study include the following: (a) a highly diastereoselective NBS-promoted semipinacol reaction that established four stereogenic centers in ketone 25 and (b) the use of a N- p-toluenesulfonyl-2-iodo-2-piperidene as a precursor to a basic organometallic reagent, which was critical to the success of the coupling of fragments 10 and 19. PMID:18444680

  20. Electron-impact-induced tryptophan molecule fragmentation

    NASA Astrophysics Data System (ADS)

    Tamuliene, Jelena; Romanova, Liudmila G.; Vukstich, Vasyl S.; Papp, Alexander V.; Snegursky, Alexander V.

    2015-01-01

    The fragmentation of a gas-phase tryptophan molecule by a low-energy (<70 eV) electron impact was studied both experimentally and theoretically. Various positively charged fragments were observed and analyzed. A special attention was paid to the energy characteristics of the ionic fragment yield. The geometrical parameters of the initial molecule rearrangement were also analyzed. The fragmentation observed was due to either a simple bond cleavage or more complex reactions involving molecular rearrangements. Contribution to the Topical Issue "Elementary Processes with Atoms and Molecules in Isolated and Aggregated States", edited by Friedrich Aumayr, Bratislav Marinkovic, Stefan Matejcik, John Tanis and Kurt H. Becker.

  1. Primary isotope yields and characteristic properties of the fragmenting source in heavy-ion reactions near the Fermi energy

    NASA Astrophysics Data System (ADS)

    Liu, X.; Lin, W.; Wada, R.; Huang, M.; Chen, Z.; Xiao, G. Q.; Zhang, S.; Jin, X.; Han, R.; Liu, J.; Shi, F.; Zheng, H.; Natowitz, J. B.; Bonasera, A.

    2014-07-01

    For central collisions of Ca40+Ca40 at 35 MeV/nucleon, the density and temperature of a fragmenting source have been evaluated in a self-consistent manner using the ratio of the symmetry energy coefficient relative to the temperature, asym/T, extracted from the yields of primary isotopes produced in antisymmetrized molecular dynamics (AMD) simulations. The asym/T values are extracted from all isotope yields using an improved method based on the modified Fisher model (MFM). The values of asym/T obtained, using different interactions with different density dependencies of the symmetry energy term, are correlated with the values of the symmetry energies at the density of fragment formation. Using this correlation, the fragment formation density is found to be ρ /ρ0=0.67±0.02. Using the input symmetry energy value for each interaction temperature values are extracted as a function of isotope mass A. The extracted temperature values are compared with those evaluated from the fluctuation thermometer with a radial flow correction.

  2. [Laser enhanced chemical reaction studies]. [Progress report

    SciTech Connect

    Not Available

    1992-04-01

    Experimental studies of dynamic molecular processes are described with particular emphasis on the use of a powerful infrared diode laser probe technique developed in our laboratory. This technique allows us to determine the final states of CO{sub 2} (and other molecules) produced by collisions, photofragmentation, or chemical reactions with a spectral resolution of 0.0003 cm{sup {minus}1} and a time resolution of 10{sup {minus}7} sec. Such high spectral resolution provides a detailed picture of the vibrational and rotational states of molecules produced by these dynamic events. We have used this experimental method to probe collisions between hot hydrogen/deuterium atoms and CO{sub 2}, between O({sup 1}D) atoms and CO{sub 2}, to study the final states of DC1 molecules produced as a result of the reactions of hot Cl atoms, and to investigate the dynamics of the reaction between OH and CO molecules. Advances in our techniques over the past two years have allowed us to identify and study more than 200 final rotational states in ten different vibrational levels of CO{sub 2} encompassing all 3 normal modes, many overtones, and combination states of the molecule. We have extended the technique to probe a variety of new molecules such as OCS, N{sub 2}O, DCl, and CS{sub 2}. All of this work is aimed at providing experimental tests for polyatomic molecule potential energy surfaces, chemical transition states in complex systems, and theories of reaction dynamic in molecules with more than 3 atoms.

  3. Fragment charge and energy distributions in the 1.8-4.8 GeV {sup 3}He + {sup nat}Ag, {sup 197}Au reactions

    SciTech Connect

    Bracken, D.S.; Foxford, E.R.; Kwiatkowski, K.

    1995-10-01

    Moving source fits have been performed for IMFs as a function of observables related to collision violence in the 1.8-4.8 GeV {sup 3}He +{sup nat}Ag, {sup l97}Au reactions. The systematic behavior of the source properties and fragment charge distributions will be reviewed. The evolution of the spectral Coulomb parameters provides evidence for nuclear expansion prior to multifragmentation, suggesting a breakup density of p/p{sub o} {approximately} 1/3. The charge distributions will be examined in terms of power-law fits and moment analyses.

  4. Strong enhancement of dynamical emission of heavy fragments in the neutron-rich {sup 124}Sn+{sup 64}Ni reaction at 35A MeV

    SciTech Connect

    Russotto, P.; Amorini, F.; Cavallaro, S.; Di Toro, M.; Giustolisi, F.; Porto, F.; Rizzo, F.; De Filippo, E.; Pagano, A.; Cardella, G.; Lanzano, G.; Papa, M.; Pirrone, S.; Piasecki, E.; Auditore, L.; Trifiro, A.; Trimarchi, M.

    2010-06-15

    A quantitative comparison is made between the absolute cross sections associated with statistical and dynamical emission of heavy fragments in the {sup 124}Sn+{sup 64}Ni and {sup 112}Sn+{sup 58}Ni collisions experimentally investigated at 35A MeV beam energy using the multidetector CHIMERA. The result shows that the dynamical process is about twice as probable in the neutron-rich {sup 124}Sn+{sup 64}Ni system as in the {sup 112}Sn+{sup 58}Ni neutron-poor one. This unexpected and significant difference indicates that the reaction mechanism is strongly dependent on the entrance-channel isospin (N/Z) content.

  5. COSMO-DFTr study of cellulosic fragments: structural features, relative energy, and hydration energies

    Technology Transfer Automated Retrieval System (TEKTRAN)

    The study of cellulosic fragments by DFTr is a continuation of our efforts to produce quality structural data that will be valuable to those working in the field of cellulose structure and enzymatic degradation. Using a reduced basis set and density functional DFTr(B3LYP), the time and computer dem...

  6. Characterization of infectious laryngotracheitis virus isolates from the US by polymerase chain reaction and restriction fragment length polymorphism of multiple genome regions.

    PubMed

    Oldoni, Ivomar; García, Maricarmen

    2007-04-01

    Infectious laryngotracheitis (ILT) is an acute viral respiratory disease, primarily of chickens. Economic losses attributable to ILT affect many poultry-producing areas throughout the United States (US) and the world. Despite efforts to control the disease by vaccination, prolonged epidemics of ILT remain a threat to the poultry industry. Earlier epidemiological and molecular evidence indicated that outbreaks in the US are caused by vaccine-related strains. In this study, polymerase chain reaction and restriction fragment polymorphism (PCR-RFLP) of four genome regions was utilized to characterize 25 isolates from commercial poultry and backyard flocks from the US. Combinations of PCR-RFLP patterns classified the ILT virus isolates into nine groups. Backyard flock isolates were categorized in three separate groups. The ILT virus US Department of Agriculture (USDA) reference strain and the tissue culture origin (TCO) vaccine strain were categorized into two separate groups. Twenty-two isolates from commercial poultry were categorized into four groups: one group, of six isolates, showed patterns identical to the chicken embryo origin (CEO) vaccines; a second group, of nine isolates, differed in only one pattern from the CEO vaccines; a third group, of two isolates, differed in only one pattern from the TCO vaccine; a fourth group, of five isolates, differed in six and nine patterns from the CEO and TCO vaccines, respectively. Results obtained from this study clearly demonstrated that most of the commercial poultry isolates (17 of 22 isolates) were closely related to the vaccine strains. However, isolates different to the vaccine strains were also identified in commercial poultry. PMID:17479379

  7. Experimental investigation of the residues produced in the {sup 136}Xe+Pb and {sup 124}Xe+Pb fragmentation reactions at 1A GeV

    SciTech Connect

    Henzlova, D.; Schmidt, K.-H.; Ricciardi, M. V.; Kelic, A.; Henzl, V.; Pleskac, R.; Yordanov, O.; Napolitani, P.; Benlliure, J.; Casarejos, E.; Kurtukian, T.; Ordonez, M. F.; Pereira, J.; Boudard, A.; Ducret, J. E.; Leray, S.; Villagrasa, C.

    2008-10-15

    The nuclide cross sections and longitudinal velocity distributions of residues produced in the reactions of {sup 136}Xe and {sup 124}Xe at 1A GeV in a lead target were measured at the high-resolution magnetic spectrometer, the fragment separator (FRS) of GSI. The data cover a broad range of isotopes of the elements between Z=3 and Z=56 for {sup 136}Xe and between Z=5 and Z=55 for {sup 124}Xe, reaching down to cross sections of a few microbarns. The velocity distributions exhibit a Gaussian shape for masses above A=20, while more complex behavior is observed for lighter masses. The isotopic distributions for both reactions preserve a memory on the projectile N/Z ratio over the whole residue mass range.

  8. Identification of raw and heat-processed meats from game bird species by polymerase chain reaction-restriction fragment length polymorphism of the mitochondrial D-loop region.

    PubMed

    Rojas, M; González, I; Fajardo, V; Martín, I; Hernández, P E; García, T; Martín, R

    2009-03-01

    Polymerase chain reaction-RFLP analysis has been applied to the identification of meats from quail (Coturnix coturnix), pheasant (Phasianus colchicus), red-legged partridge (Alectoris rufa), chukar partridge (Alectoris chukar), guinea fowl (Numida meleagris), capercaillie (Tetrao urogallus), Eurasian woodcock (Scolopax rusticola), and woodpigeon (Columba palumbus). Polymerase chain reaction amplification was carried out using a set of primers flanking a conserved region of approximately 310 bp from the mitochondrial D-loop region. Restriction site analysis based on sequence data from this DNA fragment permitted the selection of HinfI, MboII, and Hpy188III endonucleases for species identification. The restriction profiles obtained when amplicons were digested with the chosen enzymes allowed the unequivocal identification of all game bird species analyzed. Consistent results were obtained with both raw and heat-processed meats. PMID:19211540

  9. Computational Hydrocode Study of Target Damage due to Fragment-Blast Impact

    SciTech Connect

    Hatch-Aguilar, T; Najjar, F; Szymanski, E

    2011-03-24

    ), Pressure-Impulse (PI) and Time of Duration (TD). Other peculiarities include the radial decrease in pressure from the source, any fireball size measurement, and subsequent increase in temperature from the passing of the shockwave through the surrounding medium. In light of all of these metrics, the loading any object receives from a blast event becomes intricately connected to the distance between itself and the source. Because of this, a clear distinction is made between close-in effects and those from a source far away from the object of interest. Explosively generated fragments on the other hand are characterized by means of their localized damage potential. Metrics such as whether the fragment penetrates or perforates a given object is quantified as well as other variables including fragment's residual velocity, % kinetic energy decrease, residual fragment mass and other exit criteria. A fragment launched under such violent conditions could easily be traveling at speeds in excess of 2500 ft/s. Given these speeds it is conceivable to imagine how any given fragment could deliver a concentrated load to a target and penetrates through walls, vehicles or even the protection systems of nearby personnel. This study will focus on the individual fragment-target impact event with the hopes of expanding it to eventually include statistical procedures. Since this is a modeling excursion into the combined frag-blast target damage effects the numerical methods used to frame this problem become important in-so-far as the simulations are done in a consistent manner. For this study a Finite-Element based Hydrocode solution called ALE3D (ALE=Arbitrary Lagrangian-Eulerian) was utilized. ALE3D is developed by Lawrence Livermore National Laboratory (Livermore, CA), and as this paper will show, successfully implemented a converged ALE formulation including as many of the different aspects needed to query the synergistic damage on a given target. Further information on the modeling setup is

  10. Characterization of infectious laryngotracheitis virus (ILTV) isolates from commercial poultry by polymerase chain reaction and restriction fragment length polymorphism (PCR-RFLP).

    PubMed

    Oldoni, Ivomar; Rodríguez-Avila, Andrés; Riblet, Sylva; García, Maricarmen

    2008-03-01

    Infectious laryngotracheitis (ILT) is a highly contagious, acute respiratory disease of chickens, of worldwide distribution, that affects growth and egg production and leads to significant economic losses during periodic outbreaks of the disease. Live attenuated vaccines (chicken embryo origin [CEO] and tissue-culture origin [TCO]) have been widely used to control the disease in the United States. It is believed that most of the outbreaks in the United States are caused by vaccine-related isolates that persist in the field and spill over into naïve poultry populations. The objective of this study was to utilize the previously developed polymerase chain reaction and restriction fragment length polymorphism (PCR-RFLP) analysis to genotype recent ILT virus (ILTV) isolates from commercial poultry. Forty-six samples were collected during January 2006 to April 2007 from five poultry production regions of the United States and were characterized within PCR-RFLP groups III-VI. Sixty-three percent of the samples analyzed were categorized as closely related to the vaccine strains (groups III-V), whereas 33% were categorized as group VI viruses that differed in six and nine PCR-RFLP patterns from the CEO and TCO vaccines; a mixture of group IV and V viruses was detected in two samples (4%). In general, groups V and VI were the most prevalent viruses, found in 52% and 33% of the samples tested respectively. Both types of viruses were detected in vaccinated and nonvaccinated flocks. Although genetically different, both viruses produced severe disease in the field. PMID:18459297

  11. Differentiation of canine distemper virus isolates in fur animals from various vaccine strains by reverse transcription-polymerase chain reaction-restriction fragment length polymorphism according to phylogenetic relations in china

    PubMed Central

    2011-01-01

    In order to effectively identify the vaccine and field strains of Canine distemper virus (CDV), a new differential diagnostic test has been developed based on reverse transcription-polymerase chain reaction (RT-PCR) and restriction fragment length polymorphism (RFLP). We selected an 829 bp fragment of the nucleoprotein (N) gene of CDV. By RFLP analysis using BamHI, field isolates were distinguishable from the vaccine strains. Two fragments were obtained from the vaccine strains by RT-PCR-RFLP analysis while three were observed in the field strains. An 829 nucleotide region of the CDV N gene was analyzed in 19 CDV field strains isolated from minks, raccoon dogs and foxes in China between 2005 and 2007. The results suggest this method is precise, accurate and efficient. It was also determined that three different genotypes exist in CDV field strains in fur animal herds of the north of China, most of which belong to Asian type. Mutated field strains, JSY06-R1, JSY06-R2 and JDH07-F1 also exist in Northern China, but are most closely related to the standard virulent strain A75/17, designated in Arctic and America-2 genetype in the present study, respectively. PMID:21352564

  12. Experimental studies of gas-aerosol reactions

    NASA Astrophysics Data System (ADS)

    Gupta, Anand

    1991-05-01

    The aqueous phase oxidation of SO2 by H2O2 is believed to the principle mechanism for atmospheric sulfate formation in cloud droplets. However, no studies in noncloud aerosol systems have been reported. The objective is to quantify the importance of the noncloud liquid phase reactions of SO2 by H2O2 in the atmosphere. Growth rates of submicron droplets exposed to SO2 and H2O2 were measured using the tandem differential mobility analyzer (TDMA) technique (Rader and McMurry, 1986). The technique uses differential mobility analyzers (DMA's) to generate monodisperse particles and to measure particle size after the reaction. To facilitate submicron monodisperse droplet production with the DMA, a low-ion-concentration charter capable of generating singly charged particles up to 1.0 microns was developed and experimentally evaluated. The experiments were performed using dry and deliquesced (NH4)2SO4 particles with SO2 and H2O2 concentrations from 0-860 ppb and 0-150 ppb, respectively. No growth was observed for dry particles. For droplets greater than or equal to 0.3 microns, the fractional diameter growth was independent of particle size and for droplets less than or equal to 0.2 microns, it decreased as particle size decreased. The observed decrease is due to NH3 evaporation. As ammonia evaporates, droplet pH decreases causing the oxidation rate to decrease, leading to a lower growth rate. To predict the size-dependent growth rates, a theoretical model was developed using solution thermodynamics, gas/particle equilibrium, and chemical kinetics. The experimental and theoretical results are in reasonable agreement. For dry (NH4)2SO4 particles exposed to SO2, H2O2, NH3, and H2O vapor, surface reaction-controlled growth was observed. Particle growth was very sensitive to particle composition. No growth was observed for Polystyrene latex particles, whereas (NH4)2SO4 particles doped with catalysts (Fe(2+), Fe(3+), Mn(2+) and Cu(2+)) in a molar ratio of 1:500 grew slower than

  13. Pre-atmospheric parameters and fragment distribution: Case study for the Kosice meteoroid

    NASA Astrophysics Data System (ADS)

    Gritsevich, M.; Vinnikov, V.; Kuznetsova, D.; Kohout, T.; Pupyrev, Y.; Peltoniemi, J.; Tóth, J.; Britt, D.; Turchak, L.; Virtanen, J.

    2014-07-01

    We present results on our investigation on the Košice meteorite --- one of the recent falls with a well-derived trajectory and large number of recovered fragments. A fireball appeared over central-eastern Slovakia on February 28, 2010. The bolide reached an absolute magnitude of at least -18, enabling radiometers of the European Fireball Network to track the fireball despite the cloudy and rainy weather. The landing area was successfully computed on the basis of data from the surveillance cameras operating in Hungary and led to a fast meteorite recovery (Borovička et al. 2013). The first reported fragment of the meteorite was located northwest of the city of Košice in eastern Slovakia (Tóth et al. 2014). 218 fragments of the Košice meteorite, with a total mass of 11.285 kg, have been documented with almost 7 kg belonging to the collection of the Comenius University in Bratislava and Astronomical Institute of Slovak Academy of Sciences (Gritsevich et al. 2014). Based on the statistical investigation of the recovered fragments, bimodal Weibull, bimodal Grady, and bimodal lognormal distributions are found to be the most appropriate distributions for describing the Košice fragmentation process. The most probable scenario suggests that the Košice meteoroid, prior to further extensive fragmentation in the lower atmosphere, was initially represented by two independent pieces with cumulative residual masses of approximately 2 kg and 9 kg respectively (Gritsevich et al. 2014). About 1/3 of the recovered Košice fragments were thoroughly studied, including magnetic susceptibility, bulk and grain density measurements reported by Kohout et al. (2014). This analysis revealed that the Košice meteorites are H5 ordinary chondrites that originated from a homogenous parent meteoroid. To estimate the dynamic mass of the main fragment, we studied the first integral of the drag and mass-loss equations, and the geometrical relation along the meteor trajectory in the atmosphere

  14. Angular momentum dependence of complex fragment emission

    SciTech Connect

    Sobotka, L.G.; Sarantites, D.G.; Li, Z.; Dines, E.L.; Halbert, M.L.; Hensley, D.C.; Lisle, J.C.; Schmitt, R.P.; Majka, Z.; Nebbia, G.

    1987-12-01

    The angular momentum dependence of large fragment production in long-lived reactions is studied by measurements of fragment cross sections from reactions with substantially different angular momentum distributions and the coincident ..gamma..-ray multiplicity distributions. The results indicate that the primary l-wave distributions move to larger mean values and decrease in width and skewness with increasing mass symmetry in the decay channel. The results also confirm that the partition of angular momentum kinetic energy relaxed heavy-ion reactions is that expected for a rigidly rotating intermediate.

  15. Production of cold target-like fragments in the reaction of /sup 48/Ca+/sup 248/Cm

    SciTech Connect

    Gaeggeler, H.; Bruechle, W.; Bruegger, M.; Schaedel, M.; Suemmerer, K.; Wirth, G.; Kratz, J.V.; Lerch, M.; Blaich, T.; Herrmann, G.

    1986-06-01

    Yields for isotopes of Rn through Pu have been measured in the reaction /sup 48/Ca+/sup 248/Cm at an energy of 248--263 MeV (1.04--1.10 times the Coulomb barrier). Despite the low bombarding energy, high and essentially constant integral yields of about 1 to 2 mb for the elements Rn through U were observed. There is evidence that these nuclides are produced with little excitation energy.

  16. Asymmetry effects in fragment production

    NASA Astrophysics Data System (ADS)

    Kaur, Manpreet; Kaur, Varinderjit

    2016-05-01

    The production of different fragments has been studied by taking into account the mass asymmetry of the reaction and employing the momentum dependent interactions. Two different set of asymmetric reactions have been analyzed while keeping Atotal fixed using soft momentum dependent equation of state. Our results indicate that the impact of momentum dependent interactions is different in lighter projectile systems as compared to heavier ones. The comparative analysis of IQMD simulations with the experimental data in case of heavier projectile and lighter target system for the reaction of 197Au+27Al (η = 0.7) at E = 600 MeV/nucleon shows that with the inclusion of MDI we are able, upto some extent, to reproduce the experimental universality of rise and fall of intermediate mass fragments (IMFs).

  17. A High-Speed Imaging and Modeling Study of Dendrite Fragmentation Caused by Ultrasonic Cavitation

    NASA Astrophysics Data System (ADS)

    Shu, Da; Sun, Baode; Mi, Jiawei; Grant, Patrick S.

    2012-10-01

    The dynamic behavior of ultrasound-induced cavitation bubbles and their effect on the fragmentation of dendritic grains of a solidifying succinonitrile 1 wt pct camphor organic transparent alloy have been studied experimentally using high-speed digital imaging and complementary numerical analysis of sound wave propagation, cavitation dynamics, and the velocity field in the vicinity of an imploding cavitation bubble. Real-time imaging and analysis revealed that the violent implosion of bubbles created local shock waves that could shatter dendrites nearby into small pieces in a few tens of milliseconds. These catastrophic events were effective in breaking up growing dendritic grains and creating abundant fragmented crystals that may act as embryonic grains; therefore, these events play an important role in grain refinement of metallurgical alloys.

  18. A recoil ion momentum spectrometer for molecular and atomic fragmentation studies.

    PubMed

    Khan, Arnab; Tribedi, Lokesh C; Misra, Deepankar

    2015-04-01

    We report the development and performance studies of a newly built recoil ion momentum spectrometer for the study of atomic and molecular fragmentation dynamics in gas phase upon the impact of charged particles and photons. The present design is a two-stage Wiley-McLaren type spectrometer which satisfies both time and velocity focusing conditions and is capable of measuring singly charged ionic fragments up-to 13 eV in all directions. An electrostatic lens has been introduced in order to achieve velocity imaging. Effects of the lens on time-of-flight as well as on the position have been investigated in detail, both, by simulation and in experiment. We have used 120 keV proton beam on molecular nitrogen gas target. Complete momentum distributions and kinetic energy release distributions have been derived from the measured position and time-of-flight spectra. Along with this, the kinetic energy release spectra of fragmentation of doubly ionized nitrogen molecule upon various projectile impacts are presented. PMID:25933839

  19. A recoil ion momentum spectrometer for molecular and atomic fragmentation studies

    SciTech Connect

    Khan, Arnab; Tribedi, Lokesh C.; Misra, Deepankar

    2015-04-15

    We report the development and performance studies of a newly built recoil ion momentum spectrometer for the study of atomic and molecular fragmentation dynamics in gas phase upon the impact of charged particles and photons. The present design is a two-stage Wiley-McLaren type spectrometer which satisfies both time and velocity focusing conditions and is capable of measuring singly charged ionic fragments up-to 13 eV in all directions. An electrostatic lens has been introduced in order to achieve velocity imaging. Effects of the lens on time-of-flight as well as on the position have been investigated in detail, both, by simulation and in experiment. We have used 120 keV proton beam on molecular nitrogen gas target. Complete momentum distributions and kinetic energy release distributions have been derived from the measured position and time-of-flight spectra. Along with this, the kinetic energy release spectra of fragmentation of doubly ionized nitrogen molecule upon various projectile impacts are presented.

  20. Suppression of away-side jet fragments with respect to the reaction plane in Au + Au collisions at {radical}(s{sub NN})=200 GeV

    SciTech Connect

    Adare, A.; Bickley, A. A.; Ellinghaus, F.; Glenn, A.; Kinney, E.; Kiriluk, K.; Linden Levy, L. A.; Nagle, J. L.; Rosen, C. A.; Seele, J.; Wysocki, M.; Afanasiev, S.; Isupov, A.; Litvinenko, A.; Malakhov, A.; Peresedov, V.; Rukoyatkin, P.; Zolin, L.; Aidala, C.; Datta, A.

    2011-08-15

    Pair correlations between large transverse momentum neutral pion triggers (p{sub T}=4--7 GeV/c) and charged hadron partners (p{sub T}=3--7 GeV/c) in central (0%-20%) and midcentral (20%-60%) Au+Au collisions at {radical}(s{sub NN})=200 GeV are presented as a function of trigger orientation with respect to the reaction plane. The particles are at larger momentum than where jet shape modifications have been observed, and the correlations are sensitive to the energy loss of partons traveling through hot dense matter. An out-of-plane trigger particle produces only 26{+-}20% of the away-side pairs that are observed opposite of an in-plane trigger particle for midcentral (20%-60%) collisions. In contrast, near-side jet fragments are consistent with no suppression or dependence on trigger orientation with respect to the reaction plane. These observations are qualitatively consistent with a picture of little near-side parton energy loss either due to surface bias or fluctuations and increased away-side parton energy loss due to a long path through the medium. The away-side suppression as a function of reaction-plane angle is shown to be sensitive to both the energy loss mechanism and the space-time evolution of heavy-ion collisions.

  1. Double Gene Targeting Multiplex Polymerase Chain Reaction-Restriction Fragment Length Polymorphism Assay Discriminates Beef, Buffalo, and Pork Substitution in Frankfurter Products.

    PubMed

    Hossain, M A Motalib; Ali, Md Eaqub; Abd Hamid, Sharifah Bee; Asing; Mustafa, Shuhaimi; Mohd Desa, Mohd Nasir; Zaidul, I S M

    2016-08-17

    Beef, buffalo, and pork adulteration in the food chain is an emerging and sensitive issue. Current molecular techniques to authenticate these species depend on polymerase chain reaction (PCR) assays involving long and single targets which break down under natural decomposition and/or processing treatments. This novel multiplex polymerase chain reaction-restriction fragment length polymorphism assay targeted two different gene sites for each of the bovine, buffalo, and porcine materials. This authentication ensured better security, first through a complementation approach because it is highly unlikely that both sites will be missing under compromised states, and second through molecular fingerprints. Mitochondrial cytochrome b and ND5 genes were targeted, and all targets (73, 90, 106, 120, 138, and 146 bp) were stable under extreme boiling and autoclaving treatments. Target specificity and authenticity were ensured through cross-amplification reaction and restriction digestion of PCR products with AluI, EciI, FatI, and CviKI-1 enzymes. A survey of Malaysian frankfurter products revealed rampant substitution of beef with buffalo but purity in porcine materials. PMID:27501408

  2. VUV photo-processing of PAH cations: quantitative study on the ionization versus fragmentation processes

    PubMed Central

    Zhen, Junfeng; Castillo, Sarah Rodriguez; Joblin, Christine; Mulas, Giacomo; Sabbah, Hassan; Giuliani, Alexandre; Nahon, Laurent; Martin, Serge; Champeaux, Jean-Philippe; Mayer, Paul M.

    2016-01-01

    Interstellar polycyclic aromatic hydrocarbons (PAHs) are strongly affected by the absorption of vacuum ultraviolet (VUV) photons in the interstellar medium (ISM), yet the branching ratio between ionization and fragmentation is poorly studied. This is crucial for the stability and charge state of PAHs in the ISM in different environments, affecting in turn the chemistry, the energy balance, and the contribution of PAHs to the extinction and emission curves. We studied the interaction of PAH cations with VUV photons in the 7 – 20 eV range from the synchrotron SOLEIL beamline, DESIRS. We recorded by action spectroscopy the relative intensities of photo-fragmentation and photo-ionization for a set of eight PAH cations ranging in size from 14 to 24 carbon atoms, with different structures. At photon energies below ~13.6 eV fragmentation dominates for the smaller species, while for larger species ionization is immediately competitive after the second ionization potential (IP). At higher photon energies, all species behave similarly, the ionization yield gradually increases, leveling off between 0.8 and 0.9 at ~18 eV. Among isomers, PAH structure appears to mainly affect the fragmentation cross section, but not the ionization cross section. We also measured the second IP for all species and the third IP for two of them, all are in good agreement with theoretical ones confirming that PAH cations can be further ionized in the diffuse ISM. Determining actual PAH dication abundances in the ISM will require detailed modeling. Our measured photo-ionization yields for several PAH cations provide a necessary ingredient for such models. PMID:27212712

  3. VUV Photo-processing of PAH Cations: Quantitative Study on the Ionization versus Fragmentation Processes

    NASA Astrophysics Data System (ADS)

    Zhen, Junfeng; Rodriguez Castillo, Sarah; Joblin, Christine; Mulas, Giacomo; Sabbah, Hassan; Giuliani, Alexandre; Nahon, Laurent; Martin, Serge; Champeaux, Jean-Philippe; Mayer, Paul M.

    2016-05-01

    Interstellar polycyclic aromatic hydrocarbons (PAHs) are strongly affected by the absorption of vacuum ultraviolet (VUV) photons in the interstellar medium (ISM), yet the branching ratio between ionization and fragmentation is poorly studied. This is crucial for the stability and charge state of PAHs in the ISM in different environments, affecting in turn the chemistry, the energy balance, and the contribution of PAHs to the extinction and emission curves. We studied the interaction of PAH cations with VUV photons in the 7–20 eV range from the synchrotron SOLEIL beamline, DESIRS. We recorded by action spectroscopy the relative intensities of photo-fragmentation and photo-ionization for a set of eight PAH cations ranging in size from 14 to 24 carbon atoms, with different structures. At photon energies below ∼13.6 eV fragmentation dominates for the smaller species, while for larger species ionization is immediately competitive after the second ionization potential (IP). At higher photon energies all species behave similarly; the ionization yield gradually increases, leveling off between 0.8 and 0.9 at ∼18 eV. Among isomers, PAH structure appears to mainly affect the fragmentation cross section but not the ionization cross section. We also measured the second IP for all species and the third IP for two of them; all are in good agreement with theoretical ones, confirming that PAH cations can be further ionized in the diffuse ISM. Determining actual PAH dication abundances in the ISM will require detailed modeling. Our measured photo-ionization yields for several PAH cations provide a necessary ingredient for such models.

  4. Studies of heavy ion reactions and transuranic nuclei. Progress report, August 1, 1983-August 31, 1984

    SciTech Connect

    Huizenga, J.R.; Schroeder, W.U.

    1984-08-01

    The status of the current understanding of the microscopic mechanisms operating in damped nuclear reactions is reviewed. Several experimental and conceptual problems of attempts to determine the nuclear interaction potential for distances inside the fusion barrier are discussed. An explanation of the unexpectedly large angular anisotropies of fragments from fission of heavy systems produced at large spins has been found in terms of the statistical scission model. In this model, the phase space available to the final deformed fission fragments governs the fission probability. Processes associated with incomplete linear-momentum transfer have been studied for 292-MeV /sup 20/Ne-induced fission with targets of /sup 165/Ho, /sup 181/Ta, /sup 197/Au, /sup 209/Bi, and /sup 238/U. Preequilibrium neutron emission has been studied in central and peripheral /sup 165/Ho + /sup 20/Ne and /sup 165/Ho + /sup 12/C collisions at bombarding energies between 11 and 25 MeV/nucleon. In preparation of kinematically complete coincidence experiments, a fast, position-sensitive avalanche detector with a large active area has been developed. The theoretical framework of the statistical scission model for fission has been reconsidered. Exclusive measurements were made of alpha particles emitted in the damped reaction /sup 165/Ho + /sup 56/Fe at E/sub Lab/ = 465 MeV. The data were interpreted with the aid of rather detailed Monte Carlo evaporation simulations. As part of an extensive coincidence study of equilibration mechanisms in damped reactions, inclusive measurements of projectile-like and fusion-fission-like fragments have been performed for the /sup 197/Au + /sup 51/V system at E/sub Lab/ = 447 MeV. The damped reaction features have been interpreted in terms of phenomenological reaction models. (WHK)

  5. Imidate-Based Cross-Linkers for Structural Proteomics: Increased Charge of Protein and Peptide Ions and CID and ECD Fragmentation Studies

    NASA Astrophysics Data System (ADS)

    Koolen, Hector H. F.; Gomes, Alexandre F.; Schwab, Nicolas V.; Eberlin, Marcos N.; Gozzo, Fabio C.

    2014-07-01

    Chemical cross-linking is an attractive low-resolution technique for structural studies of protein complexes. Distance constraints obtained from cross-linked peptides identified by mass spectrometry (MS) are used to construct and validate protein models. Amidinating cross-linkers such as diethyl suberthioimidate (DEST) have been used successfully in chemical cross-linking experiments. In this work, the application of a commercial diimidate cross-linking reagent, dimethyl suberimidate (DMS), was evaluated with model peptides and proteins. The peptides were designed with acetylated N-termini followed by random sequences containing two Lys residues separated by an Arg residue. After cross-linking reactions, intra- and intermolecular cross-linked species were submitted to CID and ECD dissociations to study their fragmentation features in the gas phase. Fragmentation of intramolecular peptides by collision induced dissociation (CID) demonstrates a unique two-step fragmentation pathway involving formation of a ketimine as intermediate. Electron capture and electron transfer dissociation (ECD and ETD) experiments demonstrated that the cyclic moiety is not dissociated. Intermolecular species demonstrated previously described fragmentation behavior in both CID and ECD experiments. The charge state distributions (CSD) obtained after reaction with DMS were compared with those obtained with disuccinimidyl suberate (DSS). CSDs for peptides and proteins were increased after their reaction with DMS, owing to the higher basicity of DMS modified species. These features were also observed in LC-MS experiments with bovine carbonic anhydrase II (BCA) after cross-linking with DMS and tryptic proteolysis. Cross-linked peptides derived from this protein were identified at high confidence and those species were in agreement with the crystal structure of BCA.

  6. Discrimination among thermophilic Campylobacter species by polymerase chain reaction amplification of 23S rRNA gene fragments.

    PubMed Central

    Eyers, M; Chapelle, S; Van Camp, G; Goossens, H; De Wachter, R

    1993-01-01

    By comparing nucleic acid sequences determined for one of the most variable areas of 23S rRNA genes of 23 Campylobacter strains, we were able to identify regions specific for thermophilic Campylobacter strains. Oligonucleotide primers corresponding to these unique regions were synthesized and used in the polymerase chain reaction. One primer pair selectively detected all thermophilic Campylobacter species, while four other primer pairs allowed discrimination among the thermophilic species Campylobacter coli, Campylobacter jejuni subsp. jejuni, Campylobacter lari, and Campylobacter upsaliensis. All primer sets were tested successfully on a large number of clinical isolates. Images PMID:7508460

  7. Examination of meat components in commercial dog and cat feed by using polymerase chain reaction-restriction fragment length polymorphisms (PCR-RFLPs) technique.

    PubMed

    Wang, Hsien-Chi; Lee, Shu-Hwae; Chang, Tien-Jye; Wong, Min-Liang

    2004-07-01

    It has been shown that certain slow neurological diseases such as bovine spongiform encephalopathy (also known as "mad cow" disease) could be transmitted through contaminated food intake by animals; therefore, the examination of meat components in commercial feeds is important for the control of the disease in public health. The combination of polymerase chain reaction-restriction fragment length polymorphisms (PCR-RFLPs) technique was applied to examine the meat components in dog and cat commercial feeds. The partial nucleotide sequence (359 bp) of animal mitochondrial cytochrome b (cytb, CYT) gene was amplified by PCR and then digested with restriction enzyme Alu I or Mbo I. In this work, eight brands of commercial dog and cat feeds available in Taiwan were examined. All brands of dog feeds that were tested contained meat from four different animals (cattle, pig, goat and chicken). In cat feeds, the chicken meat was found in five out of eight brands. PMID:15297759

  8. Towards the Total Synthesis of Pl-3: Preparation of the Eastern Fragment through a Diastereoselective SmI2-Mediated Reformatsky Reaction

    PubMed Central

    Fürst, Rita; Lentsch, Christoph; Rinner, Uwe

    2013-01-01

    The jatrophane diterpene Pl-3, isolated in 2003 from Euphorbia platyphyllos, is a structurally complex natural product with highly promising biological properties that include pronounced antiproliferative activity and the inhibition of the efflux-pump activity of multidrug resistance p-glycoprotein. Herein, the synthesis of the eastern fragment of Pl-3 is outlined. The target compound is synthesized in nine synthetic operations in good overall yield, starting from readily available d-ribose. The key step in the preparation of the eastern part of Pl-3 is a diastereoselective SmI2-mediated Reformatsky reaction. The proposed route is highly flexible and could also be applied to the synthesis of structurally related jatrophane diterpenes. PMID:23687456

  9. Fragmentation of mercury compounds under ultraviolet light irradiation

    SciTech Connect

    Kokkonen, E.; Hautala, L.; Jänkälä, K.; Huttula, M.; Löytynoja, T.

    2015-08-21

    Ultraviolet light induced photofragmentation of mercury compounds is studied experimentally with electron energy resolved photoelectron-photoion coincidence techniques and theoretically with computational quantum chemical methods. A high resolution photoelectron spectrum using synchrotron radiation is presented. Fragmentation of the molecule is studied subsequent to ionization to the atomic-mercury-like d orbitals. State dependent fragmentation behaviour is presented and specific reactions for dissociation pathways are given. The fragmentation is found to differ distinctly in similar orbitals of different mercury compounds.

  10. TARGET FRAGMENT ENERGIES AND MOMENTA IN THE REACTION OF 4.8 GeV {sup 12}C AND 5.0 GeV {sup 20}Ne WITH {sup 238}U

    SciTech Connect

    Loveland, W.; Luo, Cheng; McGaughey, P. L.; Morrissey, D. J.; Seaborg, G. T.

    1980-10-01

    Target fragment recoil properties were measured using the thick target-thick catcher technique for the interaction of 4.8 GeV {sup 12}C and 5.0 GeV {sup 20}Ne with {sup 238}U. The target fragment energies and momenta are very similar for the reaction of 4.8 GeV (400 MeV/A) {sup 12}C and 5.0 GeV (250 MeV/A) {sup 20}Ne with {sup 238}U. In the complex variation of fragment momenta with their N/Z ratio, one finds evidence suggesting the existence of several mechanisms leading to the formation of the target fragments. Comparison of these results with the predictions of the intranuclear cascade model of Yariv and Fraenkel and the firestreak model shows that both model predictions grossly overestimate the target fragment momenta.

  11. Density functional studies of representative pericyclic reactions

    NASA Astrophysics Data System (ADS)

    Carpenter, John E.; Sosa, Carlos P.

    1994-07-01

    Density functional theory (DFT) has traditionally been shunned by computational chemists, but has long seen widespread use in the physics community. Recently, however, DFT has been adopted by the ab initio quantum chemistry community and much activity has been devoted to refining the methodology and exploring the range of its applicability. We investigate the use of DFT (both local (LDF) and non-local (NLDF) spin density approximations) to calculate transition and equilibrium structures for three representative pericyclic reactions: the electrocyclic ring opening reaction of cyclobutene, the [1,5] sigmatropic hydrogen shift reaction in (Z)-1,3-pentadiene, and the Diels-Alder cycloaddition reaction between ethylene and butadiene. LDF theory tends to overemphasize the stability of the ringed structures in each of these reactions. For example, LDF predicts a very low (6 kcal mol -1) barrier to reaction for the Deils-Alder reaction. NLDF theory substantially improves the calculated reaction barrier (20 kcal mol -1), but it is still low with respect to experiment.

  12. Experimental and numerical study of thin fragments protection for radiographic detectors

    NASA Astrophysics Data System (ADS)

    Bozier, Olivier; Counilh, Denis; Gillot, Fabrice; Adolf, Lise-Marie; Silvin, Pascale; Rambert, Nicolas; Hebert, David; Bertron, Isabelle

    2015-06-01

    To perform a non-intrusive measurement on a pyrotechnic setup, we usually use radiography. But due to blast and fragments, the X-ray generator head and the detectors of the radiographic chain must be protected. Since the detector holds the data we want to collect, he cannot be sacrificed. The constitution of detector shielding is therefore an essential part of a radiographic chain. The choice of shielding should take into account two conflicting needs. On one hand, shielding must be sufficiently resistant to protect the detector from the blast and fragments generated. On the other hand, it should be thin enough in order to attenuate as little as possible the radiographic signal. We carried out an experimental campaign to test the performances of various shieldings. Cylindrical projectiles of various masses (from 20g to 40g) and aspect ratios (length to diameter ratio from 0.1 to 1) that are representative fragments, have been launched with a gas gun with different initial velocities (from 1500m/s up to 2000m/s). Multiple shielding configurations have been tested. They were assemblies of successive steel, aluminum and B4C plates. Combined with a numerical study, we optimize disposition and thicknesses of the plates which fulfils our requirements in terms of detector protection and radiographic measurement.

  13. School Social Fragmentation, Economic Deprivation and Social Cohesion and Adolescent Physical Inactivity: A Longitudinal Study

    PubMed Central

    Pabayo, Roman; Janosz, Michel; Bisset, Sherri; Kawachi, Ichiro

    2014-01-01

    Objectives To examine the independent influence of school economic deprivation, social fragmentation, and social cohesion on the likelihood of participating in no physical activity among students. Methods Data are from a large-scale longitudinal study of schools based in disadvantaged communities in Quebec, Canada. Questionnaires were administered every year between 2002 and 2008 among n = 14,924 students aged 12 to 18 from a sample of 70 schools. Cross-sectional and longitudinal analyses were conducted. Multilevel modeling was utilized to account for the clustering of students within schools. Schools were categorized as being low, moderate or high economic deprivation, social fragmentation and social cohesion. Those who indicated that they do no participate in any physical activity during the week were identified as being physically inactive. Results In baseline multilevel cross-sectional analyses, adolescents attending schools in the highest (compared to the lowest) levels of socioeconomic deprivation and social fragmentation were more likely to be physically inactive (OR = 1.33, 95% CI = 1.03, 1.72; and OR = 1.24, 95% CI = 0.98, 1.56, respectively). Conversely, students attending schools with the highest cohesion were less likely to be physically inactive (OR = 0.78, 95% CI = 0.61, 0.99). In longitudinal analysis, physically active students who attended schools with the highest social fragmentation were more likely to become physically inactive over two years (OR = 1.65, 95% CI = 1.09, 2.51). Conclusion The school socioeconomic environment appears to be an important contextual influence on participation in no physical activity among adolescents. Following adolescents beyond two years is necessary to determine if these environments have a lasting effect on physical activity behavior. PMID:24932679

  14. The N-terminal fragment of the tomato torrado virus RNA1-encoded polyprotein induces a hypersensitive response (HR)-like reaction in Nicotiana benthamiana.

    PubMed

    Wieczorek, Przemysław; Obrępalska-Stęplowska, Aleksandra

    2016-07-01

    The hypersensitive response (HR) is a defence reaction observed during incompatible plant-pathogen interactions in plants infected with a wide range of fungi, bacteria and viruses. Here, we show that an N-terminal polyprotein fragment encoded by tomato torrado virus RNA1, located between the first ATG codon and the protease cofactor (ProCo) motif, induces an HR-like reaction in Nicotiana benthamiana. Agrobacterium tumefaciens-mediated transient expression of the first 105 amino acids (the calculated molecular weight of the fragment was ca. 11.33 kDa, hereafter refered to as the 11K domain) from ToTV RNA1 induced an HR-like phenotype in infiltrated leaves. To investigate whether the 11K domain could influence the virulence and pathogenicity of a recombinant virus, we created a potato virus X (PVX) with the 11K coding sequence inserted under a duplicated coat protein promoter. We found that 11K substantially increased the virulence of the recombinant virus. Disease phenotype induced in N. benthamiana by PVX-11K was characterized by strong local and systemic necrosis. This was not observed when the 11K domain was expressed from PVX in an antisense orientation. Further analyses revealed that the 11K domain could not suppress posttranscriptional gene silencing (PTGS) of green fluorescent protein (GFP) in the N. benthamiana 16c line. In silico analysis of the predicted secondary structure of the 11K domain indicated the presence of two putative helices that are highly conserved in tomato-infecting representatives of the genus Torradovirus. PMID:27072852

  15. Preferred Modes of Decay in Nuclear Fragmentation

    NASA Astrophysics Data System (ADS)

    Aranda, Alfredo; López, Jorge A.; Wu, Zehua

    1997-04-01

    Recent experiments show a characteristic energy dependence of the different fragmentation modes in heavy ion reactions at intermediate energies. In this work we study this effect and find that, in nuclear fragmentation, like in binary fission, some modes of decay are more probable than the rest. We argue that these high probability mass partitions are ultimately responsible for the observed energy dependence. This work was supported by the National Science Foundation grant PHY-9600038 and Artemio de la Vega Foundation.

  16. Study of char gasification in a reaction/adsorption apparatus

    SciTech Connect

    Sotirchos, S.V.; Crowley, J.A.

    1987-09-01

    The reaction of an activated carbon (coconut char) with CO/sub 2/ was studied in a reaction/adsorption apparatus which allows successive reactivity and physical adsorption measurements to be made on the same solid sample. Reaction and surface area evolution data were obtained in the temperature range from 800 to 900/sup 0/C. All reaction rate trajectories obtained in this study showed a maximum in the reaction rate, 2-3 times higher than the initial rate, at about 85% conversion. There was no correlation between these results and the evolution of the internal surface area although the reaction appeared to take place initially in the kinetically controlled regime.

  17. Reaction studies of hot silicon, germanium and carbon atoms

    SciTech Connect

    Gaspar, P.P.

    1986-11-15

    Research has been continued on hot silicon, germanium and carbon atoms. Progress in the period November 16, 1985 to November 15, 1986 is reviewed in the following areas: (1) Recoil atom reaction studies. (2) Reactions of thermally generated free atoms.

  18. Studies of photoredox reactions on nanosize semiconductors

    SciTech Connect

    Wilcoxon, J.P.; Parsapour, F.; Kelley, D.F.

    1997-08-01

    Light induced electron transfer (ET) from nanosize semiconductors of MoS{sub 2} to organic electron acceptors such as 2,2{prime}-bipyridine (bpy) and methyl substituted 4,4{prime},5,5{prime}-tetramethyl-2,2{prime}-bipyridine (tmb) was studied by static and time resolved photoluminescence spectroscopy. The kinetics of ET were varied by changing the nanocluster size (the band gap), the electron acceptor, and the polarity of the solvent. MoS{sub 2} is an especially interesting semiconductor material as it is an indirect semiconductor in bulk form, and has a layered covalent bonding arrangement which is highly resistant to photocorrosion. Et occurs following photoexcitation of the direct band gap. Quantum confinement results in the smaller nanoclusters having higher conduction band energies, and therefore larger ET driving forces. The ET reaction energies may be varied by changing the electron acceptor, by varying the size of the MoS{sub 2} nanocluster or by varying the polarity of the solvent. In addition, varying the polarity of the solvent affects the reorganization energy and the barrier to electron transfer. TMB is harder to reduce, and thus has a smaller ET driving force than bpy. The solvent polarity is varied by varying the composition of acetonitrile/benzene mixed solvents.

  19. Investigation of the reaction {sup 208}Pb({sup 18}O, f): Folding angular distributions of fission fragments and gamma-ray multiplicity

    SciTech Connect

    Rusanov, A. Ya. Itkis, M. G.; Kondratiev, N. A.; Pokrovsky, I. V.; Salamatin, V. S.; Chubarian, G. G.

    2007-10-15

    Correlations between folding angular distributions of fission fragments and the gamma-ray multiplicity are studied for {sup 18}O + {sup 208}Pb interactions at energies of the beam of {sup 18}O ions in the range E{sub lab} = 78-198.5 MeV. The probabilities are determined for complete-and incomplete-fusion processes inevitably followed by the fission of nuclei formed in these processes. It is found that the probability of incomplete fusion followed by fission increases with increasing energy of bombarding ions. It is shown that, for the incomplete-fusion process, folding angular distributions of fission fragments have a two-component structure. The width of folding angular distributions (FWHM) for complete fusion grows linearly with increasing energy of {sup 18}O ions. The multiplicity of gamma rays from fission fragments as a function of the linear-momentum transfer behaves differently for different energies of projectile ions. This circumstance is explained here by the distinction between the average angular momenta of participant nuclei in the fusion and fission channels, which is due to the difference in the probabilities of fission in the cases where different numbers of nucleons are captured by the target nucleus.

  20. Characteristics of vestibulosensory reactions studied by experimental caloric test

    NASA Technical Reports Server (NTRS)

    Kapranov, V. Z.

    1980-01-01

    Vestibulo-sensory reactions were studied in 135 workers who were in contact with nitroethers, by the method of an experimental caloric test. The response vestibulo-sensory reactions were recorded by means of an electroencephalograph. The changes in the sensory reaction depended on the duration of the workers' contact with toxic agents. A study of illusion reactions by the labyrinth calorization widens diagnostic possibilities in the examination of functional condition of the vestibular analyser considerably.

  1. Determination of locust bean gum and guar gum by polymerase chain reaction and restriction fragment length polymorphism analysis.

    PubMed

    Meyer, K; Rosa, C; Hischenhuber, C; Meyer, R

    2001-01-01

    A polymerase chain reaction (PCR) was developed to differentiate the thickening agents locust bean gum (LBG) and the cheaper guar gum in finished food products. Universal primers for amplification of the intergenic spacer region between trnL 3' (UAA) exon and trnF (GAA) gene in the chloroplast (cp) genome and subsequent restriction analysis were applied to differentiate guar gum and LBG. The presence of <5% (w/w) guar gum powder added to LBG powder was detectable. Based on data obtained from sequencing this intergenic spacer region, a second PCR method for the specific detection of guar gum DNA was also developed. This assay detected guar gum powder in LBG in amounts as low as 1% (w/w). Both methods successfully detected guar gum and/or LBG in ice cream stabilizers and in foodstuffs, such as dairy products, ice cream, dry seasoning mixes, a finished roasting sauce, and a fruit jelly product, but not in products with highly degraded DNA, such as tomato ketchup and sterilized chocolate cream. Both methods detected guar gum and LBG in ice cream and fresh cheese at levels <0.1%. PMID:11234856

  2. Fragmentation dynamics of the ethyl bromide and ethyl iodide cations: a velocity-map imaging study.

    PubMed

    Gardiner, Sara H; Karsili, Tolga N V; Lipciuc, M Laura; Wilman, Edward; Ashfold, Michael N R; Vallance, Claire

    2014-02-01

    The photodissociation dynamics of ethyl bromide and ethyl iodide cations (C2H5Br(+) and C2H5I(+)) have been studied. Ethyl halide cations were formed through vacuum ultraviolet (VUV) photoionization of the respective neutral parent molecules at 118.2 nm, and were photolysed at a number of ultraviolet (UV) photolysis wavelengths, including 355 nm and wavelengths in the range from 236 to 266 nm. Time-of-flight mass spectra and velocity-map images have been acquired for all fragment ions and for ground (Br) and spin-orbit excited (Br*) bromine atom products, allowing multiple fragmentation pathways to be investigated. The experimental studies are complemented by spin-orbit resolved ab initio calculations of cuts through the potential energy surfaces (along the RC-Br/I stretch coordinate) for the ground and first few excited states of the respective cations. Analysis of the velocity-map images indicates that photoexcited C2H5Br(+) cations undergo prompt C-Br bond fission to form predominantly C2H5(+) + Br* products with a near-limiting 'parallel' recoil velocity distribution. The observed C2H3(+) + H2 + Br product channel is thought to arise via unimolecular decay of highly internally excited C2H5(+) products formed following radiationless transfer from the initial excited state populated by photon absorption. Broadly similar behaviour is observed in the case of C2H5I(+), along with an additional energetically accessible C-I bond fission channel to form C2H5 + I(+) products. HX (X = Br, I) elimination from the highly internally excited C2H5X(+) cation is deemed the most probable route to forming the C2H4(+) fragment ions observed from both cations. Finally, both ethyl halide cations also show evidence of a minor C-C bond fission process to form CH2X(+) + CH3 products. PMID:24317740

  3. Cross sections of projectile-like fragments in the reaction {sup 19}F+{sup 66}Zn in the beam energy range of 3-6 MeV/nucleon

    SciTech Connect

    Tripathi, R.; Sudarshan, K.; Sodaye, S.; Reddy, A. V. R.; Goswami, A.; Sharma, S. K.; Nayak, B. K.

    2009-06-15

    Angular distributions of projectile-like fragments (PLFs) have been measured in the reaction {sup 19}F+{sup 66}Zn at E{sub lab}=61,82,92, and 109 MeV to understand their formation in the low energy domain (< or approx. 7 MeV nucleon). In this energy range, maximum angular momentum 'l{sub max}' in the reaction is lower than or close to the critical or limiting angular momentum for complete fusion 'l{sub lim}(CF).' The sum-rule model was modified to explain the cross sections of PLFs in the present study. For the first time, the modified sum-rule model, with a competition of incomplete fusion (ICF) reaction with complete fusion below l{sub lim}(CF) reasonably reproduced the cross sections of PLFs in the beam energy range of the present study. It was observed that the cross sections of lighter PLFs fall more rapidly with decreasing beam energy compared to those of heavier PLFs, suggesting a change in the reaction mechanism from heavier to lighter PLFs. Transfer probabilities for peripheral collisions were calculated within the framework of a semiclassical formalism. The parameters of the nuclear potential required for the calculation of transfer probability were obtained by fitting the elastic scattering data measured in the present work. Calculated transfer probabilities were significantly lower compared to the corresponding experimental values, suggesting a significant overlap of the projectile and the target nuclei in incomplete fusion reactions. The present analysis showed that the overlap of the projectile and the target nuclei increases with increasing mass transfer at a given beam energy and for a given PLF, overlap increases with increasing beam energy.

  4. Laser studies of chemical reaction and collision processes

    SciTech Connect

    Flynn, G.

    1993-12-01

    This work has concentrated on several interrelated projects in the area of laser photochemistry and photophysics which impinge on a variety of questions in combustion chemistry and general chemical kinetics. Infrared diode laser probes of the quenching of molecules with {open_quotes}chemically significant{close_quotes} amounts of energy in which the energy transferred to the quencher has, for the first time, been separated into its vibrational, rotational, and translational components. Probes of quantum state distributions and velocity profiles for atomic fragments produced in photodissociation reactions have been explored for iodine chloride.

  5. Kinetic Study of the Heck Reaction: An Interdisciplinary Experiment

    ERIC Educational Resources Information Center

    Gozzi, Christel; Bouzidi, Naoual

    2008-01-01

    The aim of this experiment is to study and calculate the kinetic constant of a Heck reaction: the arylation of but-3-en-2-ol by iodobenzene catalyzed by palladium acetate in presence of triethylamine in DMF. The reaction leads to a mixture of two ketones. Students use GC analysis to quantify reagents and products of reaction. They control the…

  6. Staff Reactions to Challenging Behaviour: An Observation Study

    ERIC Educational Resources Information Center

    Lambrechts, Greet; Van Den Noortgate, Wim; Eeman, Lieve; Maes, Bea

    2010-01-01

    Staff reactions play an important role in the development and maintaining of clients' challenging behaviour. Because there is a paucity of research on staff reactions in naturalistic settings, this study examined sequential associations between challenging behaviour and staff reactions by means of a descriptive analysis. We analysed video…

  7. Antibody fragment recognition layers for surface plasmon resonance biosensing: a parametric study

    NASA Astrophysics Data System (ADS)

    Magalhães, André; Bordeira, Sandro; Almeida, Ana Cristina; Fontes, Vanessa; Costa, Maria João L.; Fonseca, Luís P.; da Fonseca, João Garcia

    2009-02-01

    A comparative study is reported regarding the use of two different surface plasmon resonance (SPR) biosensors, a homemade SPR grating biosensor and a reference prism coupled biosensor, to perform quantification of C-reactive protein (CRP) in human blood serum. Surface functionalization was conducted using anti-CRP fragments immobilized directly on gold. Adsorption time optimization for the antibody fragments monolayer, non-specific binding (NSB) resistance evaluation and CRP detection were conducted, with better results achieved by the grating biosensor on all topics, namely less functionalization time, higher resistance to NSB and wider CRP dynamic concentration range. A study regarding comparison between continuous flow and surface coating immobilization is also reported in this work. We have shown that surface coating immobilization achieves similar NSB resistance and CRP detection results, allowing a 75% assay cost reduction by lower solution volume requirement. Results suggest that the coating immobilization technique is the best suited to be used in further studies in order to obtain a viable immunosensor for CRP and other biomarkers detection in complex biological fluids.

  8. Soot Reaction Properties (Ground-Based Study)

    NASA Technical Reports Server (NTRS)

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

    2000-01-01

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

  9. [Was Beethoven's deafness caused by Paget's disease? Report of findings and study of skull fragments of Ludwig van Beethoven].

    PubMed

    Jesserer, H; Bankl, H

    1986-10-01

    Paget's disease of bone (osteitis deformans) has been repeatedly named as a possible cause for Ludwig van Beethoven's deafness. In 1985 a descendent of Franz Romeo Seligmann (a Viennese medical historian who in 1863 had studied Beethoven's mortal remains on the occasion of their relocation) presented to us three bone fragments allegedly from Beethoven's cranium. They represented fragments of the left parietal bone and the occiputum. It was possible to prove nearly with certainty that these bone fragments actually are Beethoven's. They did not show signs of Paget's disease of bone. It must therefore be concluded that Beethoven's deafness was not caused by Paget's osteitis deformans. PMID:3540490

  10. STM-based methodologies for molecular identification and studies of chemical reaction mechanisms

    SciTech Connect

    Hamers, R.J.

    1995-12-01

    The use of STM to study chemical reactions has been hampered by the general inability to identify molecules and molecular fragments on surfaces. By combining the ability of the STM to probe local electronic structure with systematic study as a function of temperature and concepts from coordination chemistry, a priori chemical identification can be achieved, and this information can be used to elucidate new information about the mechanisms of chemical reactions. On silicon, this approach has been applied to study the decomposition of disilane, phosphine, and diborane. On metals, the delocalized bonding necessitates different approaches. We have also applied STM and tunneling spectroscopy to study the adsorption and decomposition of thiophene and related molecules on Ag(111) surfaces at 120 Kelvin. Here, voltage-dependent STM imaging is used to identify the rotational orientation of the molecules and to study polymerization at the molecular level. Methodologies for molecular identification will be discussed, with recent applications on semiconductors and metals.

  11. Isolation of Coxiella burnetii by a centrifugation shell-vial assay from ticks collected in Cyprus: detection by nested polymerase chain reaction (PCR) and by PCR-restriction fragment length polymorphism analyses.

    PubMed

    Spyridaki, Ioanna; Psaroulaki, Anna; Loukaides, Fidias; Antoniou, Maria; Hadjichristodolou, Christos; Tselentis, Yannis

    2002-01-01

    Ticks are the principal vectors and reservoirs of Coxiella burnetii. The identification of isolates is necessary for understanding the clinical diversity of Q fever in different geographic areas. This is the first report of isolation of C. burnetii from ticks by the shell-vial assay and by nested polymerase chain reaction (PCR) assay for the detection of this pathogen in ticks. Of 141 ticks collected in Cyprus (Rhipicephalus sanguineus and Hyalloma spp.), 10% were found to be infected with C. burnetii. Three ticks were positive by hemolymph test, and 11 triturated ticks were positive by nested PCR. Three isolates were obtained by the centrifugation shell-vial technique. Analysis by PCR, then restriction fragment length polymorphism showed that the 3 Cyprus isolates had identical restriction profiles to reference strains Nine Mile and Q212. The methods described are useful in studying the epidemiology and ecology of C. burnetii. PMID:12135275

  12. Anionic derivatives of uracil: fragmentation and reactivity.

    PubMed

    Cole, Callie A; Wang, Zhe-Chen; Snow, Theodore P; Bierbaum, Veronica M

    2014-09-01

    Uracil is an essential biomolecule for terrestrial life, yet its prebiotic formation mechanisms have proven elusive for decades. Meteorites have been shown to contain uracil and the interstellar abundance of aromatic species and nitrogen-containing molecules is well established, providing support for uracil's presence in the interstellar medium (ISM). The ion chemistry of uracil may provide clues to its prebiotic synthesis and role in the origin of life. The fragmentation of biomolecules provides valuable insights into their formation. Previous research focused primarily on the fragmentation and reactivity of cations derived from uracil. In this study, we explore deprotonated uracil-5-carboxylic acid and its anionic fragments to elucidate novel reagents of uracil formation and to characterize the reactivity of uracil's anionic derivatives. The structures of these fragments are identified through theoretical calculations, further fragmentation, experimental acidity bracketing, and reactivity with several detected and potential interstellar species (SO2, OCS, CS2, NO, N2O, CO, NH3, O2, and C2H4). Fragmentation is achieved through collision induced dissociation (CID) in a commercial ion trap mass spectrometer, and all reaction rate constants are measured using a modification of this instrument. Experimental data are supported by theoretical calculations at the B3LYP/6-311++G(d,p) level of theory. Lastly, the astrochemical implications of the observed fragmentation and reaction processes are discussed. PMID:25036757

  13. Experimental Study of Stellar Reactions at CNS

    NASA Astrophysics Data System (ADS)

    Kubono, S.; Yamaguchi, H.; Wakabayashi, Y.; Amadio, G.; Hayakawa, S.; He, J. J.; Saito, A.; Teranishi, T.; Nishimura, S.; Fukunishi, N.; Iwasa, N.; Inafuku, K.; Kato, S.; Tanaka, M. H.; Fuchi, Y.; Moon, J. Y.; Kwon, K.; Lee, C. S.; Khiem, Le Hong; Chen, A.; Pearson, J.

    2006-11-01

    After a brief review on low-energy RI beam production technology, nuclear astrophysics programs at CNS are presented including a scope of the field in the Wako campus. The CRIB project involves a total development of the whole facility to maximize the low-energy RI beam intensities, including the ion source, the AVF cyclotron and the low-energy RI beam separator CRIB, Some recent nuclear astrophysics experiments performed with the RI beams were discussed, including the measurement of the 14O(α,p)17F reaction, the key stellar reaction for the onset of the high-temperature rp-process. The first experiment performed with a newly installed high-resolution magnetic spectrograph PA of CNS was also presented. Collaboration possibilities for nuclear astrophysics in the RIKEN campus are also touched.

  14. Experimental Study of Stellar Reactions at CNS

    SciTech Connect

    Kubono, S.; Yamaguchi, H.; Wakabayashi, Y.; Amadio, G.; Hayakawa, S.; He, J. J.; Saito, A.; Teranishi, T.; Nishimura, S.; Fukunishi, N.; Iwasa, N.; Inafuku, K.; Kato, S.; Tanaka, M. H.; Fuchi, Y.; Moon, J. Y.; Kwon, K.; Lee, C. S.; Khiem, Le Hong; Chen, A.

    2006-11-02

    After a brief review on low-energy RI beam production technology, nuclear astrophysics programs at CNS are presented including a scope of the field in the Wako campus. The CRIB project involves a total development of the whole facility to maximize the low-energy RI beam intensities, including the ion source, the AVF cyclotron and the low-energy RI beam separator CRIB, Some recent nuclear astrophysics experiments performed with the RI beams were discussed, including the measurement of the 14O({alpha},p)17F reaction, the key stellar reaction for the onset of the high-temperature rp-process. The first experiment performed with a newly installed high-resolution magnetic spectrograph PA of CNS was also presented. Collaboration possibilities for nuclear astrophysics in the RIKEN campus are also touched.

  15. A Holistic Multi Evidence Approach to Study the Fragmentation Behaviour of Crystalline Mannitol

    PubMed Central

    Koner, Jasdip S.; Rajabi-Siahboomi, Ali; Bowen, James; Perrie, Yvonne; Kirby, Daniel; Mohammed, Afzal R.

    2015-01-01

    Mannitol is an essential excipient employed in orally disintegrating tablets due to its high palatability. However its fundamental disadvantage is its fragmentation during direct compression, producing mechanically weak tablets. The primary aim of this study was to assess the fracture behaviour of crystalline mannitol in relation to the energy input during direct compression, utilising ball milling as the method of energy input, whilst assessing tablet characteristics of post-milled powders. Results indicated that crystalline mannitol fractured at the hydrophilic (011) plane, as observed through SEM, alongside a reduction in dispersive surface energy. Disintegration times of post-milled tablets were reduced due to the exposure of the hydrophilic plane, whilst more robust tablets were produced. This was shown through higher tablet hardness and increased plastic deformation profiles of the post-milled powders, as observed with a lower yield pressure through an out-of-die Heckel analysis. Evaluation of crystal state using x-ray diffraction/differential scanning calorimetry showed that mannitol predominantly retained the β-polymorph; however x-ray diffraction provided a novel method to calculate energy input into the powders during ball milling. It can be concluded that particle size reduction is a pragmatic strategy to overcome the current limitation of mannitol fragmentation and provide improvements in tablet properties. PMID:26553127

  16. A Holistic Multi Evidence Approach to Study the Fragmentation Behaviour of Crystalline Mannitol.

    PubMed

    Koner, Jasdip S; Rajabi-Siahboomi, Ali; Bowen, James; Perrie, Yvonne; Kirby, Daniel; Mohammed, Afzal R

    2015-01-01

    Mannitol is an essential excipient employed in orally disintegrating tablets due to its high palatability. However its fundamental disadvantage is its fragmentation during direct compression, producing mechanically weak tablets. The primary aim of this study was to assess the fracture behaviour of crystalline mannitol in relation to the energy input during direct compression, utilising ball milling as the method of energy input, whilst assessing tablet characteristics of post-milled powders. Results indicated that crystalline mannitol fractured at the hydrophilic (011) plane, as observed through SEM, alongside a reduction in dispersive surface energy. Disintegration times of post-milled tablets were reduced due to the exposure of the hydrophilic plane, whilst more robust tablets were produced. This was shown through higher tablet hardness and increased plastic deformation profiles of the post-milled powders, as observed with a lower yield pressure through an out-of-die Heckel analysis. Evaluation of crystal state using x-ray diffraction/differential scanning calorimetry showed that mannitol predominantly retained the β-polymorph; however x-ray diffraction provided a novel method to calculate energy input into the powders during ball milling. It can be concluded that particle size reduction is a pragmatic strategy to overcome the current limitation of mannitol fragmentation and provide improvements in tablet properties. PMID:26553127

  17. A Holistic Multi Evidence Approach to Study the Fragmentation Behaviour of Crystalline Mannitol

    NASA Astrophysics Data System (ADS)

    Koner, Jasdip S.; Rajabi-Siahboomi, Ali; Bowen, James; Perrie, Yvonne; Kirby, Daniel; Mohammed, Afzal R.

    2015-11-01

    Mannitol is an essential excipient employed in orally disintegrating tablets due to its high palatability. However its fundamental disadvantage is its fragmentation during direct compression, producing mechanically weak tablets. The primary aim of this study was to assess the fracture behaviour of crystalline mannitol in relation to the energy input during direct compression, utilising ball milling as the method of energy input, whilst assessing tablet characteristics of post-milled powders. Results indicated that crystalline mannitol fractured at the hydrophilic (011) plane, as observed through SEM, alongside a reduction in dispersive surface energy. Disintegration times of post-milled tablets were reduced due to the exposure of the hydrophilic plane, whilst more robust tablets were produced. This was shown through higher tablet hardness and increased plastic deformation profiles of the post-milled powders, as observed with a lower yield pressure through an out-of-die Heckel analysis. Evaluation of crystal state using x-ray diffraction/differential scanning calorimetry showed that mannitol predominantly retained the β-polymorph however x-ray diffraction provided a novel method to calculate energy input into the powders during ball milling. It can be concluded that particle size reduction is a pragmatic strategy to overcome the current limitation of mannitol fragmentation and provide improvements in tablet properties.

  18. Theoretical study of chemical reactions in solution

    SciTech Connect

    Yokogawa, D.

    2015-12-31

    Quantum chemical calculations in solution are becoming more and more important in chemistry. Reference interaction site model self-consistent field (RISM-SCF) is one of the powerful approaches to perform quantum chemical calculations in solution. In this work, we developed a new generation of RISM-SCF, where a robust fitting method was newly introduced. We applied the new method to tautomerization reaction of cytosine in aqueous phase. Our calculation reproduced experimentally obtained relative stabilities and relative free energies correctly.

  19. [Preparation of Transmembrane Fragments Growth Hormone Receptor GHR in a Cell-Free Expression System for Structural Studies].

    PubMed

    Bocharova, O V; Kuzmichev, P K; Urban, A S; Goncharuk, S A; Bocharov, E V; Arsenyev, A S

    2015-01-01

    Growth hormone somatotropin and its membrane receptor GHR, belonging to a superfamily of the type I receptors possessing tyrosine kinase activity, are involved in the intercellular signal transduction cascade and regulate a number of important physiological and pathological processes in humans. Binding with somatotropin triggers a transition of GHR between two alternative dimer states, resulting in an allosteric activation of JAK2 tyrosine kinase in the cell cytoplasm. Transmembrane domain of GHR directly involved in this complex conformational transition. It has presumably two dimerization interfaces corresponding to the "unliganded" and the active state of GHR. In order to study the molecular basis of biochemical signal transduction mechanism across the cell membrane, we have developed an efficient cell-free production system of a TM fragment of GHR, which contains its TM domain flanked by functionally important juxtamembrane regions (GHRtm residues 254-298). The developed system allows to obtain -1 mg per 1 ml of reaction mixture of 13C- and 15N-isotope-labeled protein for structural and dynamic studies of the GHR TM domain dimerization in the membrane-mimicking medium by high-resolution heteronuclear NMR spectroscopy. PMID:27125024

  20. Model studies on the first enzyme-catalyzed Ugi reaction.

    PubMed

    Kłossowski, Szymon; Wiraszka, Barbara; Berłożecki, Stanisław; Ostaszewski, Ryszard

    2013-02-01

    Multicomponent reactions are powerful tools for organic chemistry, and among them, the Ugi reaction provides remarkable improvement in many fields of organic chemistry such us combinatorial chemistry, medicinal chemistry, and peptide chemistry. A new, enzyme-catalyzed example of the Ugi three-component reaction is presented. The studies include the selection of an enzyme as well as determination of the scope and limitations of the newly described reaction. The presented method combines the enzyme promiscuity and multicomponent reaction advantages in the first one-pot formation of dipeptide 1. PMID:23343100

  1. COLLISIONS OF POROUS CLUSTERS: A GRANULAR-MECHANICS STUDY OF COMPACTION AND FRAGMENTATION

    SciTech Connect

    Ringl, Christian; Urbassek, Herbert M.; Bringa, Eduardo M.; Bertoldi, Dalia S.

    2012-06-20

    The collision of granular clusters can result in a number of complex outcomes from sticking to partial or full destruction of the clusters. These outcomes will contribute to the size distribution of dust aggregates, changing their optical properties and their capability to contribute to solid-state astrochemistry. We study the collision of two clusters of equal size, formed by approximately 7000 sub-{mu}m grains each, with a mass and velocity range that is difficult to sample in experiments. We obtain the outcome of the collision: compaction, fragmentation, and size distribution of ejecta, and type of outcome, as a function of velocity and impact parameter. We compare our results to other models and simulations, at both atomistic and continuum scales, and find some agreement together with some discrepancies. We also study collision-induced compaction as a function of cluster size, up to sizes of N = 250, 000, and find that for large clusters considerably higher compactions result at higher velocities.

  2. Mass-spectrometric study of the electron-impact-induced fragmentation of the tryptophan molecule

    NASA Astrophysics Data System (ADS)

    Vukstich, V. S.; Romanova, L. G.; Megela, I. G.; Snegursky, A. V.

    2014-03-01

    The formation of ion products upon single and dissociative electron-impact ionization of the tryptophan (C11H12N2O2) molecule has been studied using mass-spectrometric techniques. The mass-spectrum of tryptophan has been obtained and interpreted, and the near-threshold ion yields from the initial molecule and the main products of its electron-impact ionization have been measured. The absolute values of ionization energy of the initial tryptophan molecule and the appearance potentials of its main fragment ions have been determined. The influence of exposure to a high-energy beam of accelerated electrons on the resulting mass spectra of initial molecule has been studied.

  3. Fragmentation study and analysis of benzoylurea insecticides and their analogs by liquid chromatography-electrospray ionization-mass spectrometry.

    PubMed

    Yang, Xia; Xia, Yan; Liao, Xun; Zuo, Yumin; Liao, Yiping; Liu, Huwei

    2006-08-15

    Two insecticides, diflubenzuron and hexaflumuron, and their analogs have been separated by liquid chromatography (LC) and their fragmentation mechanisms were studied by electrospray ionization-ion trap mass spectrometry (ESI-MS(n)) in both positive- and negative-ion modes. Sequential product ion fragmentation experiments were performed in order to explain the degradation pathways and identify their predominant fragment ions. It was indicated that the characteristic fragmentations are the loss of neutral molecules such as HF, HNO(2), and HCl to form stable ring structure or the cleavage of the acyl amine to form conjugated structure. Furthermore, the separation and determination of two benzoylurea (BU) insecticides and their analogs in the water samples from Weiming Lake have been described by LC-ESI-MS in negative mode. By the use of deprotonated molecule for quantitative analysis at low capillary exit voltage, low detection limits, good linearity and reproducibility for standard solutions were presented. PMID:18970732

  4. Oxygen radical-mediated oxidation reactions of an alanine peptide motif - density functional theory and transition state theory study

    PubMed Central

    2012-01-01

    Background Oxygen-base (O-base) oxidation in protein backbone is important in the protein backbone fragmentation due to the attack from reactive oxygen species (ROS). In this study, an alanine peptide was used model system to investigate this O-base oxidation by employing density functional theory (DFT) calculations combining with continuum solvent model. Detailed reaction steps were analyzed along with their reaction rate constants. Results Most of the O-base oxidation reactions for this alanine peptide are exothermic except for the bond-breakage of the Cα-N bond to form hydroperoxy alanine radical. Among the reactions investigated in this study, the activated energy of OH α-H abstraction is the lowest one, while the generation of alkylperoxy peptide radical must overcome the highest energy barrier. The aqueous situation facilitates the oxidation reactions to generate hydroxyl alanine peptide derivatives except for the fragmentations of alkoxyl alanine peptide radical. The Cα-Cβ bond of the alkoxyl alanine peptide radical is more labile than the peptide bond. Conclusion the rate-determining step of oxidation in protein backbone is the generation of hydroperoxy peptide radical via the reaction of alkylperoxy peptide radical with HO2. The stabilities of alkylperoxy peptide radical and complex of alkylperoxy peptide radical with HO2 are crucial in this O-base oxidation reaction. PMID:22524792

  5. Screening for JH1 genetic defect carriers in Jersey cattle by a polymerase chain reaction and restriction fragment length polymorphism assay.

    PubMed

    Zhang, Yi; Guo, Gang; Huang, Hetian; Lu, Lu; Wang, Lijie; Fang, Lingzhao; Liu, Lin; Wang, Yachun; Zhang, Shengli

    2015-09-01

    An autosomal recessive genetic defect termed JH1 has been associated with early embryonic loss in the Jersey cattle breed. The genetic basis has been identified as a cytosine to thymine mutation in the CWC15 gene that changes an amino acid from arginine to a stop code. To screen for JH1 carriers in an imported Jersey population in China, a method based on a polymerase chain reaction amplification followed by a restriction fragment length polymorphism assay (PCR-RFLP) was developed for the accurate diagnosis of the JH1 allele. A total of 449 randomly chosen cows were examined with the PCR-RFLP assay, and 31 were identified as JH1 carriers, corresponding to a carrier frequency of 6.9%. The PCR-RFLP method was validated by DNA sequencing of 8 positive and 13 negative samples, with all 21 samples giving the expected DNA sequence. In addition, 3 negative and 3 positive samples were confirmed by a commercial microarray-based single nucleotide polymorphism assay. Finally, samples from 9 bulls in the United States of known status were correctly identified as carriers (5 bulls) or noncarriers (4 bulls). As the JH1 defect has most likely spread worldwide, implementing routine screening is necessary to avoid the risk of carrier-to-carrier matings and to gradually eradicate the deleterious gene. PMID:26179100

  6. Rapid diagnosis and genotyping of Leishmania isolates from cutaneous and visceral leishmaniasis by microcapillary cultivation and polymerase chain reaction-restriction fragment length polymorphism of miniexon region.

    PubMed

    Serin, Mehmet S; Daglioglu, Kenan; Bagirova, Melahat; Allahverdiyev, Adil; Uzun, Soner; Vural, Zeynep; Kayar, Begum; Tezcan, Seda; Yetkin, Mesut; Aslan, Gonul; Emekdas, Gurol; Koksal, Fatih

    2005-11-01

    We have performed a combination of microcapillary cultivation method and restriction fragment length polymorphism (RFLP) analysis of amplified products by 1 single PCR of miniexon region of Leishmania for molecular diagnosis and genotyping of different Leishmania species isolated from cutaneous leishmaniasis (CL) and visceral leishmaniasis. We have analyzed 10 microcapillary cultivated isolates from cutaneous cases and 5 microcapillary cultivated isolates from visceral cases (totally 15) by polymerase chain reaction-RFLP (PCR-RFLP). Of 10 isolates, 3 (30%) were genotyped as Leishmania infantum and 7 (70%) of 10 isolates were genotyped as Leishmania tropica from the microcapillary cultivated isolates of cutaneous cases. On the other hand, all 5 isolates (100%) were genotyped as L. infantum from microcapillary cultivated visceral cases. Our most interesting finding is the presence of 3 L. infantum isolates in CL cases without kala-azar history. Therefore, we suggest that further investigations must be done about this subject. On the other hand, we suggest the combination of microcapillary culture method and PCR-RFLP of miniexon region of leishmaniae can be used in routine laboratory experimentation because of their simple, cheap, and rapid benefits (within a week), whereas other different approaches offer a multitude of valid taxonomic characters for species identification. PMID:16249065

  7. Neutron-induced reaction studies using stored ions

    NASA Astrophysics Data System (ADS)

    Glorius, Jan; Litvinov, Yuri A.; Reifarth, René

    2015-11-01

    Storage rings provide unique possibilities for investigations of nuclear reactions. Radioactive ions can be stored if the ring is connected to an appropriate facility and reaction studies are feasible at low beam intensities because of the recycling of beam particles. Using gas jet or droplet targets, charged particle-induced reactions on short-lived isotopes can be studied in inverse kinematics. In such a system a high-flux reactor could serve as a neutron target extending the experimental spectrum to neutron-induced reactions. Those could be studied over a wide energy range covering the research fields of nuclear astrophysics and reactor safety, transmutation of nuclear waste and fusion.

  8. Study of reaction of sulfur halides with unsaturated compounds. reaction of sulfur monochloride with adamantylideneadamantane

    SciTech Connect

    Tolstikov, G.A.; Belogaeva, T.A.; Lerman, B.M.

    1986-09-20

    In a continuation of the study of the reaction of olefin (I) with sulfur halides, the authors investigate its reaction with sulfur monochloride. It is shown that the reaction of (I) with S/sub 2/C1/sub 2/ proceeds readily in CH/sub 2/C1/sub 2/, CHC1/sub 3/, CC1/sub 4/, leading to compounds of the same structure as in the reaction of (I) with SC1/sub 2/. The preferential formation of the epithio compound (II) and chloroepithio compound (III) takes place at near-to-equimolar ratio of the reagents and 100-fold excess of the solvent, while the reaction of chlorine-substituted adamantylideneadamantanes proceeds at an excess of the reagent. In contrast to SC1/sub 2/, sulfur monochloride does not react with (I) in hexane.

  9. Identification and mass spectrometric sequence studies of fragments of l-asparaginase produced during freeze/thaw cycling.

    PubMed

    Jameel, F; Mauri, F; Bogner, R

    1998-01-01

    L-Asparaginase isolated from Er. chrysanthemi was found to lose activity upon exposure to consecutive freeze/thaw cycles. The cause(s) for this loss of activity were investigated using multiple techniques. SEC using UV, RI and light scattering detectors and SDS-PAGE indicated that the l-asparaginase molecule fragments upon exposure to repeated freezing and thawing cycles. Following up on this information, mass spectrometry was used to identify the fragments as small peptides of molecular weight 615 Da, 1424 Da and 1665 Da. Automated Edman sequencing of the frozen and thawed mixture confirmed the presence of fragments and contributed some sequence information. Mass spectral data and sequence studies of these fragments in conjunction with the known sequence of the molecule placed all the fragments within the last 28 C-terminal amino acids. A study of this region using the published 3 dimensional x-ray crystallographic structure of l-asparaginase revealed that the C-terminal region is exposed and can interact with water. The IBI MacVector program "Protein Tool Box" predicted that this region is hydrophilic, has a high surface probability and a strong tendency to interact with water. Both tendencies suggest a potential for bond stress during freeze/thaw cycling. This region is not involved at the catalytic core of the enzyme, but fragmentation in this area may result in unfolding and denaturation of the monomer followed by subsequent aggregation into large, insoluble entities and the loss of enzymatic activity. PMID:9691674

  10. Study of an anaphylactoid reaction to acetaminophen.

    PubMed

    Liao, Chien-Ming; Chen, Wu-Charng; Lin, Ching-Yuang

    2002-01-01

    Generalized itching, urticaria and anaphylactic shock developed in a 9-year-old girl on two separate occasions after she ingested acetaminophen. She was admitted to our hospital for observation during oral challenge. Total eosinophil counts, total serum IgE, IgA, IgG, IgM, C3, and C4, specific IgE antibodies to six common allergens, and skin prick tests to purified acetaminophen and acetylsalicylic acid (aspirin) were unremarkable. No reaction occurred on open challenge with acetylsalicylic acid and mefenamic acid. However, urticaria and itching sensation occurred 45 min after ingesting 50 mg of purified acetaminophen. Dizziness, shivering, tachycardia and fainting also developed later. These symptoms resolved after treatment with a diphenhydramine injection and intravenous infusion of normal saline. There was a marked increase in the blood histamine level after challenge. In vitro histamine release before oral challenge was also abnormally as high as 50%. In summary, she had an immediate allergic reaction to acetaminophen but was tolerant to acetylsalicylic acid. PMID:12148965

  11. Development of Diagnostic Fragment Ion Library for Glycated Peptides of Human Serum Albumin: Targeted Quantification in Prediabetic, Diabetic, and Microalbuminuria Plasma by Parallel Reaction Monitoring, SWATH, and MSE.

    PubMed

    Korwar, Arvind M; Vannuruswamy, Garikapati; Jagadeeshaprasad, Mashanipalya G; Jayaramaiah, Ramesha H; Bhat, Shweta; Regin, Bhaskaran S; Ramaswamy, Sureshkumar; Giri, Ashok P; Mohan, Viswanathan; Balasubramanyam, Muthuswamy; Kulkarni, Mahesh J

    2015-08-01

    Human serum albumin is one of the most abundant plasma proteins that readily undergoes glycation, thus glycated albumin has been suggested as an additional marker for monitoring glycemic status. Hitherto, only Amadori-modified peptides of albumin were quantified. In this study, we report the construction of fragment ion library for Amadori-modified lysine (AML), N(ε)-(carboxymethyl)lysine (CML)-, and N(ε)-(carboxyethyl)lysine (CEL)-modified peptides of the corresponding synthetically modified albumin using high resolution accurate mass spectrometry (HR/AM). The glycated peptides were manually inspected and validated for their modification. Further, the fragment ion library was used for quantification of glycated peptides of albumin in the context of diabetes. Targeted Sequential Window Acquisition of all THeoretical Mass Spectra (SWATH) analysis in pooled plasma samples of control, prediabetes, diabetes, and microalbuminuria, has led to identification and quantification of 13 glycated peptides comprised of four AML, seven CML, and two CEL modifications, representing nine lysine sites of albumin. Five lysine sites namely K549, K438, K490, K88, and K375, were observed to be highly sensitive for glycation modification as their respective m/z showed maximum fold change and had both AML and CML modifications. Thus, peptides involving these lysine sites could be potential novel markers to assess the degree of glycation in diabetes. PMID:26023067

  12. Involvement and fragmentation: a study of parental care of hospitalized children in Brazil.

    PubMed

    de Lima, R A; Rocha, S M; Scochi, C G; Callery, P

    2001-01-01

    Parental involvement in the care of children who are hospitalized has been encouraged by the government in Brazil, as it has in the United Kingdom (UK). In this paper, key aspects of the UK, North American, and Latin American literature concerning parental participation are discussed, and implications for hospital care of children in Brazil are considered. A study of the division of work between nurses and the mothers (or other relatives) of 10 children hospitalized with chronic illnesses is reported. Data were collected by participant observation of child care in a Brazilian hospital. The results highlight some of the difficulties that arise in the integration of the work of mothers and nurses in hospital care of children and the fragmentation of care into "manual" and "intellectual" work. The results are considered within the theoretical framework of the model of technologic organization of work (Gonçalves, 1979, 1994). Implications for the organization of child care in the hospital are discussed. PMID:12024527

  13. A lower fragmentation mass scale for clumps in high redshift galaxies: a systematic numerical study

    NASA Astrophysics Data System (ADS)

    Tamburello, Valentina; Mayer, Lucio; Shen, Sijing; Wadsley, James

    2015-08-01

    We perform a systematic study of the effect of sub-grid physics, resolution and structural parameters on the fragmentation of gas-rich galaxy discs into massive star forming clumps due to gravitational instability. We use the state-of-the-art zoom-in cosmological hydrodynamical simulation ARGO (Fiacconi et al. 2015) to set up the initial conditions of our models, and then carry out 26 high resolution controlled simulations of high-z galaxies using the GASOLINE2 code, which includes a modern, numerically robust SPH implementation.We find that when blast-wave feedback is included, the formation of long-lived, gravitationally bound clumps requires disc gas fractions of at least 50% and massive discs, which should have Vmax > 200 km/s at z ˜ 2, more massive than the typical galaxies expected at those redshifts.Less than 50 Myr after formation, clumps have stellar masses in the range 4 × 106 - 5 × 107 M⊙.Formation of clumps with mass exceeding ˜108 M⊙ is a rare occurrence, since it requires mergers between multiple massive clumps, as we verified by tracing back in time the particles belonging to such clumps. Such mergers happen after a few orbital times (˜200-300 Myr), but normally clumps migrate inward and are tidally disrupted on shorter timescales.Clump sizes are in the range 100-500 pc. We argue that giant clumps identified in observations (˜109 M⊙ and 1 kpc in size) might either have a different origin, such as minor mergers and clumpy gas accretion, or their sizes and masses may be overestimated due to resolution issues.Using an analytical model, already developed to explain the fragmentation scale in gravitationally unstable 3D protoplanetary discs, we can predict fairly accurately the characteristic gaseous masses of clumps soon after fragmentation, when standard Toome analysis becomes invalid.Due to their modest size, clumps have little effect on bulge growth as they migrate to the center. In our unstable discs a small bulge can form irrespective of

  14. [Reaction mechanism studies of heavy ion induced nuclear reactions]. Annual progress report, [January 1992--February 1993

    SciTech Connect

    Mignerey, A.C.

    1993-02-01

    Completed work is summarized on the topics of excitation energy division in deep-inelastic reactions and the onset of multifragmentation in La-induced reactions at E/A = 45 MeV. Magnetic fields are being calculated for the PHOBOS detector system, a two-arm multiparticle spectrometer for studying low-transverse-momentum particles produced at the Relativistic Heavy Ion Collider. The Maryland Forward Array is being developed for detection of the reaction products from very peripheral collisions; it consists of two individual units of detectors: the annular silicon detector in front and the plastic phoswich detector at back.

  15. A DNA Metabarcoding Study of a Primate Dietary Diversity and Plasticity across Its Entire Fragmented Range

    PubMed Central

    Quéméré, Erwan; Hibert, Fabrice; Miquel, Christian; Lhuillier, Emeline; Rasolondraibe, Emmanuel; Champeau, Julie; Rabarivola, Clément; Nusbaumer, Louis; Chatelain, Cyrille; Gautier, Laurent; Ranirison, Patrick; Crouau-Roy, Brigitte; Taberlet, Pierre; Chikhi, Lounès

    2013-01-01

    In tropical regions, most primary ecosystems have been replaced by mosaic landscapes in which species must cope with a large shift in the distribution of their habitat and associated food resources. Primates are particularly vulnerable to habitat modifications. Most species persist in small fragments surrounded by complex human-mediated matrices whose structure and connectivity may strongly influence their dispersal and feeding behavior. Behavioral plasticity appears to be a crucial parameter governing the ability of organisms to exploit the resources offered by new matrix habitats and thus to persist in fragmented habitats. In this study, we were interested in the dietary plasticity of the golden-crowned sifaka (Propithecus tattersalli), an endangered species of lemur, found only in the Daraina region in north-eastern Madagascar. We used a DNA-based approach combining the barcoding concept and Illumina next-generation sequencing to (i) describe the species diet across its entire range and (ii) evaluate the influence of landscape heterogeneity on diet diversity and composition. Faeces from 96 individuals were sampled across the entire species range and their contents were analyzed using the trnL metabarcoding approach. In parallel, we built a large DNA reference database based on a checklist of the plant species of the Daraina region. Our results suggest that golden-crowned sifakas exhibit remarkable dietary diversity with at least 130 plant species belonging to 80 genera and 49 different families. We highlighted an influence of both habitat type and openness on diet composition suggesting a high flexibility of foraging strategies. Moreover, we observed the presence of numerous cultivated and naturalized plants in the faeces of groups living in forest edge areas. Overall, our findings support our initial expectation that P. tattersalli is able to cope with the current level of alteration of the landscape and confirm our previous results on the distribution and the

  16. A Method for Studying the Temperature Dependence of Dynamic Fracture and Fragmentation.

    PubMed

    Jones, David R; Chapman, David J; Eakins, Daniel E

    2015-01-01

    The dynamic fracture of a body is a late-stage phenomenon typically studied under simplified conditions, in which a sample is deformed under uniform stress and strain rate. This can be produced by evenly loading the inner surface of a cylinder. Due to the axial symmetry, as the cylinder expands the wall is placed into a tensile hoop stress that is uniform around the circumference. While there are various techniques to generate this expansion such as explosives, electromagnetic drive, and existing gas gun techniques they are all limited in the fact that the sample cylinder must be at room temperature. We present a new method using a gas gun that facilitates experiments on cylinders from 150 K to 800 K with a consistent, repeatable loading. These highly diagnosed experiments are used to examine the effect of temperature on the fracture mechanisms responsible for failure, and their resulting influence on fragmentation statistics. The experimental geometry employs a steel ogive located inside the target cylinder, with the tip located about halfway in. A single stage light gas gun is then used to launch a polycarbonate projectile into the cylinder at 1,000 m/sec(-1). The projectile impacts and flows around the rigid ogive, driving the sample cylinder from the inside. The use of a non-deforming ogive insert allows us to install temperature control hardware inside the rear of the cylinder. Liquid nitrogen (LN₂) is used for cooling and a resistive high current load for heating. Multiple channels of upshifted photon Doppler velocimetry (PDV) track the expansion velocity along the cylinder enabling direct comparison to computer simulations, while High speed imaging is used to measure the strain to failure. The recovered cylinder fragments are also subject to optical and electron microscopy to ascertain the failure mechanism. PMID:26168019

  17. Electron Capture Dissociation Studies of the Fragmentation Patterns of Doubly Protonated and Mixed Protonated-Sodiated Peptoids

    NASA Astrophysics Data System (ADS)

    Bogdanov, Bogdan; Zhao, Xiaoning; Robinson, David B.; Ren, Jianhua

    2014-07-01

    The fragmentation patterns of a group of doubly protonated ([P + 2H]2+) and mixed protonated-sodiated ([P + H + Na]2+) peptide-mimicking oligomers, known as peptoids, have been studied using electron capturing dissociation (ECD) tandem mass spectrometry techniques. For all the peptoids studied, the primary backbone fragmentation occurred at the N-Cα bonds. The N-terminal fragment ions, the C-ions (protonated) and the C'-ions (sodiated) were observed universally for all the peptoids regardless of the types of charge carrier. The C-terminal ions varied depending on the type of charge carrier. The doubly protonated peptoids with at least one basic residue located at a position other than the N-terminus fragmented by producing the Z•-series of ions. In addition, most doubly protonated peptoids also produced the Y-series of ions with notable abundances. The mixed protonated-sodiated peptoids fragmented by yielding the Z•'-series of ions in addition to the C'-series. Chelation between the sodium cation and the amide groups of the peptoid chain might be an important factor that could stabilize both the N-terminal and the C-terminal fragment ions. Regardless of the types of the charge carrier, one notable fragmentation for all the peptoids was the elimination of a benzylic radical from the odd-electron positive ions of the protonated peptoids ([P + 2H]•+) and the sodiated peptoids ([P + H + Na]•+). The study showed potential utility of using the ECD technique for sequencing of peptoid libraries generated by combinatorial chemistry.

  18. Matrix isolation as a tool for studying interstellar chemical reactions

    NASA Technical Reports Server (NTRS)

    Ball, David W.; Ortman, Bryan J.; Hauge, Robert H.; Margrave, John L.

    1989-01-01

    Since the identification of the OH radical as an interstellar species, over 50 molecular species were identified as interstellar denizens. While identification of new species appears straightforward, an explanation for their mechanisms of formation is not. Most astronomers concede that large bodies like interstellar dust grains are necessary for adsorption of molecules and their energies of reactions, but many of the mechanistic steps are unknown and speculative. It is proposed that data from matrix isolation experiments involving the reactions of refractory materials (especially C, Si, and Fe atoms and clusters) with small molecules (mainly H2, H2O, CO, CO2) are particularly applicable to explaining mechanistic details of likely interstellar chemical reactions. In many cases, matrix isolation techniques are the sole method of studying such reactions; also in many cases, complexations and bond rearrangements yield molecules never before observed. The study of these reactions thus provides a logical basis for the mechanisms of interstellar reactions. A list of reactions is presented that would simulate interstellar chemical reactions. These reactions were studied using FTIR-matrix isolation techniques.

  19. Repair of avascular meniscal injuries using juvenile meniscal fragments: an in vitro organ culture study.

    PubMed

    Dai, Zhu; Li, Kanghua; Chen, Zhiwei; Liao, Ying; Yang, Lezhong; Liu, Chunlei; Ding, Wenjun

    2013-10-01

    We investigated whether the implantation of juvenile allograft and minced meniscal fragments could improve the healing of avascular meniscal injuries, which cannot heal spontaneously. Concentric cylindrical explants were excised from the inner two-thirds of swine medial menisci. The inner cylinder consisted of a "sandwich" structure, with minced juvenile meniscal fragments, juvenile meniscal columns, minced mature meniscal fragments, or mature meniscal columns implanted in the middle. The explants were cultured in vitro for 2, 4, or 6 weeks. Interfacial meniscal repair was assessed by histology, immunohistochemistry, biomechanical testing, and confocal laser scanning microscopy. Histology and confocal microscopy results revealed that tissue repair and cell accumulation at the interface were best at all time points in the juvenile meniscal fragments group, followed by the juvenile columns, minced mature fragments, and mature columns groups, respectively. At 6 weeks, the implantation of juvenile allograft and minced meniscal fragments increased the shear strength, peak force, and energy to failure in the peripheral interface. Picosirius red/polarized light microscopy and immunohistochemistry results showed concurrent expression of type I and II collagen in the interfacial repair tissue. In conclusion, implantation of juvenile allograft and minced meniscal fragments could increase the healing of avascular meniscal injury in vitro. PMID:23813750

  20. Universality of fragment shapes.

    PubMed

    Domokos, Gábor; Kun, Ferenc; Sipos, András Árpád; Szabó, Tímea

    2015-01-01

    The shape of fragments generated by the breakup of solids is central to a wide variety of problems ranging from the geomorphic evolution of boulders to the accumulation of space debris orbiting Earth. Although the statistics of the mass of fragments has been found to show a universal scaling behavior, the comprehensive characterization of fragment shapes still remained a fundamental challenge. We performed a thorough experimental study of the problem fragmenting various types of materials by slowly proceeding weathering and by rapid breakup due to explosion and hammering. We demonstrate that the shape of fragments obeys an astonishing universality having the same generic evolution with the fragment size irrespective of materials details and loading conditions. There exists a cutoff size below which fragments have an isotropic shape, however, as the size increases an exponential convergence is obtained to a unique elongated form. We show that a discrete stochastic model of fragmentation reproduces both the size and shape of fragments tuning only a single parameter which strengthens the general validity of the scaling laws. The dependence of the probability of the crack plan orientation on the linear extension of fragments proved to be essential for the shape selection mechanism. PMID:25772300

  1. Universality of fragment shapes

    PubMed Central

    Domokos, Gábor; Kun, Ferenc; Sipos, András Árpád; Szabó, Tímea

    2015-01-01

    The shape of fragments generated by the breakup of solids is central to a wide variety of problems ranging from the geomorphic evolution of boulders to the accumulation of space debris orbiting Earth. Although the statistics of the mass of fragments has been found to show a universal scaling behavior, the comprehensive characterization of fragment shapes still remained a fundamental challenge. We performed a thorough experimental study of the problem fragmenting various types of materials by slowly proceeding weathering and by rapid breakup due to explosion and hammering. We demonstrate that the shape of fragments obeys an astonishing universality having the same generic evolution with the fragment size irrespective of materials details and loading conditions. There exists a cutoff size below which fragments have an isotropic shape, however, as the size increases an exponential convergence is obtained to a unique elongated form. We show that a discrete stochastic model of fragmentation reproduces both the size and shape of fragments tuning only a single parameter which strengthens the general validity of the scaling laws. The dependence of the probability of the crack plan orientation on the linear extension of fragments proved to be essential for the shape selection mechanism. PMID:25772300

  2. Universality of fragment shapes

    NASA Astrophysics Data System (ADS)

    Domokos, Gábor; Kun, Ferenc; Sipos, András Árpád; Szabó, Tímea

    2015-03-01

    The shape of fragments generated by the breakup of solids is central to a wide variety of problems ranging from the geomorphic evolution of boulders to the accumulation of space debris orbiting Earth. Although the statistics of the mass of fragments has been found to show a universal scaling behavior, the comprehensive characterization of fragment shapes still remained a fundamental challenge. We performed a thorough experimental study of the problem fragmenting various types of materials by slowly proceeding weathering and by rapid breakup due to explosion and hammering. We demonstrate that the shape of fragments obeys an astonishing universality having the same generic evolution with the fragment size irrespective of materials details and loading conditions. There exists a cutoff size below which fragments have an isotropic shape, however, as the size increases an exponential convergence is obtained to a unique elongated form. We show that a discrete stochastic model of fragmentation reproduces both the size and shape of fragments tuning only a single parameter which strengthens the general validity of the scaling laws. The dependence of the probability of the crack plan orientation on the linear extension of fragments proved to be essential for the shape selection mechanism.

  3. Fundamental studies of retrograde reactions in direct liquefaction

    SciTech Connect

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

    1989-01-01

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

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

    SciTech Connect

    Macdonald, R.G.

    1993-12-01

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

  5. Photodissociation at various wavelengths: fragmentation studies of oxazine 170 using nanosecond laser pulses.

    PubMed

    Gernert, Claus; Grotemeyer, Jürgen

    2015-01-01

    The fragmentation of oxazine 170, a rhodamine-type dye, has been investigated by means of collisions and photodissociation with visible and ultraviolet radiation in a Fourier transform ion cyclotron resonance mass spectrometer. Because of an improved experimental setup, the photodissociation processes of stored ions are measured with high intensity with respect to the absorbed photons. By isotope labelling and quantum chemical calculations, the various fragmentation mechanisms are investigated. It is shown that the most important intermediate ion structure leading to the various ionic products is an even-electron azarine cation. Several new fragmentation mechanisms have been unveiled for the first time. PMID:26307739

  6. APPLICATION OF POLYMERASE CHAIN REACTION (PCR) AND PCR BASED RESTRICTION FRAGMENT LENGTH POLYMORPHISM FOR DETECTION AND IDENTIFICATION OF DERMATOPHYTES FROM DERMATOLOGICAL SPECIMENS

    PubMed Central

    Bagyalakshmi, R; Senthilvelan, B; Therese, K L; Murugusundram, S; Madhavan, H N

    2008-01-01

    Objective: To develop and optimize polymerase chain reaction-based restriction fragment length polymorphism (PCR-RFLP) targeting 18S rDNA and internal transcribed spacer (ITS) region of fungi for rapid detection and identification of dermatophytes. Materials and Methods: Two PCR-RFLP methods targeting 18S rDNA and ITS regions of fungi were optimized using standard and laboratory isolates of dermatophytes and other fungi. Sixty-eight dermatological clinical specimens (nail clippings (56), material obtained from blisters (8), hair root (2), scraping from scaly plaque of foot (1) and skin scraping (1) collected by the dermatologist were subjected to both the optimized PCR-RFLP and conventional mycological (smear and culture) methods. Results: PCRs targeting 18S rDNA and the ITS region were sensitive to detect 10 picograms and 1 femtogram of T. rubrum DNA, respectively. PCR targeting 18S rDNA was specific for dermatophytes and subsequent RFLP identified them to species level. PCR-RFLP targeting the ITS region differentiated dermatophytes from other fungi with identification to species level. Among the 68 clinical specimens tested, both PCR-RFLP methods revealed the presence of dermatophytes in 27 cases (39.7%), whereas culture revealed the same only in 2 cases (7.40%), increasing the clinical sensitivity by 32.3%. Among 20 smear positive specimens, both PCR-RFLP methods detected dermatophytes in 12 (17.6%). Both the methods detected the presence of dermatophytes in 13 (19.11%) smear and culture negative specimens, increasing the clinical sensitivity by 36.1%. Conclusion: PCR-RFLP methods targeting 18S rDNA and the ITS regions of fungi were specific and highly sensitive for detection and speciation of dermatophytes. PMID:19967012

  7. Design study for a magnetically supported reaction wheel

    NASA Technical Reports Server (NTRS)

    Stocking, G.; Dendy, J.; Sabnis, A.

    1974-01-01

    Results are described of a study program in which the characteristics of a magnetically supported reaction wheel are defined. Tradeoff analyses are presented for the principal components, which are then combined in several reaction wheel design concepts. A preliminary layout of the preferred configuration is presented along with calculated design and performance parameters. Recommendations are made for a prototype development program.

  8. Fragmentation properties of metals

    SciTech Connect

    Grady, D.E.; Kipp, M.E.

    1996-06-01

    In the present study we are developing an experimental fracture material property test method specific to dynamic fragmentation. Spherical test samples of the metals of interest are subjected to controlled impulsive stress loads by acceleration to high velocities with a light-gas launcher facility and subsequent normal impact on thin plates. Motion, deformation and fragmentation of the test samples are diagnosed with multiple flash radiography methods. The impact plate materials are selected to be transparent to the x-ray method so that only test metal material is imaged. Through a systematic series of such tests, both strain-to-failure and fragmentation resistance properties are determined through this experimental method. Fragmentation property data for several steels, copper, aluminum, tantalum and titanium have been obtained to date. Aspects of the dynamic data have been analyzed with computational methods to achieve a better understanding of the processes leading to failure and fragmentation, and to test an existing computational fragmentation model.

  9. Isotope labelling to study molecular fragmentation during the dielectric barrier discharge wet reforming of methane

    NASA Astrophysics Data System (ADS)

    Montoro-Damas, Antonio M.; Gómez-Ramírez, Ana; Gonzalez-Elipe, Agustín R.; Cotrino, José

    2016-09-01

    Isotope labelling is used to study the wet plasma reforming of methane in a dielectric barrier discharge reactor using D2O and CH4 as reactants. Besides the formation of CO and hydrogen as main products, different partitions of H and D atoms are found in the hydrogen (i.e., H2, HD, D2), methane (i.e., CH4, CH3D and CH2D2) and water (D2O, DHO) molecules detected by mass spectrometry as outlet gases of the plasma process. The effect of operating parameters such as applied current, residence time and the addition of oxygen to the reaction mixture is correlated with the H/D distribution in these molecules, the overall reaction yield and the energetic efficiency of the process. The results prove the plasma formation of intermediate excited species that rendering water and methane instead of CO and hydrogen greatly contribute to decrease the overall energy efficiency of the reforming process.

  10. Computational study of silica-supported transition metal fragments for Kubas-type hydrogen storage.

    PubMed

    Skipper, Claire V J; Hamaed, Ahmad; Antonelli, David M; Kaltsoyannis, Nikolas

    2010-12-01

    To verify the role of the Kubas interaction in transition metal grafted mesoporous silicas, and to rationalize unusual rising enthalpy trends with surface coverage by hydrogen in these systems, computational studies have been performed. Thus, the interaction of H2 with the titanium centers in molecular models for experimentally characterized mesoporous silica-based H2 absorption materials has been studied quantum chemically using gradient corrected density functional theory. The interaction between the titanium and the H2 molecules is found to be of a synergic, Kubas type, and a maximum of four H2 molecules can be bound to each titanium, in good agreement with previous experiments. The average Ti-H2 interaction energies in molecules incorporating benzyl ancillary ligands (models of the experimental systems) increase as the number of bound H2 units increases from two to four, in agreement with the experimental observation that the H2 adsorption enthalpy increases as the number of adsorbed H2 molecules increases. The Ti-H2 interaction is shown to be greater when the titanium is bound to ancillary ligands, which are poor π-acceptors, and when the ancillary ligand causes the least steric hindrance to the metal. Extension of the target systems to vanadium and chromium shows that, for molecules containing hydride ancillary ligands, a good relationship is found between the energies of the frontier molecular orbitals of the molecular fragments, which interact with incoming H2 molecules, and the strength of the M-H2 interaction. For the benzyl systems, both the differences in M-H2 interaction energies and the energy differences in frontier orbital energies are smaller than those in the hydrides, such that conclusions based on frontier orbital energies are less robust than for the hydride systems. Because of the high enthalpies predicted for organometallic fragments containing hydride ligands, and the low affinity of Cr(III) for hydrogen in this study, these features may

  11. Origin of Carbon in Ureilite Meteorites: A Step Combustion Study of Fragments of Almahata Sitta

    NASA Astrophysics Data System (ADS)

    Downes, H.; Abernethy, F.; Smith, C. L.; Ross, A. J.; Jenniskens, P.; Grady, M. M.; Shaddad, M.

    2014-09-01

    Carbon and nitrogen isotope compositions determined in five ureilitic fragments of Almahata Sitta show main release values that are different from those of most known carbonaceous chondrites, suggesting heterogeneity of carbon in the solar nebula.

  12. A complex reaction time study (Sternberg) in space flight

    NASA Technical Reports Server (NTRS)

    Thornton, W.; Uri, John; Moore, Tom

    1993-01-01

    Simple and complex (Sternberg) reaction time studies were flown on three and seven day Shuttle flights in 1985. Three subjects did selftesting with an onboard handheld calculator without difficulty. There was little change in simple reaction time. One subject demonstrated a decrease in the processing rate during space motion sickness while a second exhibited an increase in complex reaction time without a change in processing rate during a period of high work load. The population was too small to demonstrate significant changes. This study demonstrates the ease and practicality of such measurements and indicates the potential value of such studies in space.

  13. Fundamental studies of retrograde reactions in direct liquefaction

    SciTech Connect

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

    1991-12-17

    The overall objective of the program was to improve the understanding of retrograde reactions and their dependencies on coal rank and structure, and/or coal modifications and reaction conditions. Because retrograde reactions are competitive with bond breaking reactions, an understanding of both is required to shift the competition in favor of the latter. Related objectives were to clarify the conflicting observations reported in literature on such major topics as the role of oxygen groups in retrograde reactions and to provide a bridge from very fundamental studies on pure compounds to phenomenological studies on actual coal. This information was integrated into the FG-DVC model, which was improved and extended to the liquefaction context.

  14. Ultrahigh-vacuum chamber equipped with a reaction cell for studying liquid-phase catalytic reactions

    NASA Astrophysics Data System (ADS)

    Gardin, Denis E.; Somorjai, Gabor A.

    1993-05-01

    We describe the construction and operation of a liquid-phase reaction cell designed in our laboratory that is attached to an ultrahigh-vacuum (UHV) chamber equipped with the traditional surface science techniques for structure and composition analysis. The sample surface can be prepared and characterized in the UHV chamber prior to transfer in the liquid-phase reaction cell. The transfer has been designed so that there is no loss of the UHV chamber vacuum integrity, as few parts as possible come into contact with the liquid, the surface stays clean during the transfer. The liquid-phase reaction cell itself is designed to study liquid-phase hydrogenation reactions at pressures up to 2 atm and temperatures up to 70 °C. A 1-mm-diam liquid jet with a velocity up to 6 m/s is produced by a gear pump that is incident on the sample surface to allow good mass transfer at the liquid-solid interface. The progress of the reaction is followed by gas chromatography. We report the reaction rate data for the hydrogenation of cyclohexene on a platinum foil.

  15. Ultrahigh-vacuum chamber equipped with a reaction cell for studying liquid-phase catalytic reactions

    SciTech Connect

    Gardin, D.E.; Somorjai, G.A. )

    1993-05-01

    We describe the construction and operation of a liquid-phase reaction cell designed in our laboratory that is attached to an ultrahigh-vacuum (UHV) chamber equipped with the traditional surface science techniques for structure and composition analysis. The sample surface can be prepared and characterized in the UHV chamber prior to transfer in the liquid-phase reaction cell. The transfer has been designed so that there is no loss of the UHV chamber vacuum integrity, as few parts as possible come into contact with the liquid, the surface stays clean during the transfer. The liquid-phase reaction cell itself is designed to study liquid-phase hydrogenation reactions at pressures up to 2 atm and temperatures up to 70 [degree]C. A 1-mm-diam liquid jet with a velocity up to 6 m/s is produced by a gear pump that is incident on the sample surface to allow good mass transfer at the liquid-solid interface. The progress of the reaction is followed by gas chromatography. We report the reaction rate data for the hydrogenation of cyclohexene on a platinum foil.

  16. {sup 10-11}Li and {sup 13-14}Be Studied by Projectile Fragmentation and pp-RPA

    SciTech Connect

    Blanchon, G.; Bonaccorso, A.; Brink, D. M.; Mau, N. Vinh

    2009-05-04

    The level ordering in the unbound nuclei {sup 10}Li and {sup 13}Be is established on firm basis using a time dependent projectile fragmentation model, comparing to experimental data and using structure inputs obtained from a semi-phenomenological core-vibration coupling model of two-neutron halo nuclei. As a consistency test we show that the energy spectra of some Beryllium isotopes obtained by using pp-RPA predict the same shell ordering as extracted from the reaction model vs. data analysis and that the well known structure of {sup 11}Li is reproduced.

  17. Effects of target fragmentation on evaluation of LET spectra from space radiations: implications for space radiation protection studies

    NASA Technical Reports Server (NTRS)

    Cucinotta, F. A.; Wilson, J. W.; Shinn, J. L.; Badavi, F. F.; Badhwar, G. D.

    1996-01-01

    We present calculations of linear energy transfer (LET) spectra in low earth orbit from galactic cosmic rays and trapped protons using the HZETRN/BRYNTRN computer code. The emphasis of our calculations is on the analysis of the effects of secondary nuclei produced through target fragmentation in the spacecraft shield or detectors. Recent improvements in the HZETRN/BRYNTRN radiation transport computer code are described. Calculations show that at large values of LET (> 100 keV/micrometer) the LET spectra seen in free space and low earth orbit (LEO) are dominated by target fragments and not the primary nuclei. Although the evaluation of microdosimetric spectra is not considered here, calculations of LET spectra support that the large lineal energy (y) events are dominated by the target fragments. Finally, we discuss the situation for interplanetary exposures to galactic cosmic rays and show that current radiation transport codes predict that in the region of high LET values the LET spectra at significant shield depths (> 10 g/cm2 of Al) is greatly modified by target fragments. These results suggest that studies of track structure and biological response of space radiation should place emphasis on short tracks of medium charge fragments produced in the human body by high energy protons and neutrons.

  18. Study of Structure and Small-Scale Fragmentation in TMC-1

    NASA Technical Reports Server (NTRS)

    Langer, W. D.; Velusamy, T.; Kuiper, T. B.; Levin, S.; Olsen, E.; Migenes, V.

    1995-01-01

    Large-scale C(sup 18)O maps show that the Taurus molecular cloud 1 (TMC-1) has numerous cores located along a ridge which extends about 12 minutes by at least 35 minutes. The cores traced by C(sup 18)O are about a few arcminutes (0.1-0.2 pc) in extent, typically contain about 0.5-3 solar mass, and are probably gravitationally bound. We present a detailed study of the small-scale fragmentary structure of one of these cores, called core D, within TMC-1 using very high spectral and spatial resolution maps of CCS and CS. The CCS lines are excellent tracers for investigating the density, temperature, and velocity structure in dense cores. The high spectral resolution, 0.008 km /s, data consist mainly of single-dish, Nyquist-sampled maps of CCS at 22 GHz with 45 sec spatial resolution taken with NASA's 70 m DSN antenna at Goldstone. The high spatial resolution spectral line maps were made with the Very Large Array (9 sec resolution) at 22 GHz and with the OVRO millimeter array in CCS and CS at 93 GHz and 98 GHz, respectively, with 6 sec resolution. These maps are supplemented with single-dish observations of CCS and CC(sup 34)S spectra at 33 GHz using a NASA 34 m DSN antenna, CCS 93 GHz, C(sup 34)S (2-1), and C(sup 18)O (1-0) single-dish observations made with the AT&T Bell Laboratories 7 m antenna. Our high spectral and spatial CCS and CS maps show that core D is highly fragmented. The single-dish CCS observations map out several clumps which range in size from approx. 45 sec to 90 sec (0.03-0.06 pc). These clumps have very narrow intrinsic line widths, 0.11-0.25 km/s, slightly larger than the thermal line width for CCS at 10 K, and masses about 0.03-0.2 solar mass. Interferometer observations of some of these clumps show that they have considerable additional internal structure, consisting of several condensations ranging in size from approx. 10 sec- 30 sec (0.007-0.021 pc), also with narrow line widths. The mass of these smallest fragments is of order 0.01 solar mass

  19. Effective field theories in the study of KAON(LONG) TO PION+ PION- POSITRON ELECTRON and heavy quark fragmentation

    NASA Astrophysics Data System (ADS)

    Elwood, John Kenneth

    1997-03-01

    This thesis examines several situations in which effective field theories may be used to generate perturbative predictions for nonperturbative phenomena. The decay mode K-long to Pi(plus) Pi(minus) e(plus) e(minus) is analyzed in great detail using chiral perturbation theory, and the form factors for the decay are determined, along with the sizes of various CP violating observables. One of these variables turns out to be quite sizeable, approaching 20% for appropriate cuts on the lepton pair invariant mass. Fragmentation of a c quark to the excited charmed baryon doublet Lambda- c(*) is also studied within the framework of a chiral theory, and various decay distributions are expressed in terms of nonperturbative fragmentation parameters. A perturbative calculation of related fragmentation parameters is also briefly discussed.

  20. Jet-A reaction mechanism study for combustion application

    NASA Technical Reports Server (NTRS)

    Lee, Chi-Ming; Kundu, Krishna; Acosta, Waldo

    1991-01-01

    Simplified chemical kinetic reaction mechanisms for the combustion of Jet A fuel was studied. Initially, 40 reacting species and 118 elementary chemical reactions were chosen based on a literature review. Through a sensitivity analysis with the use of LSENS General Kinetics and Sensitivity Analysis Code, 16 species and 21 elementary chemical reactions were determined from this study. This mechanism is first justified by comparison of calculated ignition delay time with the available shock tube data, then it is validated by comparison of calculated emissions from the plug flow reactor code with in-house flame tube data.

  1. Fission Study Using Multi-Nucleon Transfer Reactions

    NASA Astrophysics Data System (ADS)

    Nishio, K.; Hirose, K.; Lėguillon, R.; Makii, H.; Nishinaka, I.; Orlandi, R.; Smallcombe, J.; Ishii, T.; Tsukada, K.; Asai, M.; Chiba, S.; Ohtsuki, T.; Tatsuzawa, R.; Takaki, N.

    2015-06-01

    Fission study using multi-nucleon transfer reaction will be discussed. This approach has an advantage that we can study fission of neutron-rich nuclei which cannot be accessed by particle or charged-particle capture reactions. Unique feature in our setup is that we can produce fission data for many nuclei using many transfer-channels. Also wide excitation energy range can be covered in this set up, allowing us to measure the excitation energy dependence of the fission properties. Preliminary data obtained in the 18O + 238U reaction will be presented..

  2. Jet-A reaction mechanism study for combustion application

    NASA Technical Reports Server (NTRS)

    Lee, Chi-Ming; Kundu, Krishna; Acosta, Waldo

    1991-01-01

    Simplified chemical kinetic reaction mechanisms for the combustion of Jet A fuel are studied. Initially 40 reacting species and 118 elementary chemical reactions were chosen based on the literature review of previous works. Through a sensitivity analysis with the use of LSENS General Kinetics and Sensitivity Analysis Code, 16 species and 21 elementary chemical reactions were determined from this study. This mechanism is first justified by comparison of calculated ignition delay time with available shock tube data, then it is validated by comparison of calculated emissions from plug flow reactor code with in-house flame tube data.

  3. Fragmentation of [Ni(NO3)3](-): A Study of Nickel-Oxygen Bonding and Oxidation States in Nickel Oxide Fragments.

    PubMed

    Hester, Thomas H; Albury, Rachael M; Pruitt, Carrie Jo M; Goebbert, Daniel J

    2016-07-01

    Gas-phase nickel nitrate anions are known to produce nickel oxide nitrate anions, [NiOx(NO3)y](-) upon fragmentation. The goal of this study was to investigate the properties of nickel oxide nitrate complexes generated by electrospray ionization using a tandem quadrupole mass spectrometer and theoretical calculations. The [Ni(NO3)3](-) ion undergoes sequential NO2(•) elimination to yield [NiO(NO3)2](-) and [NiO2(NO3)](-), followed by elimination of O2. The electronic structure of the nickel oxide core influences decomposition. Calculations indicate electron density from oxygen is delocalized onto the metal, yielding a partially oxidized oxygen in [NiO(NO3)2](-). Theoretical studies suggest the mechanism for O2 elimination from [NiO2(NO3)](-) involves oxygen atom transfer from a nitrate ligand to yield an intermediate, [NiO(O2)(NO2)](-), containing an oxygen radical anion ligand, O(•-), a superoxide ligand, O2(•-), and a nitrite ligand bound to Ni(2+). Electron transfer from superoxide partially reduces both the metal and oxygen and yields the energetically favored [NiO(NO2)](-) + O2 products. PMID:27328831

  4. Theoretical Studies of Elementary Hydrocarbon Species and Their Reactions

    SciTech Connect

    Allen, Wesley D.; Schaefer, III, Henry F.

    2015-11-14

    This is the final report of the theoretical studies of elementary hydrocarbon species and their reactions. Part A has a bibliography of publications supported by DOE from 2010 to 2016 and Part B goes into recent research highlights.

  5. Theoretical Study of Sodium-Water Surface Reaction Mechanism

    NASA Astrophysics Data System (ADS)

    Kikuchi, Shin; Kurihara, Akikazu; Ohshima, Hiroyuki; Hashimoto, Kenro

    Computational study of the sodium-water reaction at the gas (water) - liquid (sodium) interface has been carried out using the ab initio (first-principle) method. A possible reaction channel has been identified for the stepwise OH bond dissociations of a single water molecule. The energetics including the binding energy of a water molecule on the sodium surface, the activation energies of the bond cleavages, and the reaction energies, have been evaluated, and the rate constants of the first and second OH bond-breakings have been compared. It was found that the estimated rate constant of the former was much larger than the latter. The results are the basis for constructing the chemical reaction model used in a multi-dimensional sodium-water reaction code, SERAPHIM, being developed by Japan Atomic Energy Agency (JAEA) toward the safety assessment of the steam generator (SG) in a sodium-cooled fast reactor (SFR).

  6. Bulk plasma fragmentation in a C{sub 4}F{sub 8} inductively coupled plasma: A hybrid modeling study

    SciTech Connect

    Zhao, Shu-Xia; Zhang, Yu-Ru; Gao, Fei; Wang, You-Nian; Bogaerts, Annemie

    2015-06-28

    A hybrid model is used to investigate the fragmentation of C{sub 4}F{sub 8} inductive discharges. Indeed, the resulting reactive species are crucial for the optimization of the Si-based etching process, since they determine the mechanisms of fluorination, polymerization, and sputtering. In this paper, we present the dissociation degree, the density ratio of F vs. C{sub x}F{sub y} (i.e., fluorocarbon (fc) neutrals), the neutral vs. positive ion density ratio, details on the neutral and ion components, and fractions of various fc neutrals (or ions) in the total fc neutral (or ion) density in a C{sub 4}F{sub 8} inductively coupled plasma source, as well as the effect of pressure and power on these results. To analyze the fragmentation behavior, the electron density and temperature and electron energy probability function (EEPF) are investigated. Moreover, the main electron-impact generation sources for all considered neutrals and ions are determined from the complicated C{sub 4}F{sub 8} reaction set used in the model. The C{sub 4}F{sub 8} plasma fragmentation is explained, taking into account many factors, such as the EEPF characteristics, the dominance of primary and secondary processes, and the thresholds of dissociation and ionization. The simulation results are compared with experiments from literature, and reasonable agreement is obtained. Some discrepancies are observed, which can probably be attributed to the simplified polymer surface kinetics assumed in the model.

  7. Quantitative study of Helicobacter pylori in gastric mucus by competitive PCR using synthetic DNA fragments.

    PubMed Central

    Furuta, T; Kaneko, E; Suzuki, M; Arai, H; Futami, H

    1996-01-01

    Helicobacter pylori is closely related to upper gastrointestinal diseases, and the precise evaluation of H. pylori infection is necessary for the treatment of these diseases. The aim of the present study was to establish a method for the quantitative detection of H. pylori. We applied a competitive PCR method using various amounts of synthetic DNA fragments containing the same primer-binding and a subset of the same template sequences as the target competing for primer binding and amplification in order to quantify H. pylori in gastric mucus. The results obtained by this method were compared with the results of histological examination, the rapid urease test, bacterial culture, the [13C]urea breath test, and urea and ammonia measurements in gastric juice. As the quantity of H. pylori in gastric mucus increased, the rates of positivity of histological examination, the rapid urease test, and bacterial culture increased. The quantity of H. pylori in gastric mucus was also significantly correlated with the results of the [13C]urea breath test and was negatively correlated with the urea/ammonia ratio in gastric juice. The competitive PCR method provides an objective measure of the quantity of H. pylori and makes it possible to distinguish true negatives from false negatives due to incomplete PCR and true positives from false positives due to contamination. This method is very useful for the precise evaluation of gastric H. pylori infection. PMID:8880492

  8. Study of Binding Interaction between Pif80 Protein Fragment and Aragonite

    NASA Astrophysics Data System (ADS)

    Du, Yuan-Peng; Chang, Hsun-Hui; Yang, Sheng-Yu; Huang, Shing-Jong; Tsai, Yu-Ju; Huang, Joseph Jen-Tse; Chan, Jerry Chun Chung

    2016-08-01

    Pif is a crucial protein for the formation of the nacreous layer in Pinctada fucata. Three non-acidic peptide fragments of the aragonite-binding domain (Pif80) are selected, which contain multiple copies of the repeat sequence DDRK, to study the interaction between non-acidic peptides and aragonite. The polypeptides DDRKDDRKGGK (Pif80-11) and DDRKDDRKGGKDDRKDDRKGGK (Pif80-22) have similar binding affinity to aragonite. Solid-state NMR data indicate that the backbones of Pif80-11 and Pif80-22 peptides bound on aragonite adopt a random-coil conformation. Pif80-11 is a lot more effective than Pif80-22 in promoting the nucleation of aragonite on the substrate of β-chitin. Our results suggest that the structural arrangement at a protein-mineral interface depends on the surface structure of the mineral substrate and the protein sequence. The side chains of the basic residues, which function as anchors to the aragonite surface, have uniform structures. The role of basic residues as anchors in protein-mineral interaction may play an important role in biomineralization.

  9. Study of Binding Interaction between Pif80 Protein Fragment and Aragonite

    PubMed Central

    Du, Yuan-Peng; Chang, Hsun-Hui; Yang, Sheng-Yu; Huang, Shing-Jong; Tsai, Yu-Ju; Huang, Joseph Jen-Tse; Chan, Jerry Chun Chung

    2016-01-01

    Pif is a crucial protein for the formation of the nacreous layer in Pinctada fucata. Three non-acidic peptide fragments of the aragonite-binding domain (Pif80) are selected, which contain multiple copies of the repeat sequence DDRK, to study the interaction between non-acidic peptides and aragonite. The polypeptides DDRKDDRKGGK (Pif80-11) and DDRKDDRKGGKDDRKDDRKGGK (Pif80-22) have similar binding affinity to aragonite. Solid-state NMR data indicate that the backbones of Pif80-11 and Pif80-22 peptides bound on aragonite adopt a random-coil conformation. Pif80-11 is a lot more effective than Pif80-22 in promoting the nucleation of aragonite on the substrate of β-chitin. Our results suggest that the structural arrangement at a protein-mineral interface depends on the surface structure of the mineral substrate and the protein sequence. The side chains of the basic residues, which function as anchors to the aragonite surface, have uniform structures. The role of basic residues as anchors in protein-mineral interaction may play an important role in biomineralization. PMID:27484975

  10. Study of Binding Interaction between Pif80 Protein Fragment and Aragonite.

    PubMed

    Du, Yuan-Peng; Chang, Hsun-Hui; Yang, Sheng-Yu; Huang, Shing-Jong; Tsai, Yu-Ju; Huang, Joseph Jen-Tse; Chan, Jerry Chun Chung

    2016-01-01

    Pif is a crucial protein for the formation of the nacreous layer in Pinctada fucata. Three non-acidic peptide fragments of the aragonite-binding domain (Pif80) are selected, which contain multiple copies of the repeat sequence DDRK, to study the interaction between non-acidic peptides and aragonite. The polypeptides DDRKDDRKGGK (Pif80-11) and DDRKDDRKGGKDDRKDDRKGGK (Pif80-22) have similar binding affinity to aragonite. Solid-state NMR data indicate that the backbones of Pif80-11 and Pif80-22 peptides bound on aragonite adopt a random-coil conformation. Pif80-11 is a lot more effective than Pif80-22 in promoting the nucleation of aragonite on the substrate of β-chitin. Our results suggest that the structural arrangement at a protein-mineral interface depends on the surface structure of the mineral substrate and the protein sequence. The side chains of the basic residues, which function as anchors to the aragonite surface, have uniform structures. The role of basic residues as anchors in protein-mineral interaction may play an important role in biomineralization. PMID:27484975

  11. Studies of alpha-induced astrophysical reactions at CRIB

    NASA Astrophysics Data System (ADS)

    Yamaguchi, H.; Hashimoto, T.; Hayakawa, S.; Binh, D. N.; Kahl, D.; Kubono, S.

    2010-08-01

    CRIB (CNS Radioactive Ion Beam separator ) is a low-energy RI beam separator at the Center for Nuclear Study (CNS) of the University of Tokyo. Using the RI beams at CRIB, many measurements on proton alpha resonance scatterings, (α,p) reactions, and others were performed in recent years mainly for studying astrophysical reactions and exotic nuclear structure. Among them, the results on the 7Li+α resonance scatterings are presented.

  12. Studies of alpha-induced astrophysical reactions at CRIB

    SciTech Connect

    Yamaguchi, H.; Hashimoto, T.; Hayakawa, S.; Binh, D. N.; Kahl, D.; Kubono, S.

    2010-08-12

    CRIB (CNS Radioactive Ion Beam separator) is a low-energy RI beam separator at the Center for Nuclear Study (CNS) of the University of Tokyo. Using the RI beams at CRIB, many measurements on proton alpha resonance scatterings, ({alpha},p) reactions, and others were performed in recent years mainly for studying astrophysical reactions and exotic nuclear structure. Among them, the results on the {sup 7}Li+{alpha} resonance scatterings are presented.

  13. Exclusive studies of angular distributions in GeV hadron-induced reactions with {sup 197}Au

    SciTech Connect

    Hsi, W.; Kwiatkowski, K.; Wang, G.; Bracken, D.S.; Cornell, E.; Ginger, D.S.; Viola, V.E.; Korteling, R.G.; Morley, K.B.; Huang, R.; Lynch, W.G.; Tsang, M.B.; Xi, H.; Gimeno-Nogues, F.; Ramakrishnan, E.; Rowland, D.; Yennello, S.J.; Breuer, H.; Gushue, S.; Remsberg, L.P.; Botvina, A.; Friedman, W.A.

    1999-09-01

    Exclusive studies of angular distributions for intermediate-mass fragments (IMFs) produced in GeV hadron-induced reactions have been performed with the Indiana Silicon Sphere (ISiS) 4{pi} detector array. Special emphasis has been given to understanding the origin of sideways peaking, which becomes prominent in the angular distributions for beam momenta above about 10 GeV/c. Both the magnitude of the effect and the peak angle increase as a function of fragment multiplicity and charge. When gated on IMF kinetic energy, the angular distributions evolve from forward-peaked to near isotropy as the fragment kinetic energy decreases. Fragment-fragment angular-correlation analyses show no obvious evidence for a dynamic mechanism that might signal shock wave effects or the breakup of exotic geometric shapes such as bubbles or toroids. Moving-source and intranuclear cascade simulations suggest that the observed sideways peaking is of kinematic origin, arising from significant transverse momentum imparted to the heavy recoil nucleus during the fast cascade stage of the collision. A two-step cascade and statistical multifragmentation calculation is consistent with this assumption. {copyright} {ital 1999} {ital The American Physical Society}

  14. Exclusive studies of angular distributions in GeV hadron-induced reactions with [sup 197]Au

    SciTech Connect

    Hsi, W.; Kwiatkowski, K.; Wang, G.; Bracken, D.S.; Cornell, E.; Ginger, D.S.; Viola, V.E. ); Korteling, R.G. V5A I56); Morley, K.B. ); Huang, R.; Lynch, W.G.; Tsang, M.B.; Xi, H. ); Gimeno-Nogues, F.; Ramakrishnan, E.; Rowland, D.; Yennello, S.J. ); Breuer, H. ); Gushue, S.; Remsberg, L.P. ); Botvin

    1999-09-01

    Exclusive studies of angular distributions for intermediate-mass fragments (IMFs) produced in GeV hadron-induced reactions have been performed with the Indiana Silicon Sphere (ISiS) 4[pi] detector array. Special emphasis has been given to understanding the origin of sideways peaking, which becomes prominent in the angular distributions for beam momenta above about 10 GeV/c. Both the magnitude of the effect and the peak angle increase as a function of fragment multiplicity and charge. When gated on IMF kinetic energy, the angular distributions evolve from forward-peaked to near isotropy as the fragment kinetic energy decreases. Fragment-fragment angular-correlation analyses show no obvious evidence for a dynamic mechanism that might signal shock wave effects or the breakup of exotic geometric shapes such as bubbles or toroids. Moving-source and intranuclear cascade simulations suggest that the observed sideways peaking is of kinematic origin, arising from significant transverse momentum imparted to the heavy recoil nucleus during the fast cascade stage of the collision. A two-step cascade and statistical multifragmentation calculation is consistent with this assumption. [copyright] [ital 1999] [ital The American Physical Society

  15. Studies of photoredox reactions on nanosize semiconductors

    SciTech Connect

    Wilcoxon, J.P.; Parsapour, F.; Kelly, D.F.

    1997-02-01

    Light induced electron transfer (ET) from nanosize semiconductors Of MoS{sub 2} to organic electron acceptors such as 2,2`-bipyridine (bpy) and methyl substituted 4,4`,5,5`-tetramethyl- 2,2`-bipyridine (tmb) was studied by static and time resolved photoluminescence spectroscopy. The kinetics of ET were varied by changing the nanocluster size (the band gap), the electron acceptor, and the polarity of the solvent. MoS{sub 2} is an especially interesting semiconductor material as it is an indirect semiconductor in bulk form, and has a layered covalent bonding arrangement which is highly resistant to photocorrosion.

  16. Leprosy Reaction in Thai Population: A 20-Year Retrospective Study

    PubMed Central

    Suchonwanit, Poonkiat; Triamchaisri, Siripich; Wittayakornrerk, Sanchawan; Rattanakaemakorn, Ploysyne

    2015-01-01

    Background. Leprosy is a chronic infectious disease that presents with varying dermatological and neurological symptoms. The leprosy reactions occur over the chronic course of the disease and lead to extensive disability and morbidity. Objective. To analyze and identify the risk factors which contribute to leprosy reactions. Methods. In a retrospective study, we reviewed the medical records of leprosy patients registered at the leprosy clinic, Ramathibodi Hospital, Thailand, between March 1995 and April 2015. One hundred and eight patients were included; descriptive analysis was used for baseline characteristics and a binary logistic regression model was applied for identifying risk factors correlated with leprosy reactions. Results. Of the 108 cases analyzed, 51 were male and 57 were female. The mean age of presentation was 45 years. The borderline tuberculoid type was the most common clinical form. Leprosy reactions were documented in 61 cases (56.5%). The average time to reaction was 8.9 months. From multivariate analysis, risk factors for leprosy reactions were being female, positive bacillary index status, and MB treatment regimen. Conclusions. Leprosy reactions are common complications in leprosy patients. Being female, positive bacillary index status, and multibacillary treatment regimen are significantly associated with the reactions. Early detection in cases with risk factors followed by appropriate treatment could prevent the morbidity of leprosy patients. PMID:26508912

  17. 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 + O{sub 3} {yields} ClO + O{sub 2} 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 + O{sub 3} {yields} ClO + O{sub 2} 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 + O{sub 3} reaction. The Br + O{sub 3} reaction has a direct reaction mechanism similar to that of the Cl + O{sub 3} 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 + NO{sub 2} {yields} 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 NO{sub 2} molecule.

  18. Atmospheric chemistry: Laboratory studies of kinetics of important reactions

    NASA Astrophysics Data System (ADS)

    Smith, S. J.

    Experiments to measure the rate constants for some reactions of the atmospherically important nitrate radical (NO3) are described using the discharge-flow technique. The nitrate radical was monitored by optical absorption at lambda = 662 nm. The reactions of NO3 with some stable organic and inorganic substrates are reported. The temperature dependences of some of the rate constants were also determined (298 less than T less than 523 K). In most cases, computer simulation was used to extract the rate constant for the primary process because the time-dependent behavior of (NO3) was affected by secondary reactions of NO3 with products of the primary interaction. The Arrhenius parameter for the reactions of NO3 with CH3CH3, CH2CH2, CH3OH, CHCl3, and HCl were determined. The activation energies for the reactions studied between NO3 and some alkynes are presented along with the corresponding pre-exponential factors. Some reactions were studied at room temperature (298 plus or minus 2 K) only and the rate constants found (in units of cubic cm/molecule sec) are: buta-1,3-diene (1.8 x 10 (exp -13), isobutene (2.8 x 10 (exp -13), HBr (1.3 x 10 (exp -15) and hex-2-yne (3.0 x 10 (exp -14). Non-Arrhenius behavior was found in the reactions of NO3 with n-butane, isobutane and propene. The empirical variation of these rate constants with temperature is presented. The curvature of the Arrhenius plots is discussed in terms of (1) a temperature-dependent pre-exponential factor, and (2) the possibility that two competing channels, possessing differing activation energies, exist for each reaction. The atmospheric implications of these reactions are discussed with reference to the nighttime production of nitric acid and the importance of the these reactions as loss processes for NO3.

  19. Observation of anomalous reaction mean free paths of nuclear-projectile fragments in research emulsion from 2 A GeV heavy-ion collisions

    SciTech Connect

    Karant, Y.J.

    1981-07-01

    From an analysis of 1460 projectile fragment collisions in nuclear research emulsion exposed to 2.1 A GeV /sup 16/O and 1.9 A GeV /sup 56/Fe at the Bevalac, evidence is presented for the existence of an anomalously short interaction mean free path of projectile fragments for the first several cm after emission. The result is significant to beyond the 3 standard deviation confidence level.

  20. An experimental study of hydromagmatic fragmentation through energetic, non-explosive magma-water mixing

    USGS Publications Warehouse

    Mastin, L.G.; Spieler, O.; Downey, W.S.

    2009-01-01

    In this paper we report the first experimental investigation of non-explosive hydromagmatic fragmentation during energetic mixing with water. We mix magma and water by two methods: (1) pouring a basaltic melt between two converging water sprays; and (2) jetting basaltic melt at high pressure (3??MPa) through a nozzle into a tank of stagnant water. These experiments involved shear at relative velocities of ~ 5-16??m/s and vigorous mixing for less than a second, providing sufficient time for glassy rinds to grow but insufficient time for clot interiors to cool. In resulting fragments, we examined the gross morphology, which reflects fluid deformation during mixing, and surface textures, which reflect the growth and disruption of glassy rinds. We find major differences in both fragment morphology and surface texture between experiments. Water-spray experiments produced Pele's hair, thin bubble shards, melt droplets, and angular, fracture-bound droplet pieces. Melt-jet experiments produced mostly coarse (> 1??mm diameter), wavy fluidal fragments with broken ends. Fluidal surfaces of fragments produced by water-spray experiments were generally shiny under reflected light and, in microscopic examination, smooth down to micron scale, implying no disruption of glassy rinds, except for (a) rare flaking on Pele's hair that was bent prior to solidification; or (b) cracking and alligator-skin textures on segments of melt balls that had expanded before complete cooling. In contrast, textures of fluidal surfaces on fragments produced by melt-jet experiments are dull in reflected light and, in scanning electron images, exhibit ubiquitous discontinuous skins ("rinds") that are flaked, peeled, or smeared away in stripes. Adhering to these surfaces are flakes, blocks, and blobs of detached material microns to tens of microns in diameter. In the water-spray fragments, we interpret the scarcity of disrupted surface rinds to result from lack of bending after surfaces formed. In the

  1. An experimental study of hydromagmatic fragmentation through energetic, non-explosive magma-water mixing

    NASA Astrophysics Data System (ADS)

    Mastin, L. G.; Spieler, O.; Downey, W. S.

    2009-03-01

    In this paper we report the first experimental investigation of non-explosive hydromagmatic fragmentation during energetic mixing with water. We mix magma and water by two methods: (1) pouring a basaltic melt between two converging water sprays; and (2) jetting basaltic melt at high pressure (3 MPa) through a nozzle into a tank of stagnant water. These experiments involved shear at relative velocities of ~ 5-16 m/s and vigorous mixing for less than a second, providing sufficient time for glassy rinds to grow but insufficient time for clot interiors to cool. In resulting fragments, we examined the gross morphology, which reflects fluid deformation during mixing, and surface textures, which reflect the growth and disruption of glassy rinds. We find major differences in both fragment morphology and surface texture between experiments. Water-spray experiments produced Pele's hair, thin bubble shards, melt droplets, and angular, fracture-bound droplet pieces. Melt-jet experiments produced mostly coarse (> 1 mm diameter), wavy fluidal fragments with broken ends. Fluidal surfaces of fragments produced by water-spray experiments were generally shiny under reflected light and, in microscopic examination, smooth down to micron scale, implying no disruption of glassy rinds, except for (a) rare flaking on Pele's hair that was bent prior to solidification; or (b) cracking and alligator-skin textures on segments of melt balls that had expanded before complete cooling. In contrast, textures of fluidal surfaces on fragments produced by melt-jet experiments are dull in reflected light and, in scanning electron images, exhibit ubiquitous discontinuous skins ("rinds") that are flaked, peeled, or smeared away in stripes. Adhering to these surfaces are flakes, blocks, and blobs of detached material microns to tens of microns in diameter. In the water-spray fragments, we interpret the scarcity of disrupted surface rinds to result from lack of bending after surfaces formed. In the melt

  2. Six Biophysical Screening Methods Miss a Large Proportion of Crystallographically Discovered Fragment Hits: A Case Study.

    PubMed

    Schiebel, Johannes; Radeva, Nedyalka; Krimmer, Stefan G; Wang, Xiaojie; Stieler, Martin; Ehrmann, Frederik R; Fu, Kan; Metz, Alexander; Huschmann, Franziska U; Weiss, Manfred S; Mueller, Uwe; Heine, Andreas; Klebe, Gerhard

    2016-06-17

    Fragment-based lead discovery (FBLD) has become a pillar in drug development. Typical applications of this method comprise at least two biophysical screens as prefilter and a follow-up crystallographic experiment on a subset of fragments. Clearly, structural information is pivotal in FBLD, but a key question is whether such a screening cascade strategy will retrieve the majority of fragment-bound structures. We therefore set out to screen 361 fragments for binding to endothiapepsin, a representative of the challenging group of aspartic proteases, employing six screening techniques and crystallography in parallel. Crystallography resulted in the very high number of 71 structures. Yet alarmingly, 44% of these hits were not detected by any biophysical screening approach. Moreover, any screening cascade, building on the results from two or more screening methods, would have failed to predict at least 73% of these hits. We thus conclude that, at least in the present case, the frequently applied biophysical prescreening filters deteriorate the number of possible X-ray hits while only the immediate use of crystallography enables exhaustive retrieval of a maximum of fragment structures, which represent a rich source guiding hit-to-lead-to-drug evolution. PMID:27028906

  3. DFT studies of the conformation and relative energies of alpha-maltotetraose (DP-4): An amylose fragment at atomic resolution

    Technology Transfer Automated Retrieval System (TEKTRAN)

    DFT optimization studies of more than one hundred conformations of a-maltotetraose have been carried out at the B3LYP/6-311++G** level of theory. The DP-4 fragments of predominately 4C1 chair residues include tightly bent forms, helix, band-flips, kinks, boat, and some 1C4 conformers. The three do...

  4. Nano-XRF Study of Earliest Solar Condensates in EL-3 Fragments from the Almahata Sitta TC3 Asteroid

    NASA Astrophysics Data System (ADS)

    Simionovici, A. S.; Lemelle, L.; Boyet, M.; Gillet, Ph.; Rivard, C.; El Goresy, A.

    2014-09-01

    A nano-XRF study of enstatite chondritic fragments of the Almahata Sitta TC3 asteroid was performed at the ID21 beamline of the ESRF synchrotron in Grenoble, France. We report on the identification and composition of idiomorphic sinoite crystals.

  5. Genotypic characterization of Indian isolates of infectious bursal disease virus strains by reverse transcription-polymerase chain reaction combined with restriction fragment length polymorphism analysis.

    PubMed

    Priyadharsini, C V; Senthilkumar, T M A; Raja, P; Kumanan, K

    2016-03-01

    The reverse transcription PCR (RT-PCR) combined with restriction fragment length polymorphism (RFLP) is used for the differentiation of classical virulent (cv), virulent (v) and very virulent (vv) strains of infectious bursal disease virus (IBDV) isolates from chicken bursal tissues in southern states of India. In the present study, six different isolates (MB11, HY12, PY12, BGE14, VCN14 and NKL14) of IBDV strains were subjected for genotyping along with vaccine virus (Georgia, intermediate strain) using RT-PCR for amplification of a 743 bp sequence in the hypervariable region of VP2 gene followed by restriction enzyme digestion with 5 different restriction enzymes (BspMI, SacI, HhaI, StuI and SspI). The RT-PCR products obtained from vvIBDV strains were digested by SspI enzyme except PY12, BGE14 and MB11 isolates. The SacI digested the isolate MB11, PY12 and the vaccine strain, but it did not cleave the very virulent isolates of IBDV. HhaI cleaved all the isolates with different restriction profile patterns. StuI digested all the vvIBDV isolates and BspMI was not able to differentiate field isolates from vaccine strain. Though RT-PCR combined with RFLP is a genotypic method, further confirmation of serotypes to distinguish the vvIBDV from cvIBDV has to be carried out using pathogenicity studies. PMID:26982465

  6. Fragmentation pathways and mechanisms of aromatic compounds in atmospheric pressure studied by GC-DMS and DMS-MS

    NASA Astrophysics Data System (ADS)

    Kendler, Shai; Lambertus, Gordon R.; Dunietz, Barry D.; Coy, Stephen L.; Nazarov, Erkinjon G.; Miller, Raanan A.; Sacks, Richard D.

    2007-06-01

    Differential mobility spectrometry (DMS) is a highly sensitive sensing technology capable of selecting and detecting ions based on the difference between ion mobility at high and low electric field. The combination of a micro-fabricated DMS with gas chromatography (GC) has allowed extensive investigation of the ion chemistry and collisionally induced dissociation (CID) of diaryl molecules on a millisecond timescale at temperatures up to 130 °C. DMS-pre-filtered time-of-flight mass spectrometry (DMS-MS) has been used to verify the chemical composition of the ion species resolved by GC-DMS. This work focuses on the fragmentation of diaryl compounds, including diphenyl methane (DPM) and bibenzyl (BB), using information from the DMS and DMS-MS spectra of a series of aromatic compounds. Density functional theory calculations have been used to investigate the geometry and the energy along the reaction coordinate for the loss of benzene from DPM·H+ and BB·H+ for comparison with GC-DMS and DMS-MS experimental results and with previously reported chemical ionization MS. DPM-H+ is observed to undergo field-induced fragmentation in the DMS to produce C7H7+(Bz+) and unobserved neutral benzene with a low energy barrier. In contrast, BB·H+ fragments to C8H9+ and benzene with a higher energy barrier. Calculated barriers and experimental results are in qualitative agreement. Depletion of the ionized fragments in favor of ion-neutral clusters was also observed at higher concentrations. It is suggested that CID in DMS can further enhance DMS analytical performance.

  7. A Study of Quark Fragmentation Using Kaons Produced in Association with Prompt $D_s^±/D^±$ Mesons

    SciTech Connect

    Singh, Niharika Ranjan

    2012-01-01

    Quarks are considered to be the fundamental constituents of hadronic matter, but they have never been observed as free particles. When quarks are produced at high energy colliders, they quickly form bound colorless states, which then decay to produce the particles observed in experiments. The process by which an initially free quark combines with other quarks to form a hadronic particle is called quark fragmentation and has been described using phenomenological models since quarks were first proposed. Since then, several models have been developed to describe the quark fragmentation phenomenon, and these have been tuned to reproduce many average properties of hadrons produced in high energy collisions. In this dissertation, we describe an analysis that probes the properties of particles produced in association with a hadron containing a charm quark that provides a way, for the first time, to study what is thought of as the second particle produced in the process of heavy quar k fragmentation. Data from proton anti-proton collisions was used to carry out this research, which were collected with the CDF II detector at the Fermilab Tevatron and corresponds to 360/pb-1 of integrated luminosity. We reconstruct $D_s^±$ and $D^±$ mesons, which contain charm quarks, and identify the kaons produced in association with them. The kinematic properties of these kaons are compared with predictions of the fragmentation models implemented in the PYTHIA and HERWIG event generators. We find that kaon production in association with $D_s^±$ mesons is enhanced at levels that are in agreement with the fragmentation models but observe differences in production rates of kaons that are produced later in the fragmentation process.

  8. Experimental studies of reactions relevant for γ-process nucleosynthesis

    SciTech Connect

    Scholz, P.; Endres, J.; Hennig, A.; Mayer, J.; Netterdon, L.; Zilges, A.; Sauerwein, A.

    2014-05-09

    We report on our recent experimental studies of reactions relevant for the γ process nucleosynthesis. Applying the activation method using the Cologne Clover Counting Setup total cross sections of the reactions {sup 168}Yb(α,γ), {sup 168}Yb(α,n), and {sup 187}Re(α,n) could be obtained. Furthermore, the reaction {sup 89}Y(p,γ) was investigated via the in-beam technique with HPGe detectors at the high-efficiency g-ray spectrometer HORUS in Cologne in order to determine partial and total cross sections.

  9. Chemical Accelerator Studies of Ion-Molecule Reaction Dynamics

    NASA Astrophysics Data System (ADS)

    Zhang, Jingfeng

    1995-01-01

    A chemical accelerator instrument has been used to study the dynamics of ion-molecule reaction processes in the gas phase. Specifically, the following reactions are investigated: eqalign{rm CO^+ + H_2&longrightarrowrm HCO ^+ + Hcrrm CO^+ + D_2& longrightarrowrm DCO^+ + Dcrrm CO^+ + HDlongrightarrow &rm HCO ^+ (DCO^+) + D (H)cr} . Both angular and velocity distributions of reactively scattered product ions are measured, as well as reaction cross sections as a function of reactant relative translational energy. Formation of HCO^+ ion from rm CO^+ + H_2 over the collision energy range from 0.35 to 3.02 eV (c.m.) follows closely the predictions of the spectator stripping model, and results in highly excited HCO^+ product ions. This reaction is found to proceed via a direct impulsive mechanism, without any long-lived intermediate complexes involved. The reaction cross section is proportional to E_{T} ^{-1/2}, where E_ {rm T} is the reactant ion relative translational energy. Deuterium atom transfer from D_2 to CO^+ over the collision energy range from 0.41 to 5.14 eV (c.m.) occurs also in a direct process. Reaction cross section is proportional to rm E_{T}^{ -1/2}. The results are very similar to those of the reaction rm CO^+ + H_2. The reaction CO^+ + HD has two product channels, leading to the formation of HCO ^+ and DCO^+, respectively. The reaction is studied over the energy range from 0.88 to 5.00 eV (c.m.). It is found that the production of HCO^+ is consistently the slightly favored reaction channel, which is attributed to the orientation isotope effect. The translational exoergicity for both reaction channels follows closely the prediction of spectator stripping model. Product DCO^+ ions are in higher excited states than HCO ^+ ions. Product velocity distribution contour maps indicate that, at the lowest energies, the DCO ^+ production channel has a longer reaction duration than the HCO^+ production channel, but both reaction channels are dominated by direct

  10. Fluctuations in nuclear fragmentation

    SciTech Connect

    Aranda, A.; Dorso, C.O.; Furci, V.; Lopez, J.A.

    1995-12-01

    Heavy ion collisions can be used to study the thermodynamics of hot and dense nuclear matter only if the initial mass and energy fluctuations that lead to fragmentation are of thermal origin and survive the disassembly process. If this is the case, the observed fragment multiplicity should be directly related to those initial fluctuations and to the conditions of temperature and density causing them. The feasibility of this scenario is demonstrated with a molecular dynamics study of the evolution of mass and energy fluctuations, and fluctuations of the phase-space density. First, it is verified that the fluctuations leading to fragmentation are indeed early ones. Second, it is determined that different initial conditions of density and temperature can indeed produce varying final fragment multiplicities. The {rho}-{ital T} plane is mapped to the fragment multiplicity with good precision. This mapping should be easily reproducible with existing experimental data.

  11. Study of chemical reactions under the influence of ultrasound

    SciTech Connect

    Lee, Kien-Yin.

    1993-01-01

    At Los Alamos the author is interested in sonochemistry because there is potential for accelerating reactions involving the synthesis of certain nitro compounds and for reducing the possibility of decomposition under milder reaction conditions. The author has initiated the study of the nitration of 2,4-dihydro-3H-1,2,4-triazol-3-one with concentrated nitric acid under sonication. The preparation of 3,6-bis(3,5-dimethylpyrazol-1-yl)-1,2-dihydro-1,2,4,5-tetrazine, and oxidation of 3,6-diamino-1,2,4,5-tetrazine were also studied. Sonication reaction conditions and results of these reactions under ultrasound are discussed in detail.

  12. Study of chemical reactions under the influence of ultrasound

    SciTech Connect

    Lee, Kien-Yin

    1993-07-01

    At Los Alamos the author is interested in sonochemistry because there is potential for accelerating reactions involving the synthesis of certain nitro compounds and for reducing the possibility of decomposition under milder reaction conditions. The author has initiated the study of the nitration of 2,4-dihydro-3H-1,2,4-triazol-3-one with concentrated nitric acid under sonication. The preparation of 3,6-bis(3,5-dimethylpyrazol-1-yl)-1,2-dihydro-1,2,4,5-tetrazine, and oxidation of 3,6-diamino-1,2,4,5-tetrazine were also studied. Sonication reaction conditions and results of these reactions under ultrasound are discussed in detail.

  13. Study of multi-nucleon transfer reactions with light nuclei

    SciTech Connect

    Benzoni, G.; Montanari, D.; Bracco, A.; Blasi, N.; Camera, F.; Crespi, F. C. L.; Corsi, A.; Leoni, S.; Million, B.; Nicolini, R.; Wieland, O.; Zalite, A.; Zocca, F.; Azaiez, F.; Franchoo, S.; Stefan, I.; Ibrahim, F.; Verney, D.; Battacharyya, S.; De France, G.

    2008-05-12

    Multi-nucleon transfer reactions are useful tools to populate exotic nuclei, particularly the neutron-rich ones. In this view, two different experiments have been performed employing a stable ({sup 22}Ne) and a radioactive ({sup 24}Ne) beam, both impinging on a {sup 208}Pb target. The first reaction has been studied using the CLARA-PRISMA-DANTE set-up at Laboratori Nazionali di Legnaro (Legnaro-Italy), while the second reaction was performed at Ganil (Caen-France) employing a SPIRAL radioactive beam of {sup 24}Ne. In this case recoils and coincident {gamma} rays were detected with the VAMOS-EXOGAM set-up.The data show that MNT reactions can selectively populate states of different nature and, therefore, are a good tool to study nuclear structure further away from stability.

  14. Performance Assessment of the Polymerase Chain Reaction-Restriction Fragment Length Polymorphism Method for Rapid Detection of Susceptibility to Ethambutol and Molecular Prediction of Extensively Drug-resistant Tuberculosis in Clinical Isolates of Mycobacterium tuberculosis

    PubMed Central

    Arjomandzadegan, M; Nazari, R; Zolfaghari, MR; Taherahmadi, M; Sadrnia, M; Titov, LP; Ahmadi, A; Shojapoor, M

    2015-01-01

    ABSTRACT Introduction: The polymerase chain reaction-restriction fragment length polymorphism (PCR-RFLP) method was employed for rapid detection of ethambutol (EMB) resistant clinical isolates of Mycobacterium tuberculosis. Materials and Methods: From 182 clinical isolates of M tuberculosis collected from different regions, 103 strains were entered in the investigation. DNA was extracted by Chelex 100 method and PCR was performed using specific primers for embB gene. Polymerase chain reaction products were digested with HaeIII and NlaII restriction endonucleases and the patterns of restriction fragments were analysed. Some randomly selected samples were sequenced. Results: Out of 103 studied strains, 52 were resistant to EMB. The cases of secondary tuberculosis were 53 (51.50 ± 1.77%), and primary cases 50 (48.50 ± 1.77%; p > 0.05). From 63 extensively drug-resistant (XDR), pre-XDR and multidrug-resistant (MDR) isolates, 27 (87%), 18 (81.8%) and 7 (70%) strains were resistant to EMB, respectively. Results of PCR-RFLP method showed that from 27R EMB XDR isolates, 13 (sensitivity 48% with CI: 0.307, 0.66 and specificity 100%), from 18R EMB pre-XDR strains, 4 (sensitivity 22% with CI: 0.09, 0.45 and specificity 100%) and of 7R EMB MDR, 2 (sensitivity 28% with CI: 0.082, 0.64 and specificity 100%) had mutation in ATG-Met codon 306. Results of sequencing were concordant with RFLP method. Overall, sensitivity of the molecular method was 36.5% (CI: 0.09, 0.45) and specificity 100%. None of the 40 pansusceptible strains was embB306 mutants. Extensively drug-resistant strains had a higher proportion of embB306 mutants (43%) than pre-XDR and MDR isolates (odds ratio 6.78; p < 0.001). Conclusion: Fast detection of susceptibility to EMB drug is possible by PCR-RFLP. The embB306 locus is a candidate marker for rapid prediction of high resistance of MDR and XDR forms to anti-tuberculosis drugs using this method. PMID:26624582

  15. Studies of heavy-ion reactions and transuranic nuclei. Progress report, September 1, 1992--August 31, 1993

    SciTech Connect

    Schroeder, W.U.

    1993-08-01

    This report contain papers on the following topics: The Cold-Fusion Saga; Decay Patterns of Dysprosium Nuclei Produced in {sup 32}S + {sup 118,124}Sn Fusion Reactions; Unexpected Features of Reactions Between Very Heavy Ions at Intermediate Bombarding Energies; Correlations Between Neutrons and Charged Products from the Dissipative Reaction {sup 197}Au+{sup 208}Pb at E/A = 29 MeV; Dissipative Dynamics of Projectile-Like Fragment Production in the Reaction {sup 209}Bi+{sup 136}Xe at E/A = 28.2 MeV; Dynamical Production of Intermediate-Mass Fragments in Peripheral {sup 209}Bi+{sup 136}Xe Collisions at E{sub lab}/A = 28.2 MeV; The Rochester 960-Liter Neutron Multiplicity Meter; A Simple Pulse Processing Concept for a Low-Cost Pulse-Shape-Based Particle Identification; A One-Transistor Preamplifier for PMT Anode Signals; A Five-Channel Multistop TDC/Event Handler for the SuperBall Neutron Multiplicity Meter; Construction of the SuperBall -- a 16,000-Liter Neutron Detector for Calorimetric Studies of Intermediate-Energy Heavy-Ion Reactions; A Computer Code for Light Detection Efficiency Calculations for Photo-multipliers of a Neutron Detector; Evaluation of Gd-Loaded Liquid Scintillators for the SuperBall Neutron Calorimeter; and Measurement of the Interaction of Cosmic-Ray {mu}{sup {minus}} with a Muon Telescope.

  16. Electronic coupling calculation and pathway analysis of electron transfer reaction using ab initio fragment-based method. I. FMO-LCMO approach

    NASA Astrophysics Data System (ADS)

    Nishioka, Hirotaka; Ando, Koji

    2011-05-01

    By making use of an ab initio fragment-based electronic structure method, fragment molecular orbital-linear combination of MOs of the fragments (FMO-LCMO), developed by Tsuneyuki et al. [Chem. Phys. Lett. 476, 104 (2009)], 10.1016/j.cplett.2009.05.069, we propose a novel approach to describe long-distance electron transfer (ET) in large system. The FMO-LCMO method produces one-electron Hamiltonian of whole system using the output of the FMO calculation with computational cost much lower than conventional all-electron calculations. Diagonalizing the FMO-LCMO Hamiltonian matrix, the molecular orbitals (MOs) of the whole system can be described by the LCMOs. In our approach, electronic coupling TDA of ET is calculated from the energy splitting of the frontier MOs of whole system or perturbation method in terms of the FMO-LCMO Hamiltonian matrix. Moreover, taking into account only the valence MOs of the fragments, we can considerably reduce computational cost to evaluate TDA. Our approach was tested on four different kinds of model ET systems with non-covalent stacks of methane, non-covalent stacks of benzene, trans-alkanes, and alanine polypeptides as their bridge molecules, respectively. As a result, it reproduced reasonable TDA for all cases compared to the reference all-electron calculations. Furthermore, the tunneling pathway at fragment-based resolution was obtained from the tunneling current method with the FMO-LCMO Hamiltonian matrix.

  17. A comparative study of fragment specific versus volar plate fixation of distal radius fractures

    PubMed Central

    Sammer, Douglas M.; Fuller, Douglas S.; Kim, Myra Hyungjin; Chung, Kevin C.

    2015-01-01

    Background There are many plating systems available for treating distal radius fractures (DRFs), and the decision of which type to use can be difficult. This is a prospective cohort study that compares outcomes of two commonly used fixation systems: fragment specific fixation (FSF) and a fixed-angle volar locking plate system (VLPS). Methods Two cohorts of consecutive DRFs were prospectively evaluated. The first cohort was treated with FSF and the second with a VLPS. Radiographic, functional, and patient-rated outcomes (MHQ) were collected immediately post-operatively, and at six and twelve months post-operatively. Complications were recorded and graded by severity. Results Fourteen DRFs treated with FSF and eighty-five DRFs treated with the VLPS were enrolled. At final follow-up, radial inclination was similar in both cohorts (23° vs. 25°); however, volar tilt was worse in the FSF cohort (−10° vs. 10°, p<0.05). Additionally, the majority of the FSF cohort demonstrated a loss of relative radial length (63% of cohort with positive ulnar variance). Grip strength, pinch strength, MHQ scores, and most ROM measurements were superior in the VLPS cohort at 6 months, although not all differences were statistically significant. By 12 months the differences in functional and patient-rated outcomes were smaller, suggesting that the FSF cohort tended to reach the outcomes of the VLPS cohort over time. Complications requiring re-operation were higher in the FSF cohort (p<0.05). Conclusions The VLPS results in more stable fixation and better objective and subjective outcomes early in the post-operative period. It has fewer complications requiring re-operation than FSF. PMID:18971728

  18. Income for the Unemployed: The Variety and Fragmentation of Programs. Studies in Unemployment Insurance.

    ERIC Educational Resources Information Center

    Murray, Merrill G.

    Unemployment insurance is the principal income program for workers who lose their jobs, however, it does not provide adequate income, nor does it provide for all unemployed persons. Because many different programs are operated for this purpose, they tend to have a fragmented effect and leave many unemployed persons with no income support. This…

  19. Correlation between landscape fragmentation and sandy desertification: a case study in Horqin Sandy Land, China.

    PubMed

    Ge, Xiaodong; Dong, Kaikai; Luloff, A E; Wang, Luyao; Xiao, Jun; Wang, Shiying; Wang, Qian

    2016-01-01

    The exact roles of landscape fragmentation on sandy desertification are still not fully understood, especially with the impact of different land use types in spatial dimension. Taking patch size and shape into consideration, this paper selected the Ratio of Patch Size and the Fractal Dimension Index to establish a model that reveals the association between the area of bare sand land and the fragmentation of different land use types adjacent to bare sand land. Results indicated that (1) grass land and arable land contributed the most to landscape fragmentation processes in the regions adjacent to bare sand land during the period 1980 to 2010. Grass land occupied 54 % of the region adjacent to bare sand land in 1980. The Ratio of Patch Size of grass land decreased from 1980 to 2000 and increased after 2000. The Fractal Dimension Index of grass increased during the period 1980 to 1990 and decreased after 1990. Arable land expanded significantly during this period. The Ratio of Patch Size of arable land increased from 1980 to 1990 and decreased since 1990. The Fractal Dimension Index of arable land increased from 1990 to 2000 and decreased after 2000. (2) The Ratio of Patch Size and the Fractal Dimension Index were significantly related to the area of bare sand land. The role of landscape fragmentation was not linear to sandy desertification. There were both positive and negative effects of landscape fragmentation on sandy desertification. In 1980, the Ratio of Patch Size and the Fractal Dimension Index were negatively related to the area of bare sand land, showing that the landscape fragmentation and regularity of patches contributed to the expansion of sandy desertification. In 1990, 2000, and 2010, the Ratio of Patch Size and the Fractal Dimension Index were mostly positively related to the area of bare sand land, showing the landscape fragmentation and regularity of patches contributed to the reversion of sandy desertification in this phase. The absolute values of

  20. Magma Fragmentation

    NASA Astrophysics Data System (ADS)

    Gonnermann, Helge M.

    2015-05-01

    Magma fragmentation is the breakup of a continuous volume of molten rock into discrete pieces, called pyroclasts. Because magma contains bubbles of compressible magmatic volatiles, decompression of low-viscosity magma leads to rapid expansion. The magma is torn into fragments, as it is stretched into hydrodynamically unstable sheets and filaments. If the magma is highly viscous, resistance to bubble growth will instead lead to excess gas pressure and the magma will deform viscoelastically by fracturing like a glassy solid, resulting in the formation of a violently expanding gas-pyroclast mixture. In either case, fragmentation represents the conversion of potential energy into the surface energy of the newly created fragments and the kinetic energy of the expanding gas-pyroclast mixture. If magma comes into contact with external water, the conversion of thermal energy will vaporize water and quench magma at the melt-water interface, thus creating dynamic stresses that cause fragmentation and the release of kinetic energy. Lastly, shear deformation of highly viscous magma may cause brittle fractures and release seismic energy.

  1. Are microsatellite fragment lengths useful for population-level studies? The case of Polygala lewtonii (Polygalaceae)1

    PubMed Central

    Germain-Aubrey, Charlotte C.; Nelson, Cory; Soltis, Douglas E.; Soltis, Pamela S.; Gitzendanner, Matthew A.

    2016-01-01

    Premise of the study: Microsatellites, despite being commonly used population-level markers, contain biases because scoring relies solely on fragment length. Their complexity can lead to homoplasy, the effects of which are poorly understood. We investigated the impact of using fragment lengths, repeats, or flanking region sequences on common population-level analyses. Methods: Five polymorphic microsatellite markers amplified across the central Florida scrub endemic Polygala lewtonii (Polygalaceae) and its close, widespread congener P. polygama. We genotyped 147 individuals of P. lewtonii and 156 of P. polygama, and sequenced the amplicons of four markers across all individuals. We ran basic statistics, spatial clustering analysis, historical demographics, and migration tests. Results: One population of intermediate morphology was genetically clearly identified as P. polygama, making it the southernmost population of this species. Statistics were comparable between the fragment length and repeat numbers, with some notable differences. Flanking regions exhibited surprisingly high polymorphism between species, and between geographically distant conspecific populations. Discussion: The increasing use of markers developed in one species and amplified in another is only a good practice if precautions are taken, notably the sequencing of the fragments between species and populations. Flanking region sequences are a useful marker at the interspecific level. PMID:26949579

  2. Flexible bent rod model with a saturating induced dipole moment to study the electric linear dichroism of DNA fragments

    NASA Astrophysics Data System (ADS)

    Bertolotto, Jorge A.; Umazano, Juan P.

    2016-06-01

    In the present work we make a theoretical study of the steady state electric linear dichroism of DNA fragments in aqueous solution. The here developed theoretical approach considers a flexible bent rod model with a saturating induced dipole moment. The electric polarizability tensor of bent DNA fragments is calculated considering a phenomenological model which theoretical and experimental backgroung is presented here. The model has into account the electric polarizability longitudinal and transversal to the macroion. Molecular flexibility is described using an elastic potential. We consider DNA fragments originally bent with bending fluctuations around an average bending angle. The induced dipole moment is supposed constant once the electric field strength grows up at critical value. To calculate the reduced electric linear dichroism we determine the optical factor considering the basis of the bent DNA perpendicular to the molecular axis. The orientational distribution function has into account the anisotropic electric properties and the molecule flexibility. We applied the present theoretical background to fit electric dichroism experimental data of DNA fragments reported in the bibliography in a wide range of molecular weight and electric field. From these fits, values of DNA physical properties are estimated. We compare and discuss the results here obtained with the theoretical and experimental data presented by other authors. The original contributions of this work are: the inclusion of the transversal electric polarizability saturating with the electric field, the description of the electric properties with an electric polarizability tensor dependant on the bending angle and the use of an arc model originally bent.

  3. Identification of dengue viral RNA-dependent RNA polymerase inhibitor using computational fragment-based approaches and molecular dynamics study.

    PubMed

    Anusuya, Shanmugam; Velmurugan, Devadasan; Gromiha, M Michael

    2016-07-01

    Dengue is a major public health concern in tropical and subtropical countries of the world. There are no specific drugs available to treat dengue. Even though several candidates targeted both viral and host proteins to overcome dengue infection, they have not yet entered into the later stages of clinical trials. In order to design a drug for dengue fever, newly emerged fragment-based drug designing technique was applied. RNA-dependent RNA polymerase, which is essential for dengue viral replication is chosen as a drug target for dengue drug discovery. A cascade of methods, fragment screening, fragment growing, and fragment linking revealed the compound [2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl]8-(1,3-benzothiazol-2-yl)naphthalene-1-carboxylate as a potent dengue viral polymerase inhibitor. Both strain energy and binding free energy calculations predicted that this could be a better inhibitor than the existing ones. Molecular dynamics simulation studies showed that the dengue polymerase-lead complex is stable and their interactions are consistent throughout the simulation. The hydrogen-bonded interactions formed by the residues Arg792, Thr794, Ser796, and Asn405 are the primary contributors for the stability and the rigidity of the polymerase-lead complex. This might keep the polymerase in closed conformation and thus inhibits viral replication. Hence, this might be a promising lead molecule for dengue drug designing. Further optimization of this lead molecule would result in a potent drug for dengue. PMID:26262439

  4. The identification and differentiation of the Candida parapsilosis complex species by polymerase chain reaction-restriction fragment length polymorphism of the internal transcribed spacer region of the rDNA

    PubMed Central

    Barbedo, Leonardo Silva; Figueiredo-Carvalho, Maria Helena Galdino; Muniz, Mauro de Medeiros; Zancopé-Oliveira, Rosely Maria

    2016-01-01

    Currently, it is accepted that there are three species that were formerly grouped under Candida parapsilosis: C. para- psilosis sensu stricto, Candida orthopsilosis, andCandida metapsilosis. In fact, the antifungal susceptibility profiles and distinct virulence attributes demonstrate the differences in these nosocomial pathogens. An accurate, fast, and economical identification of fungal species has been the main goal in mycology. In the present study, we searched sequences that were available in the GenBank database in order to identify the complete sequence for the internal transcribed spacer (ITS)1-5.8S-ITS2 region, which is comprised of the forward and reverse primers ITS1 and ITS4. Subsequently, an in silico polymerase chain reaction-restriction fragment length polymorphism (PCR-RFLP) was performed to differentiate the C. parapsilosis complex species. Ninety-eight clinical isolates from patients with fungaemia were submitted for analysis, where 59 isolates were identified as C. parapsilosis sensu stricto, 37 were identified as C. orthopsilosis, and two were identified as C. metapsilosis. PCR-RFLP quickly and accurately identified C. parapsilosis complex species, making this method an alternative and routine identification system for use in clinical mycology laboratories. PMID:27074256

  5. Revealing Stepwise Mechanisms in Dipolar Cycloaddition Reactions: Computational Study of the Reaction between Nitrones and Isocyanates.

    PubMed

    Darù, Andrea; Roca-López, David; Tejero, Tomás; Merino, Pedro

    2016-01-15

    The mechanism of cycloaddition reactions of nitrones with isocyanates has been studied using density functional theory (DFT) methods at the M06-2X/cc-pVTZ level of theory. The exploration of the potential energy surfaces associated with two reactive channels leading to 1,2,4-oxadiazolidin-5-ones and 1,4,2-dioxazolidines revealed that the cycloaddition reaction takes place through a concerted mechanism in gas phase and in apolar solvents but a stepwise mechanism in polar solvents. In stepwise mechanisms, the first step of the reaction is a rare case in which the nitrone oxygen acts as a nucleophile by attacking the central carbon atom of the isocyanate (interacting with the π-system of the C═O bond) to give an intermediate. The corresponding transition structure is stabilized by an attractive electrostatic interaction favored in a polar medium. The second step of the reaction is the rate-limiting one in which the formation of 1,2,4-oxadiazolidin-5-ones or 1,4,2-dioxazolidines is decided. Calculations indicate that formation of 1,2,4-oxadiazolidin-5-ones is favored both kinetically and thermodynamically independently of the solvent, in agreement with experimental observations. Noncovalent interactions (NCI) and topological analysis of the gradient field of electron localization function (ELF) bonding confirmed the observed interactions. PMID:26682934

  6. Gas-Phase Fragmentation Analysis of Nitro-Fatty Acids

    NASA Astrophysics Data System (ADS)

    Bonacci, Gustavo; Asciutto, Eliana K.; Woodcock, Steven R.; Salvatore, Sonia R.; Freeman, Bruce A.; Schopfer, Francisco J.

    2011-09-01

    Nitro-fatty acids are electrophilic signaling mediators formed in increased amounts during inflammation by nitric oxide and nitrite-dependent redox reactions. A more rigorous characterization of endogenously-generated species requires additional understanding of their gas-phase induced fragmentation. Thus, collision induced dissociation (CID) of nitroalkane and nitroalkene groups in fatty acids were studied in the negative ion mode to provide mass spectrometric tools for their structural characterization. Fragmentation of nitroalkanes occurred mainly through loss of the NO{2/-} anion or neutral loss of HNO2. The CID of nitroalkenes proceeds via a more complex cyclization, followed by fragmentation to nitrile and aldehyde products. Gas-phase fragmentation of nitroalkene functional groups with additional γ or δ unsaturation occurred through a multiple step cyclization reaction process, leading to 5 and 6 member ring heterocyclic products and carbon chain fragmentation. Cyclization products were not obtained during nitroalkane fragmentation, highlighting the role of double bond π electrons during NO{2/-} rearrangements, stabilization and heterocycle formation. The proposed structures, mechanisms and products of fragmentation are supported by analysis of 13C and 15N labeled parent molecules, 6 different nitroalkene positional isomers, 6 nitroalkane positional isomers, accurate mass determinations at high resolution and quantum mechanics calculations. Multiple key diagnostic ion fragments were obtained through this analysis, allowing for the precise placement of double bonds and sites of fatty acid nitration, thus supporting an ability to predict nitro positions in biological samples.

  7. Time sequence and time scale of intermediate mass fragment emission

    SciTech Connect

    De Filippo, E.; Pagano, A.; Cardella, G.; Lanzano, G.; Papa, M.; Pirrone, S.; Politi, G.; Wilczynski, J.

    2005-04-01

    Semiperipheral collisions in the {sup 124}Sn+{sup 64}Ni reaction at 35 MeV/nucleon were studied using the forward part of the Charged Heavy Ion Mass and Energy Resolving Array. Nearly completely determined ternary events involving projectilelike fragments (PLF), targetlike fragments (TLF), and intermediate mass fragments (IMF) were selected. A new method of studying the reaction mechanism, focusing on the analysis of the correlations between relative velocities in the IMF+PLF and IMF+TLF subsystems, is proposed. The relative velocity correlations provide information on the time sequence and time scale of the neck fragmentation processes leading to production of IMFs. It is shown that the majority of light IMFs are produced within 40-80 fm/c after the system starts to reseparate. Heavy IMFs are formed at times of about 120 fm/c or later and can be viewed as resulting from two-step (sequential) neck rupture processes.

  8. Reaction studies of hot silicon, germanium and carbon atoms

    SciTech Connect

    Gaspar, P.P.

    1990-11-01

    The goal of this project was to increase the authors understanding of the interplay between the kinetic and electronic energy of free atoms and their chemical reactivity by answering the following questions: (1) what is the chemistry of high-energy carbon silicon and germanium atoms recoiling from nuclear transformations; (2) how do the reactions of recoiling carbon, silicon and germanium atoms take place - what are the operative reaction mechanisms; (3) how does the reactivity of free carbon, silicon and germanium atoms vary with energy and electronic state, and what are the differences in the chemistry of these three isoelectronic atoms This research program consisted of a coordinated set of experiments capable of achieving these goals by defining the structures, the kinetic and internal energy, and the charge states of the intermediates formed in the gas-phase reactions of recoiling silicon and germanium atoms with silane, germane, and unsaturated organic molecules, and of recoiling carbon atoms with aromatic molecules. The reactions of high energy silicon, germanium, and carbon atoms created by nuclear recoil were studied with substrates chosen so that their products illuminated the mechanism of the recoil reactions. Information about the energy and electronic state of the recoiling atoms at reaction was obtained from the variation in end product yields and the extent of decomposition and rearrangement of primary products (usually reactive intermediates) as a function of total pressure and the concentration of inert moderator molecules that remove kinetic energy from the recoiling atoms and can induce transitions between electronic spin states. 29 refs.

  9. Secondary Teachers' Reactions to the New Social Studies.

    ERIC Educational Resources Information Center

    Nelson, Lynn R.; Drake, Frederick D.

    1994-01-01

    Reports on 29 veteran secondary social studies teachers' reactions and responses to the New Social Studies movement of the 1960s and 1970s. Results indicate the magnitude of the gulf that exists between the concerns of theorists and the issues that are important to teachers. (CFR)

  10. Reaction dynamics studies for the system 7Be+58Ni

    NASA Astrophysics Data System (ADS)

    Torresi, D.; Mazzocco, M.; Acosta, L.; Boiano, A.; Boiano, C.; Diaz-Torres, A.; Fierro, N.; Glodariu, T.; Grilj, L.; Guglielmetti, A.; Keeley, N.; La Commara, M.; Martel, I.; Mazzocchi, C.; Molini, P.; Pakou, A.; Parascandolo, C.; Parkar, V. V.; Patronis, N.; Pierroutsakou, D.; Romoli, M.; Rusek, K.; Sanchez-Benitez, A. M.; Sandoli, M.; Signorini, C.; Silvestri, R.; Soramel, F.; Stiliaris, E.; Strano, E.; Stroe, L.; Zerva, K.

    2015-04-01

    The study of reactions induced by exotic weakly bound nuclei at energies around the Coulomb barrier had attracted a large interest in the last decade, since the features of these nuclei can deeply affect the reaction dynamics. The discrimination between different reaction mechanisms is, in general, a rather difficult task. It can be achieved by using detector arrays covering high solid angle and with high granularity that allow to measure the reaction products and, possibly, coincidences between them, as, for example, recently done for stable weakly bound nuclei [1, 2]. We investigated the collision of the weakly bound nucleus 7Be on a 58Ni target at the beam energy of 1.1 times the Coulomb barrier, measuring the elastic scattering angular distribution and the energy and angular distributions of 3He and 4He. The 7Be radioactive ion beam was produced by the facility EXOTIC at INFN-LNL with an energy of 22 MeV and an intensity of ~3×105 pps. Results showed that the 4He yeld is about 4 times larger than 3He yield, suggesting that reaction mechanisms other than the break-up mostly produce the He isotopes. Theoretical calculations for transfer channels and compound nucleus reactions suggest that complete fusion accounts for (41±5%) of the total reaction cross section extracted from optical model analysis of the elastic scattering data, and that 3He and 4He stripping are the most populated reaction channels among direct processes. Eventually estimation of incomplete fusion contributions to the 3,4He production cross sections was performed through semi-classical calculations with the code PLATYPUS [3].

  11. Studies of the generation and reactions of gaseous HOCl

    SciTech Connect

    Ennis, C.A.

    1985-01-01

    A new laboratory source of gaseous hypochlorous acid (HOCl) has been developed and applied to studies of several reactions which have potential importance in the chemistry of the stratosphere. The new source is dynamic, whereby HOCl is formed by reaction of Cl/sub 2/ with aqueous CaCO/sub 3/ and used before it equilibrates to form Cl/sub 2/O and H/sub 2/O. Compared to the conventional static preparation of HOCl by Cl/sub 2/O-H/sub 2/O-HOCl equilibration, the dynamic HOCl source has a substantially lower Cl/sub 2/O impurity level and is useful for studies which are otherwise complicated by large interference from Cl/sub 2/O. In two kinetic studies, the room temperature bimolecular rate constants of the reactions of OH + HOCl and H + HOCl were found to be (2.4 +/- 1.2) x 10/sup -13/ and (5.0 +/- 1.4) x 10/sup -12/ cm/sup 3/ molecule/sup -1/ s/sup -1/, respectively. The product distribution in the reaction of Cl + HOCl has been determined in a third investigation; the major reaction channel gives the products Cl/sub 2/ and OH, with a yield of 91% +/- 6% at 298 K. In a fourth investigation, the equilibrium constant (K/sub eq/) of the reaction Cl/sub 2/O + H/sub 2/O = 2 HOCl was determined to be 0.092 +/- 0.011 at 298 K. The results imply that the reactions of OH, H, and Cl with HOCL are not competitive with direct photolysis in the removal of HOCl from the stratosphere.

  12. Preferred modes of decay in nuclear fragmentation

    SciTech Connect

    Aranda, A.; Lopez, J.A.; Wu, Z.

    1997-02-01

    Recent experimental studies show a characteristic energy dependence of the different fragmentation modes in heavy-ion reactions at intermediate energies. In this work we study this dependence and find that, in multifragmentation, just like in low-energy fission, some modes of decay are more probable than the rest. We argue that these high-probability mass partitions are ultimately responsible for the observed energy dependence. {copyright} {ital 1997} {ital The American Physical Society}

  13. A lower fragmentation mass scale in high-redshift galaxies and its implications on giant clumps: a systematic numerical study

    NASA Astrophysics Data System (ADS)

    Tamburello, Valentina; Mayer, Lucio; Shen, Sijing; Wadsley, James

    2015-11-01

    We study the effect of sub-grid physics, galaxy mass, structural parameters and resolution on the fragmentation of gas-rich galaxy discs into massive star-forming clumps. The initial conditions are set up with the aid of the ARGO cosmological hydrodynamical simulation. Blast-wave feedback does not suppress fragmentation, but reduces both the number of clumps and the duration of the unstable phase. Once formed, bound clumps cannot be destroyed by our feedback model. Widespread fragmentation is promoted by high gas fractions and low halo concentrations. Yet giant clumps M > 108 M⊙ lasting several hundred Myr are rare and mainly produced by clump-clump mergers. They occur in massive discs with maximum rotational velocities Vmax > 250 km s-1 at z ˜ 2, at the high-mass end of the observed galaxy population at those redshifts. The typical gaseous and stellar masses of clumps in all runs are in the range ˜107-108 M⊙ for galaxies with disc mass in the range 1010-8 × 1010 M⊙. Clumps sizes are usually in the range 100-400 pc, in agreement with recent clump observations in lensed high-z galaxies. We argue that many of the giant clumps identified in observations are not due to in situ fragmentation, or are the result of blending of smaller structures owing to insufficient resolution. Using an analytical model describing local collapse inside spiral arms, we can predict the characteristic gaseous masses of clumps at the onset of fragmentation (˜3-5 × 107 M⊙) quite accurately, while the conventional Toomre mass overestimates them. Due to their moderate masses, clumps which migrate to the centre have marginal effect on bulge growth.

  14. HCD Fragmentation of Glycated Peptides.

    PubMed

    Keilhauer, Eva C; Geyer, Philipp E; Mann, Matthias

    2016-08-01

    Protein glycation is a concentration-dependent nonenzymatic reaction of reducing sugars with amine groups of proteins to form early as well as advanced glycation (end-) products (AGEs). Glycation is a highly disease-relevant modification but is typically only studied on a few blood proteins. To complement our blood proteomics studies in diabetics, we here investigate protein glycation by higher energy collisional dissociation (HCD) fragmentation on Orbitrap mass spectrometers. We established parameters to most efficiently fragment and identify early glycation products on in vitro glycated model proteins. Retaining standard collision energies does not degrade performance if the most dominant neutral loss of H6O3 is included into the database search strategy. Glycation analysis of the entire HeLa proteome revealed an unexpected intracellular preponderance for arginine over lysine modification in early and advanced glycation (end-) products. Single-run analysis from 1 μL of undepleted and unenriched blood plasma identified 101 early glycation sites as well as numerous AGE sites on diverse plasma proteins. We conclude that HCD fragmentation is well-suited for analyzing glycated peptides and that the diabetic status of patients can be directly diagnosed from single-run plasma proteomics measurements. PMID:27425404

  15. Attractive Bose gas in two dimensions: An analytical study of its fragmentation and collapse

    NASA Astrophysics Data System (ADS)

    Tsatsos, Marios C.

    2014-04-01

    An attractive Bose-Einstein condensate in two spatial dimensions is expected to collapse for supercritical values of the interaction strength. Moreover, it is known that for nonzero quanta of angular momentum and infinitesimal attraction the gas prefers to fragment and distribute its angular momentum over different orbitals. In this work we examine the two-dimensional trapped Bose gas for finite values of attraction and describe the ground state in connection to its angular momentum by theoretical methods that go beyond the standard Gross-Pitaevskii theory. By applying the best-mean-field approach over a variational ansatz whose accuracy has been checked numerically, we derive analytical relations for the energy, the fragmentation of the ground states, and the critical (for collapse) value of the attraction strength as a function of the total angular momentum L.

  16. Feasibility study on a short-pulsed IR wavelength for effective calculus fragmentation

    NASA Astrophysics Data System (ADS)

    Kang, Hyun Wook

    2015-05-01

    Laser-induced lithotripsy has been used for a minimally-invasive surgery to treat kidney-stone disease associated with urinary obstruction. A short-pulsed Tm:YAG laser (λ = 2.01 µm) was developed to improve fragmentation efficiency and was evaluated with a Ho:YAG laser (λ = 2.12 μm) as to its ablation feature and mass removal rate. Application of a train of sub-microsecond pulses with a lower energy at a frequency of 500 Hz created multiple events of cavitation that accompanied strong acoustic transients. During Tm:YAG irradiation, both high light absorption and secondary photomechanical impacts readily fragmented the calculus into small pieces (< 3 mm) and removed them 130 times faster than photothermal Ho:YAG lithotripsy. The proposed short-pulsed Tm:YAG approach may be an effective lithotripter for treating calculus disease.

  17. Computer-aided study of the mechanical behavior of the jaw bone fragments under uniaxial compression

    NASA Astrophysics Data System (ADS)

    Kolmakova, Tatyana V.

    2016-08-01

    The article presents the calculated results of the mechanical behavior of simulative bone mesovolumes under uniaxial compression with their architectonics corresponding to the human jaw bone fragments. The results of the calculation show that changes in the structure and mineral content of the bone fragments can lead to the change of their prevailing deformation response. New effective parameters were introduced to reflect the character of the distribution of stresses and strains in the bone mesovolumes. Implants are to be created and selected to correspond to the offered parameters and longitudinal modulus of elasticity of bone mesovolumes in order to maintain the stress and strain state existing in bone macrovolume during the implantation and in order to avoid bone restructuring through its borderline resorption.

  18. Forest Fragmentation

    EPA Science Inventory

    This indicator describes forest fragmentation in the contiguous United States circa 2001. This information provides a broad, recent picture of the spatial pattern of the nation’s forests and the extent to which they are being broken into smaller patches and pierced or interspe...

  19. Combined FT-Raman spectroscopic and mass spectrometric study of ancient Egyptian sarcophagal fragments.

    PubMed

    Edwards, Howell G M; Stern, Ben; Villar, Susana E Jorge; David, A Rosalie

    2007-02-01

    The application of combined Raman spectroscopic and GC-MS analytical techniques for the characterisation of organic varnish residues from Egyptian Dynastic funerary sarcophagal and cartonnage fragments from the Graeco-Roman period, ca. 2200 BP, is described. The nondestructive use of Raman spectroscopy was initially employed to derive information about the specific location of organic material on the specimens, which were then targeted in specific areas using minimal sampling for GC-MS analysis. In the case of the sarcophagal fragment, a degraded yellow-brown surface treatment was identified as a Pistacia spp. resin; this provides additional evidence for the use of this resin, which has previously been identified in Canaanite transport amphorae, varnishes and "incense" bowls in an Egyptian Late Bronze Age archaeological context. The cartonnage fragment also contained an organic coating for which the Raman spectrum indicated a degradation that was too severe to facilitate identification, but the GC-MS data revealed that it was composed of a complex mixture of fatty acid residues. The combined use of GC-MS and Raman spectroscopy for the characterisation of organic materials in an archaeological context is advocated for minimisation of sampling and restriction to specifically identified targets for museum archival specimens. PMID:16896625

  20. Study of the fragmentation of a displacement cascade in subcascades within the Binary Collision Approximation framework

    SciTech Connect

    Luneville, Laurence; Simone, David; Weber, William J

    2011-01-01

    When a material is subjected to irradiation, many primary defects are cre- ated at the atomic level by sequences of ballistic collision events to form highly disordered regions defined as displacement cascades. The long term evolution of materials under irradiation is dictated by the number and the spatial distribution of the surviving defects in the displacement cascade. The peculiar power law shape of collision cross sections is responsible for the frag- mentation of a displacement cascade into smaller subcascades. However, it remains difficult to define a subcascade. Within the fractal geometry frame- work, we demonstrate in this work that the set of atomic trajectories in a displacement cascade exhibit a fractal behavior. From this analysis, we present a new criterion to describe the fragmentation of a displacement cas- cade and to calculate the distribution and the number of defects from this fragmentation. Such an analysis provides the natural framework to estimate the number of defects created in a displacement cascade to integrate with results of MD simulations. From this defiintion of the fragmentation of a displacement cascade, this work gives some new insights to describe both the primary defects produced in a material under irradiation and then to compare different irradiations performed with different particles.

  1. Dynamic fragmentation of an alumina ceramic subjected to shockless spalling: An experimental and numerical study

    NASA Astrophysics Data System (ADS)

    Zinszner, J. L.; Erzar, B.; Forquin, P.; Buzaud, E.

    2015-12-01

    Ceramic materials are commonly used as protective materials for infantry soldiers and military vehicles. However, during impact, intense fragmentation of the ceramic material is observed. This fragmentation process has to be correctly numerically simulated if one wants to accurately model the dynamic behaviour of the ceramic material during impact. In this work, shockless spalling tests were performed on an alumina ceramic using the high-pulsed power generator (GEPI) equipment. These spalling tests allowed us to master the experimental strain-rate magnitude of the tensile loading applied to the specimen. The spall strength is observed to be rate dependant and the experimental configuration allowed for recovering damaged but unbroken specimen which gives further insights about the fragmentation process initiated in this ceramic material. The collected experimental data has been compared with corresponding numerical simulations conducted with the DFH (Denoual-Forquin-Hild) anisotropic damage model. This modelling approach relies on the description of the main basic micromechanisms activated at high loading rates using physical parameters related to the population of defects that produces multiple cracking in the ceramic material at high strain-rates. Very good agreement was observed between numerical simulations and experimental data in terms of free-surface velocity, size and location of the damaged zones along with crack density in these damaged zones.

  2. Target fragmentation in radiobiology

    NASA Technical Reports Server (NTRS)

    Wilson, John W.; Cucinotta, Francis A.; Shinn, Judy L.; Townsend, Lawrence W.

    1993-01-01

    Nuclear reactions in biological systems produce low-energy fragments of the target nuclei seen as local high events of linear energy transfer (LET). A nuclear-reaction formalism is used to evaluate the nuclear-induced fields within biosystems and their effects within several biological models. On the basis of direct ionization interaction, one anticipates high-energy protons to have a quality factor and relative biological effectiveness (RBE) of unity. Target fragmentation contributions raise the effective quality factor of 10 GeV protons to 3.3 in reasonable agreement with RBE values for induced micronuclei in bean sprouts. Application of the Katz model indicates that the relative increase in RBE with decreasing exposure observed in cell survival experiments with 160 MeV protons is related solely to target fragmentation events. Target fragment contributions to lens opacity given an RBE of 1.4 for 2 GeV protons in agreement with the work of Lett and Cox. Predictions are made for the effective RBE for Harderian gland tumors induced by high-energy protons. An exposure model for lifetime cancer risk is derived from NCRP 98 risk tables, and protraction effects are examined for proton and helium ion exposures. The implications of dose rate enhancement effects on space radiation protection are considered.

  3. Homonuclear and Heteronuclear NMR Studies of a Statherin Fragment Bound to Hydroxyapatite Crystals

    SciTech Connect

    Raghunathan, Vinodhkumar; Gibson, James M.; Goobes, Gil; Popham, Jennifer M.; Louie, Elizabeth; Stayton, Patrick; Drobny, Gary P.

    2006-05-11

    Acidic proteins found in mineralized tissues act as nature's crystal engineers, where they play a key role in promoting or inhibiting the growth of minerals such as hydroxyapatite (HAP), Ca10(PO4)6(OH)2, the main mineral component of bone and teeth. Key to understanding the structural basis of protein-crystal recognition and protein control of hard tissue growth is the nature of interactions between the protein side chains and the crystal surface. In an earlier work we have measured the proximity of the lysine (K6) side chain in an SN-15 peptide fragment of the salivary protein statherin adsorbed to the Phosphorus-rich surface of HAP using solid-state NMR recoupling experiments. 15N(31P) rotational echo double resonance (REDOR) NMR data on the side-chain nitrogen in K6 gave rise to three different models of protein-surface interaction to explain the experimental data acquired. In this work we extend the analysis of the REDOR data by examining the contribution of interactions between surface phosphorus atoms to the observed 15N REDOR decay. We performed 31P-31P recoupling experiments in HAP and (NH4)2HPO4 (DHP) to explore the nature of dipolar coupled 31P spin networks. These studies indicate that extensive networks of dipolar coupled 31P spins can be represented as stronger effective dipolar couplings, the existence of which must be included in the analysis of REDOR data. We carried out 15N(31P) REDOR in the case of DHP to determine how the size of the dephasing spin network influences the interpretation of the REDOR data. Although use of an extended 31P coupled spin network simulates the REDOR data well, a simplified 31P dephasing system composed of two spins with a larger dipolar coupling also simulates the REDOR data and only perturbs the heteronuclear couplings very slightly. The 31P-31P dipolar couplings between phosphorus nuclei in HAP can be replaced by an effective dipolar interaction of 600 Hz between two 31P spins. We incorporated this coupling and

  4. Evidence for Inhibition of Lysozyme Amyloid Fibrillization by Peptide Fragments from Human Lysozyme: A Combined Spectroscopy, Microscopy, and Docking Study.

    PubMed

    Kar, Rajiv K; Gazova, Zuzana; Bednarikova, Zuzana; Mroue, Kamal H; Ghosh, Anirban; Zhang, Ruiyan; Ulicna, Katarina; Siebert, Hans-Christian; Nifantiev, Nikolay E; Bhunia, Anirban

    2016-06-13

    Degenerative diseases, such as Alzheimer's and prion diseases, as well as type II diabetes, have a pathogenesis associated with protein misfolding, which routes with amyloid formation. Recent strategies for designing small-molecule and polypeptide antiamyloid inhibitors are mainly based on mature fibril structures containing cross β-sheet structures. In the present study, we have tackled the hypothesis that the rational design of antiamyloid agents that can target native proteins might offer advantageous prospect to design effective therapeutics. Lysozyme amyloid fibrillization was treated with three different peptide fragments derived from lysozyme protein sequence R(107)-R(115). Using low-resolution spectroscopic, high-resolution NMR, and STD NMR-restrained docking methods such as HADDOCK, we have found that these peptide fragments have the capability to affect lysozyme fibril formation. The present study implicates the prospect that these peptides can also be tested against other amyloid-prone proteins to develop novel therapeutic agents. PMID:27116396

  5. Unified studies of structure and reactions in light unstable nuclei

    NASA Astrophysics Data System (ADS)

    Ito, Makoto

    2016-06-01

    The generalized two-center cluster model (GTCM), which can treat covalent, ionic and atomic configurations in general systems with two inert cores plus valence nucleons, is formulated in the basis of the microscopic cluster model. In this model, the covalent configurations constructed by the molecular orbital (MO) method and the atomic (or ionic) configuration obtained by the valence bonding (VB) method can be described in a consistent manner. GTCM is applied to the light neutron-rich system, 10,12Be = α + α + XN (X = 2,4), and the unified studies of the structural changes and the reaction problem are performed. In the structure study, the calculated energy levels are characterized in terms of the chemical bonding like structures, such as the covalent MO or ionic VB structures. The chemical bonding structures changes from level to level within a small energy interval. In the unbound region, the structure problem with the total system of α + α + XN and the reaction problem, induced by the collision of an asymptotic VB state of α+6,8He, are combined by GTCM. The properties of unbound resonant states are discussed in a close connection to the reaction mechanism, and some enhancement factors originated from the properties of the intrinsic states are predicted in the reaction observables. The unified calculation of the structures and the reactions is applied to the Coulomb shift problem in the mirror system, such the 10Be and 10C nuclei. The Coulomb displacement energy of the mirror systems are discussed.

  6. Hydration effects on enzyme-substrate complex of nylon oligomer hydrolase: inter-fragment interaction energy study by the fragment molecular orbital method

    NASA Astrophysics Data System (ADS)

    Ando, Hiroyuki; Shigeta, Yasuteru; Baba, Takeshi; Watanabe, Chiduru; Okiyama, Yoshio; Mochizuki, Yuji; Nakano, Masayoshi

    2015-02-01

    Fragment molecular orbital calculations were successfully applied to a nylon oligomer hydrolase, NylB, to investigate the hydration effects on an enzyme-substrate binding structure. Statistically corrected inter-fragment interaction energy analyses were performed on this system to quantitatively characterise the interactions between the substrate, 6-aminohexanoate linear dimer (ALD), and the amino acid residues, such as Asp181, Ser112, and Ile 345, which are regarded as important for enzyme-substrate complex formation by NylB. We found that the direct interaction between ALD and NylB is weakened by hydration, because water molecules cause charge translation or polarisation of ALD or each amino acid residue. However, including the interaction energy between ALD and water molecules greatly stabilises this complex. These results indicate the importance of the hydration effects in enzyme-substrate complex formation.

  7. Computational Studies on Cinchona Alkaloid-Catalyzed Asymmetric Organic Reactions.

    PubMed

    Tanriver, Gamze; Dedeoglu, Burcu; Catak, Saron; Aviyente, Viktorya

    2016-06-21

    Remarkable progress in the area of asymmetric organocatalysis has been achieved in the last decades. Cinchona alkaloids and their derivatives have emerged as powerful organocatalysts owing to their reactivities leading to high enantioselectivities. The widespread usage of cinchona alkaloids has been attributed to their nontoxicity, ease of use, stability, cost effectiveness, recyclability, and practical utilization in industry. The presence of tunable functional groups enables cinchona alkaloids to catalyze a broad range of reactions. Excellent experimental studies have extensively contributed to this field, and highly selective reactions were catalyzed by cinchona alkaloids and their derivatives. Computational modeling has helped elucidate the mechanistic aspects of cinchona alkaloid catalyzed reactions as well as the origins of the selectivity they induce. These studies have complemented experimental work for the design of more efficient catalysts. This Account presents recent computational studies on cinchona alkaloid catalyzed organic reactions and the theoretical rationalizations behind their effectiveness and ability to induce selectivity. Valuable efforts to investigate the mechanisms of reactions catalyzed by cinchona alkaloids and the key aspects of the catalytic activity of cinchona alkaloids in reactions ranging from pharmaceutical to industrial applications are summarized. Quantum mechanics, particularly density functional theory (DFT), and molecular mechanics, including ONIOM, were used to rationalize experimental findings by providing mechanistic insights into reaction mechanisms. B3LYP with modest basis sets has been used in most of the studies; nonetheless, the energetics have been corrected with higher basis sets as well as functionals parametrized to include dispersion M05-2X, M06-2X, and M06-L and functionals with dispersion corrections. Since cinchona alkaloids catalyze reactions by forming complexes with substrates via hydrogen bonds and long

  8. National Array of Neutron Detectors (NAND): A versatile tool for nuclear reaction studies

    NASA Astrophysics Data System (ADS)

    Golda, K. S.; Jhingan, A.; Sugathan, P.; Singh, Hardev; Singh, R. P.; Behera, B. R.; Mandal, S.; Kothari, A.; Gupta, Arti; Zacharias, J.; Archunan, M.; Barua, P.; Venkataramanan, S.; Bhowmik, R. K.; Govil, I. M.; Datta, S. K.; Chatterjee, M. B.

    2014-11-01

    The first phase of the National Array of Neutron Detectors (NAND) consisting of 26 neutron detectors has been commissioned at the Inter University Accelerator Centre (IUAC), New Delhi. The motivation behind setting up of such a detector system is the need for more accurate and efficient study of reaction mechanisms in the projectile energy range of 5-8 MeV/n using heavy ion beams from a 15 UD Pelletron and an upgraded LINAC booster facility at IUAC. The above detector array can be used for inclusive as well as exclusive measurements of reaction products of which at least one product is a neutron. While inclusive measurements can be made using only the neutron detectors along with the time of flight technique and a pulsed beam, exclusive measurements can be performed by detecting neutrons in coincidence with charged particles and/or fission fragments detected with ancillary detectors. The array can also be used for neutron tagged gamma-ray spectroscopy in (HI, xn) reactions by detecting gamma-rays in coincidence with the neutrons in a compact geometrical configuration. The various features and the performance of the different aspects of the array are described in the present paper.

  9. A tandem mass spectrometric study of bile acids: interpretation of fragmentation pathways and differentiation of steroid isomers.

    PubMed

    Qiao, Xue; Ye, Min; Liu, Chun-fang; Yang, Wen-zhi; Miao, Wen-juan; Dong, Jing; Guo, De-an

    2012-02-01

    Bile acids are steroids with a pentanoic acid substituent at C-17. They are the terminal products of cholesterol excretion, and play critical physiological roles in human and animals. Bile acids are easy to detect but difficult to identify by using mass spectrometry due to their poly-ring structure and various hydroxylation patterns. In this study, fragmentation pathways of 18 free and conjugated bile acids were interpreted by using tandem mass spectrometry. The analyses were conducted on ion trap and triple quadrupole mass spectrometers. Upon collision-induced dissociation, the conjugated bile acids could cleave into glycine or taurine related fragments, together with the steroid skeleton. Fragmentations of free bile acids were further elucidated, especially by atmospheric pressure chemical ionization mass spectrometry in positive ion mode. Aside from universally observed neutral losses, eliminations occurred on bile acid carbon rings were proposed for the first time. Moreover, four isomeric 5β-cholanic acid hydroxyl derivatives (3α,6α-, 3α,7β-, 3α,7α-, and 3α,12α-) were differentiated using electrospray ionization in negative ion mode: 3α,7β-OH substituent inclined to eliminate H(2)O and CH(2)O(2) groups; 3α,6α-OH substituent preferred neutral loss of two H(2)O molecules; 3α,12α-OH substituent apt to lose the carboxyl in the form of CO(2) molecule; and 3α,7α-OH substituent exhibited no further fragmentation after dehydration. This study provided specific interpretation for mass spectra of bile acids. The results could contribute to bile acid analyses, especially in clinical assays and metabonomic studies. PMID:22133544

  10. A Study of Illinois Employer Reactions to Training Credentials.

    ERIC Educational Resources Information Center

    Adams, Frank G.; And Others

    A study was conducted in summer 1982 by Project REA to provide employment skill training operators and educators in Illinois with information about the reactions, attitudes, and beliefs of employers toward various forms of accreditation of training, i.e., academic credit, nonacademic credit, certificates, degrees, diplomas, and licenses. The study…

  11. Theoretical studies of the dynamics of chemical reactions

    SciTech Connect

    Wagner, A.F.

    1993-12-01

    Recent research effort has focussed on several reactions pertinent to combustion. The formation of the formyl radical from atomic hydrogen and carbon monoxide, recombination of alkyl radicals and halo-alkyl radicals with halogen atoms, and the thermal dissociation of hydrogen cyanide and acetylene have been studied by modeling. In addition, the inelastic collisions of NCO with helium have been investigated.

  12. Study of Cold Potassium Atom - Calcium Ion Reactions

    NASA Astrophysics Data System (ADS)

    Egodapitiya, Kisra; Gang, Shu; Clark, Robert; Brown, Kenneth

    2016-05-01

    We report on our progress towards constructing a hybrid system for studying reactions between cold Potassium (K) atoms and cold Calcium (Ca+) ions. Ca+ ions will be trapped and Doppler-cooled inside a linear quadrupole ion trap. Cold K atoms will be created inside a magneto optical trap, such that the ion and the atoms are in an overlapping volume. Trapping and re-pumping beams for the Potassium MOT are derived from the same laser with wavelength 766 nm using two acousto optic modulators. The reaction products will be detected using a time-of- flight mass spectrometer that is designed to detect radially ejected ions. The main objective of this experiment is to study the rate coefficients, and identification of reaction channels between cold K atoms and Ca+ ions. Subsequently this setup will be used to study reactions between cold K atoms and sympathetically cooled molecular ions such as CaO+, and to study internal state quenching of molecular ions.

  13. Emotional Reactions of Students in Field Education: An Exploratory Study

    ERIC Educational Resources Information Center

    Litvack, Andrea; Mishna, Faye; Bogo, Marion

    2010-01-01

    An exploratory study using qualitative methodology was undertaken with recent MSW graduates (N=12) from 2 graduate social work programs to identify and describe the students' emotional reactions to experiences in field education. Significant and interrelated themes emerged including the subjective and unique definitions of emotionally charged…

  14. Study of Daedalus Interstellar Spacecraft Reaction Chamber and Thrust Structure

    NASA Astrophysics Data System (ADS)

    Reddy, S. K.; Benaroya, H.

    Project Daedalus was the 1978 trade study that proved the feasibility of space travel utilizing fusion-based propulsion (Inertial Confinement Fusion). This paper analyzes some of the key structural aspects of the Daedalus spacecraft, in particular, the reaction chamber and thrust structure that is integral to the Daedalus spacecraft, which supports the loads resulting from the fusion reactions. First, the reaction chamber is studied computationally in terms of static loading and vibrational characteristics utilizing the finite element method. Next, a proposed bracing system is integrated into the reaction chamber and the effects are studied. Lastly, the field coils with their supporting truss structure are added to the assembly. Concepts are introduced for actuators and course-correction mechanisms that ensure the spacecraft maintains the required trajectory to rendezvous with the target system. Present-day materials and manufacturing considerations are explored based on the assumptions made in the Daedalus study. Testing, qualification, and assembly of the spacecraft are also discussed. This paper is a summary of the first author's Master's Thesis at Rutgers University.

  15. Kinetic studies of cascade reactions in high-throughput systems.

    PubMed

    Iron, David; Boelens, Hans F M; Westerhuis, Johan A; Rothenberg, Gadi

    2003-12-01

    The application of robotic systems to the study of complex reaction kinetics is considered, using the cascade reaction A --> B --> C as a working example. Practical problems in calculating the rate constants k1 and k2 for the reactions A --> B and B --> C from concentration measurements of CA, CB, or CC are discussed in the light of the symmetry and invertability of the rate equations. A D-optimal analysis is used to determine the points in time and the species that will give the best (i.e., most accurate) results. When exact data are used, the most robust solution results from measuring the pair of concentrations (CA, CC). The system's information function is computed using numeric methods. This function is then used to estimate the amount of information obtainable from a given cascade reaction at any given time. The theoretical findings are compared with experimental results from a set of two-stage cascade experiments monitored using UV-visible spectroscopy. Finally, the pros and cons of using a single reaction sample to estimate both k1 and k2 are discussed. PMID:16465720

  16. Toluene pyrolysis studies and high temperature reactions of propargyl chloride

    SciTech Connect

    Kern, R.D.; Chen, H.; Qin, Z.

    1993-12-01

    The main focus of this program is to investigate the thermal decompositions of fuels that play an important role in the pre-particle soot formation process. It has been demonstrated that the condition of maximum soot yield is established when the reaction conditions of temperature and pressure are sufficient to establish a radical pool to support the production of polyaromatic hydrocarbon species and the subsequent formation of soot particles. However, elevated temperatures result in lower soot yields which are attributed to thermolyses of aromatic ring structures and result in the bell-shaped dependence of soot yield on temperature. The authors have selected several acyclic hydrocarbons to evaluate the chemical thermodynamic and kinetic effects attendant to benzene formation. To assess the thermal stability of the aromatic ring, the authors have studied the pyrolyses of benzene, toluene, ethylbenzene, chlorobenzene and pyridine. Time-of-flight mass spectrometry (TOF) is employed to analyze the reaction zone behind reflected shock waves. Reaction time histories of the reactants, products, and intermediates are constructed and mechanisms are formulated to model the experimental data. The TOF work is often performed with use of laser schlieren densitometry (LS) to measure density gradients resulting from the heats of various reactions involved in a particular pyrolytic system. The two techniques, TOF and LS, provide independent and complementary information about ring formation and ring rupture reactions.

  17. A model study of sequential enzyme reactions and electrostatic channeling

    NASA Astrophysics Data System (ADS)

    Eun, Changsun; Kekenes-Huskey, Peter M.; Metzger, Vincent T.; McCammon, J. Andrew

    2014-03-01

    We study models of two sequential enzyme-catalyzed reactions as a basic functional building block for coupled biochemical networks. We investigate the influence of enzyme distributions and long-range molecular interactions on reaction kinetics, which have been exploited in biological systems to maximize metabolic efficiency and signaling effects. Specifically, we examine how the maximal rate of product generation in a series of sequential reactions is dependent on the enzyme distribution and the electrostatic composition of its participant enzymes and substrates. We find that close proximity between enzymes does not guarantee optimal reaction rates, as the benefit of decreasing enzyme separation is countered by the volume excluded by adjacent enzymes. We further quantify the extent to which the electrostatic potential increases the efficiency of transferring substrate between enzymes, which supports the existence of electrostatic channeling in nature. Here, a major finding is that the role of attractive electrostatic interactions in confining intermediate substrates in the vicinity of the enzymes can contribute more to net reactive throughput than the directional properties of the electrostatic fields. These findings shed light on the interplay of long-range interactions and enzyme distributions in coupled enzyme-catalyzed reactions, and their influence on signaling in biological systems.

  18. Theoretical Chemical Dynamics Studies of Elementary Combustion Reactions

    SciTech Connect

    Donald L. Thompson

    2006-04-27

    The purpose of this research was the development and application of theoretical/computational methods for accurate predictions of the rates of reactions in many-atom systems. The specific aim was to improve computational methods for studying the chemical dynamics of large, complex systems and to obtain a better understanding of the chemical reactions involving large polyatomic molecules and radicals. The focus was on the development an automatic potential energy surface generation algorithm that takes advantage of high-performance computing environments; e.g., software for rate calculations that direct quantum chemistry codes to produce ab initio predictions of reaction rates and related dynamics quantities. Specifically, we developed interpolative moving least-squares (IMLS) methods for accurately fitting ab initio energies to provide global PESs and for use in direct dynamics simulations.

  19. Sum Frequency Generation Studies of Hydrogenation Reactions on Platinum Nanoparticles

    SciTech Connect

    Krier, James M.

    2013-08-31

    Sum Frequency Generation (SFG) vibrational spectroscopy is used to characterize intermediate species of hydrogenation reactions on the surface of platinum nanoparticle catalysts. In contrast to other spectroscopy techniques which operate in ultra-high vacuum or probe surface species after reaction, SFG collects information under normal conditions as the reaction is taking place. Several systems have been studied previously using SFG on single crystals, notably alkene hydrogenation on Pt(111). In this thesis, many aspects of SFG experiments on colloidal nanoparticles are explored for the first time. To address spectral interference by the capping agent (PVP), three procedures are proposed: UV cleaning, H2 induced disordering and calcination (core-shell nanoparticles). UV cleaning and calcination physically destroy organic capping while disordering reduces SFG signal through a reversible structural change by PVP.

  20. Studying Nuclear Level Densities of 238U in the Nuclear Reactions within the Macroscopic Nuclear Models

    NASA Astrophysics Data System (ADS)

    Razavi, Rohallah; Rahmatinejad, Azam; Kakavand, Tayeb; Taheri, Fariba; Aghajani, Maghsood; Khooy, Asghar

    2016-02-01

    In this work the nuclear level density parameters of 238U have been extracted in the back-shifted Fermi gas model (BSFGM), as well as the constant temperature model (CTM), through fitting with the recent experimental data on nuclear level densities measured by the Oslo group. The excitation functions for 238U(p,2nα)233Pa, and 238U(p,4n)235Np reactions and the fragment yields for the fragments of the 238U(p,f) reaction have been calculated using obtained level density parameters. The results are compared to their corresponding experimental values. It was found that the extracted excitation functions and the fragment yields in the CTM coincide well with the experimental values in the low-energy region. This finding is according to the claim made by the Oslo group that the extracted level densities of 238U show a constant temperature behaviour.

  1. Angular correlations of projectilelike and fission fragments in the reaction [sup 16]O+[sup 238]U at 110 MeV

    SciTech Connect

    Pagano, A.; Aiello, S.; De Filippo, E.; Lanzano, G.; Lo Nigro, S.; Milone, C. ); Mermaz, M.C. )

    1994-08-01

    In-plane and out-of-plane angular correlations of fission fragments detected in coincidence with projectilelike residues produced in the nuclear collisions [sup 16]O+[sup 238]U at 110 MeV have been investigated. The data present the essential features of a targetlike sequential fission process. A quantitative description of the experimental angular anisotropies requires the storage in the fissioning nucleus of a mean angular momentum in agreement with a dominant mass transfer mechanism.

  2. 3D-QSAR and molecular fragment replacement study on diaminopyrimidine and pyrrolotriazine ALK inhibitors

    NASA Astrophysics Data System (ADS)

    Ke, Zhipeng; Lu, Tao; Liu, Haichun; Yuan, Haoliang; Ran, Ting; Zhang, Yanmin; Yao, Sihui; Xiong, Xiao; Xu, Jinxing; Xu, Anyang; Chen, Yadong

    2014-06-01

    Over expression of anaplastic lymphoma kinase (ALK) has been found in many types of cancer, and ALK is a promising therapeutic target for the treatment of cancer. To obtain new potent inhibitors of ALK, we conducted lead optimization using 3D-QSAR modeling and molecular docking investigation of 2,4-diaminopyrimidines and 2,7-disubstituted-pyrrolo[2,1-f][1,2,4]triazine-based compounds. Three favorable 3D-QSAR models (CoMFA with q2, 0.555; r2, 0.939; CoMSIA with q2, 0.625; r2, 0.974; Topomer CoMFA with q2, 0.557; r2 0.756) have been developed to predict the biological activity of novel compounds. Topomer Search was utilized for virtual screening to obtain suitable fragments. The novel compounds generated by molecular fragment replacement (MFR) were evaluated by Topomer CoMFA prediction, Glide (docking) and further evaluated with CoMFA and CoMSIA prediction. 25 novel 2,7-disubstituted-pyrrolo[2,1-f][1,2,4]triazine derivatives as potential ALK inhibitors were finally obtained. In this paper, a combination of CoMFA, CoMSIA and Topomer CoMFA could obtain favorable 3D-QSAR models and suitable fragments for ALK inhibitors optimization. The work flow which comprised 3D-QSAR modeling, Topomer Search, MFR, molecular docking and evaluating criteria could be applied to de novo drug design and the resulted compounds initiate us to further optimize and design new potential ALK inhibitors.

  3. Aminoindazole PDK1 Inhibitors: A Case Study in Fragment-Based Drug Discovery

    SciTech Connect

    Medina, Jesus R.; Blackledge, Charles W.; Heerding, Dirk A.; Campobasso, Nino; Ward, Paris; Briand, Jacques; Wright, Lois; Axten, Jeffrey M.

    2012-05-29

    Fragment screening of phosphoinositide-dependent kinase-1 (PDK1) in a biochemical kinase assay afforded hits that were characterized and prioritized based on ligand efficiency and binding interactions with PDK1 as determined by NMR. Subsequent crystallography and follow-up screening led to the discovery of aminoindazole 19, a potent leadlike PDK1 inhibitor with high ligand efficiency. Well-defined structure-activity relationships and protein crystallography provide a basis for further elaboration and optimization of 19 as a PDK1 inhibitor.

  4. Cutaneous hypersensitivity reactions to freshwater cyanobacteria – human volunteer studies

    PubMed Central

    Stewart, Ian; Robertson, Ivan M; Webb, Penelope M; Schluter, Philip J; Shaw, Glen R

    2006-01-01

    Background Pruritic skin rashes associated with exposure to freshwater cyanobacteria are infrequently reported in the medical and scientific literature, mostly as anecdotal and case reports. Diagnostic dermatological investigations in humans are also infrequently described. We sought to conduct a pilot volunteer study to explore the potential for cyanobacteria to elicit hypersensitivity reactions. Methods A consecutive series of adult patients presenting for diagnostic skin patch testing at a hospital outpatient clinic were invited to participate. A convenience sample of volunteers matched for age and sex was also enrolled. Patches containing aqueous suspensions of various cyanobacteria at three concentrations were applied for 48 hours; dermatological assessment was made 48 hours and 96 hours after application. Results 20 outpatients and 19 reference subjects were recruited into the study. A single outpatient produced unequivocal reactions to several cyanobacteria suspensions; this subject was also the only one of the outpatient group with a diagnosis of atopic dermatitis. No subjects in the reference group developed clinically detectable skin reactions to cyanobacteria. Conclusion This preliminary clinical study demonstrates that hypersensitivity reactions to cyanobacteria appear to be infrequent in both the general and dermatological outpatient populations. As cyanobacteria are widely distributed in aquatic environments, a better appreciation of risk factors, particularly with respect to allergic predisposition, may help to refine health advice given to people engaging in recreational activities where nuisance cyanobacteria are a problem. PMID:16584576

  5. Tube Fragmentation of Multiple Materials

    SciTech Connect

    Thornhill, T. F.; Chhabildas, L. C.; Vogler, T. J.

    2006-07-28

    In the current study we are developing an experimental fracture material property test method specific to dynamic fragmentation. This test method allows the study of fracture fragmentation in a reproducible laboratory environment under well-controlled loading conditions. Motion and fragmentation of the specimen are diagnosed using framing camera, VISAR and soft recovery methods. Fragmentation properties of several steels, nitinol, tungsten alloy, copper, aluminum, and titanium have been obtained to date. The values for fragmentation toughness, and failure threshold will be reported, as well as effects in these values as the material strain-rate is varied through changes in wall thickness and impact conditions.

  6. Tube fragmentation of multiple materials.

    SciTech Connect

    Thornhill, Tom Finley, III; Vogler, Tracy John; Chhabildas, Lalit Chandra

    2003-07-01

    In the current study we are developing an experimental fracture material property test method specific to dynamic fragmentation. This test method allows the study of fracture fragmentation in a reproducible laboratory environment under well-controlled loading conditions. Motion and fragmentation of the specimen are diagnosed using framing camera, VISAR and soft recovery methods. Fragmentation properties of several steels, nitinol, tungsten alloy, copper, aluminum, and titanium have been obtained to date. The values for fragmentation toughness, and failure threshold will be reported, as well as effects in these values as the material strain-rate is varied through changes in wall thickness and impact conditions.

  7. Low Mass MS/MS Fragments of Protonated Amino Acids Used for Distinction of Their 13C- Isotopomers in Metabolic Studies

    NASA Astrophysics Data System (ADS)

    Ma, Xin; Dagan, Shai; Somogyi, Árpád; Wysocki, Vicki H.; Scaraffia, Patricia Y.

    2013-04-01

    Glu, Gln, Pro, and Ala are the main amino acids involved in ammonia detoxification in mosquitoes. In order to develop a tandem mass spectrometry method (MS2) to monitor each carbon of the above isotopically-labeled 13C-amino acids for metabolic studies, the compositions and origins of atoms in fragments of the protonated amino acid should be first elucidated. Thus, various electrospray (ESI)-based MS2 tools were employed to study the fragmentation of these unlabeled and isotopically-labeled amino acids and better understand their dissociation pathways. A broad range of fragments, including previously-undescribed low m/z fragments was revealed. The formulae of the fragments (from m/z 130 down to m/z 27) were confirmed by their accurate masses. The structures and conformations of the larger fragments of Glu were also explored by ion mobility mass spectrometry (IM-MS) and gas-phase hydrogen/deuterium exchange (HDX) experiments. It was found that some low m/z fragments ( m/z 27-30) are common to Glu, Gln, Pro, and Ala. The origins of carbons in these small fragments are discussed and additional collision induced dissociation (CID) MS2 fragmentation pathways are proposed for them. It was also found that small fragments (≤ m/z 84) of protonated, methylated Glu, and methylated Gln are the same as those of the underivatized Glu and Gln. Taken together, the new approach of utilizing low m/z fragments can be applied to distinguish, identify, and quantify 13C-amino acids labeled at various positions, either in the backbone or side chain.

  8. Reaction mechanism studies of unsaturated molecules using photofragment translational spectroscopy

    SciTech Connect

    Longfellow, C.A. |

    1996-05-01

    A number of molecules have been studied using the technique of photofragment translational spectroscopy. In Chapter One a brief introduction to the experimental technique is given. In Chapter Two the infrared multiphoton dissociation (IRMPD) of acetic acid is discussed. Carbon dioxide and methane were observed for the first time as products from dissociation under collisionless conditions. Chapter Three relates an IRMPD experiment of hexafluoropropene. The predominant channel produces CFCF{sub 3} or C{sub 2}F{sub 4} and CF{sub 2}, with the heavier species undergoing further dissociation to two CF{sub 2} fragments. In Chapter Four the ultraviolet (UV) dissociation of hexafluoropropene is investigated. Chapter Five explores the IRMPD of octafluoro-1-butene and octafluoro-2-butene.

  9. Fragmentation of Allylmethylsulfide by Chemical Ionization: Dependence on Humidity and Inhibiting Role of Water

    PubMed Central

    2013-01-01

    We report on a previously unknown reaction mechanism involving water in the fragmentation reaction following chemical ionization. This result stems from a study presented here on the humidity-dependent and energy-dependent endoergic fragmentation of allyl methyl sulfide (AMS) upon protonation in a proton transfer reaction-mass spectrometer (PTR-MS). The fragmentation pathways were studied with experimental (PTR-MS) and quantum chemical methods (polarizable continuum model (PCM), microhydration, studied at the MP2/6-311+G(3df,2p)//MP2/6-31G(d,p) level of theory). We report in detail on the energy profiles, reaction mechanisms, and proton affinities (G4MP2 calculations). In the discovered reaction mechanism, water reduces the fragmentation of protonated species in chemical ionization. It does so by direct interaction with the protonated species via covalent binding (C3H5+) or via association (AMS·H+). This stabilizes intermediate complexes and thus overall increases the activation energy for fragmentation. Water thereby acts as a reusable inhibitor (anticatalyst) in chemical ionization. Moreover, according to the quantum chemical (QC) results, when water is present in abundance it has the opposite effect and enhances fragmentation. The underlying reason is a concentration-dependent change in the reaction principle from active inhibition of fragmentation to solvation, which then enhances fragmentation. This amphoteric behavior of water is found for the fragmentation of C3H5+ to C3H3+, and similarly for the fragmentation of AMS·H+ to C3H5+. The results support humidity-dependent quantification efforts for PTR-MS and chemical ionization mass spectrometry (CIMS). Moreover, the results should allow for a better understanding of ion-chemistry in the presence of water. PMID:23682687

  10. Molecular beams studies of the energetics and dynamics of elementary chemical reactions

    SciTech Connect

    Hayden, C.C.

    1982-05-01

    Quantum mechanical effects on the angular distribution of HF products from the F + H/sub 2/ reaction were studied using crossed atomic and molecular beams with a rotatable mass spectrometer detector and time-of-flight velocity analysis. Measurement of the singlet-triplet splitting of CH/sub 2/ from the recoil velocities of fragments from ketene photodissociation in a molecular beam is also reported. Partial center-of-mass angular distributions, and velocity flux contour maps have been derived for individual vibrational states of the HF product from the F + H/sub 2/ reaction at collision energies of 2 and 3 kcal/mole. The center-of-mass distributions were obtained by analysis of laboratory angular and time-of-flight measurements of the reactive scattering. The results are consistent with recent three dimensional quantum mechanical scattering calculations, which predict that resonance effects should appear in the product angular distributions in this energy range. The photofragmentation of ketene in a molecular beam was used to measure the singlet-triplet splitting in CH/sub 2/. A rare gas halide excimer laser operating at 351 nm (XeF) and 308 nm (XeCl) dissociated the ketene. Time-of-flight measurements of the fragment velocities allowed determination of the energetics of the dissociation. The /sup 1/A/sub 1/ - /sup 3/B/sub 1/ splitting in CH/sub 2/ was found to be 8.5 +- 0.8 kcal/mole. This agrees with many experimental results, but not with the value of 19.5 kcal/mole derived from recent photodetachment experiments on CH/sub 2//sup -/.

  11. [Electromagnetic studies of nuclear structure and reactions]. Progress summary

    SciTech Connect

    Not Available

    1992-12-31

    The experimental goals are focused on developing an understanding of strong interactions and the structure of hadronic systems by determination of the electromagnetic response; these goals will be accomplished through coincidence detection of final states. Nuclear modeling objectives are to organize and interpret the data through a consistent description of a broad spectrum of reaction observables; calculations are performed in a nonrelativistic diagrammatic framework as well as a relativistic QHD approach. Work is described according to the following arrangement: direct knockout reactions (completion of {sup 16}O(e,e{prime}p), {sup 12}C(e,e{prime}pp) progress, large acceptance detector physics simulations), giant resonance studies (intermediate-energy experiments with solid-state detectors, the third response function in {sup 12}C(e,e{prime}p{sub 0}) and {sup 16}O(e,e{prime}p{sub 0}), comparison of the {sup 12}C(e, e{prime}p{sub 0}) and {sup 16}O(e,e{prime}p{sub 3}) reactions, quadrupole strength in the {sup 16}O(e,e{prime}{alpha}{sub 0}) reaction, quadrupole strength in the {sup 12}C(e,e{prime}{alpha}) reaction, analysis of the {sup 12}C(e,e{prime}p{sub 1}) and {sup 16}O(e,e{prime}p{sub 3}) angular distributions, analysis of the {sup 40}Ca(e,e{prime}x) reaction at low q, analysis of the higher-q {sup 12}C(e,e{prime}x) data from Bates), models of nuclear structure (experimental work, Hartree-Fock calculations, phonon excitations in spherical nuclei, shell model calculations, variational methods for relativistic fields), and instrumentation development efforts (developments at CEBAF, CLAS contracts, BLAST developments).

  12. Lamellar spacing of photosystem II membrane fragments upon dehydration studied by neutron membrane diffraction

    NASA Astrophysics Data System (ADS)

    Pieper, Jörg; Rusevich, Leonid; Hauß, Thomas; Renger, Gernot

    2016-02-01

    The effect of dehydration on the lamellar spacing of photosystem II (PS II) membrane fragments from spinach has been investigated using neutron membrane diffraction at room temperature. The diffraction data reveal a major peak at a scattering vector Q of 0.049 Å-1 at a relative humidity (r.h.) of 90% corresponding to a repeat distance D of about 129 Å. Upon dehydration to 44% r.h., this peak shifts to about 0.060 Å-1 corresponding to a distance of 104.7±2.5 Å. Within experimental error, the latter repeat distance remains almost the same at hydration levels below 44% r.h. indicating that most of the hydration water is removed. This result is consistent with the earlier finding that hydration-induced conformational protein motions in PS II membrane fragments are observed above 44% r.h. and correlated with the onset electron transfer in PS II (Pieper et al. 2008, Eur. Biophys. J. 37: 657-663).

  13. Lamellar spacing of photosystem II membrane fragments upon dehydration studied by neutron membrane diffraction

    NASA Astrophysics Data System (ADS)

    Pieper, Jörg; Rusevich, Leonid; Hauß, Thomas; Renger, Gernot

    2015-12-01

    The effect of dehydration on the lamellar spacing of photosystem II (PS II) membrane fragments from spinach has been investigated using neutron membrane diffraction at room temperature. The diffraction data reveal a major peak at a scattering vector Q of 0.049 Å-1 at a relative humidity (r.h.) of 90% corresponding to a repeat distance D of about 129 Å. Upon dehydration to 44% r.h., this peak shifts to about 0.060 Å-1 corresponding to a distance of 104.7±2.5 Å. Within experimental error, the latter repeat distance remains almost the same at hydration levels below 44% r.h. indicating that most of the hydration water is removed. This result is consistent with the earlier finding that hydration-induced conformational protein motions in PS II membrane fragments are observed above 44% r.h. and correlated with the onset electron transfer in PS II (Pieper et al. 2008, Eur. Biophys. J. 37: 657-663).

  14. Light Nuclei Studied with Nucleon Transfer Reactions Using Exotic Beams

    SciTech Connect

    Wuosmaa, A. H.; Rehm, K. E.; Greene, J. P.; Henderson, D. J.; Janssens, R. V. F.; Jiang, C. L.; Moore, E. F.; Pardo, R. C.; Peterson, D.; Pieper, S. C.; Savard, G.; Schiffer, J. P.; Sinha, S.; Tang, X.; Wiringa, R. B.; Jisonna, L.; Segel, R. E.; Paul, M.

    2006-04-26

    Single-neutron transfer with the (d,p) reaction in inverse kinematics has been used to study the properties of the light nuclei 9Li and 7He. The results for 9Li and 7He are compared to the predictions of ab-initio models of nuclear structure. Different possibilities for excited states in 7He are discussed in the context of other recent experimental studies of 7He.

  15. Double photoionization of SO 2 and fragmentation spectroscopy of SO 2++ studied by a photoion-photoion coincidence method

    NASA Astrophysics Data System (ADS)

    Dujardin, Gérald; Leach, Sydney; Dutuit, Odile; Guyon, Paul-Marie; Richard-Viard, Martine

    1984-08-01

    Doubly charged sulphur dioxide cations (SO 2++) are produced by photoionization with synchrotron radiation from ACO in the excitation-energy range 34-54 eV. A new photoion-photoion coincidence (PIPICO) experiment is described in which coincidences between photoion fragments originating from the dissociation of the doubly charged parent cation are counted. This PIPICO method enables us to study the fragmentation of individual electronically excited states of SO 2++ and to determine the corresponding absolute double-photoionization partial cross sections as a function of the excitation energy. A tentative assignment of the three observed α, β and γ SO 2++ states is given. The dissociation processes of the α and β states into the products SO + + O + are found to be non-statistical in nature; the γ state dissociates completely into three atomic fragments S + + O + + O. Three main observed features of the double-photoionization cross-section curves are discussed in the text: appearance potentials, linear threshold laws, and constant double-photoionization cross sections relative to the total ionization cross section at high energies.

  16. A comparative study on genetic effects of artificial and natural habitat fragmentation on Loropetalum chinense (Hamamelidaceae) in Southeast China

    PubMed Central

    Yuan, N; Comes, H P; Cao, Y N; Guo, R; Zhang, Y H; Qiu, Y X

    2015-01-01

    Elucidating the demographic and landscape features that determine the genetic effects of habitat fragmentation has become fundamental to research in conservation and evolutionary biology. Land-bridge islands provide ideal study areas for investigating the genetic effects of habitat fragmentation at different temporal and spatial scales. In this context, we compared patterns of nuclear microsatellite variation between insular populations of a shrub of evergreen broad-leaved forest, Loropetalum chinense, from the artificially created Thousand-Island Lake (TIL) and the Holocene-dated Zhoushan Archipelago of Southeast China. Populations from the TIL region harboured higher levels of genetic diversity than those from the Zhoushan Archipelago, but these differences were not significant. There was no correlation between genetic diversity and most island features, excepting a negative effect of mainland–island distance on allelic richness and expected heterozygosity in the Zhoushan Archipelago. In general, levels of gene flow among island populations were moderate to high, and tests of alternative models of population history strongly favoured a gene flow-drift model over a pure drift model in each region. In sum, our results showed no obvious genetic effects of habitat fragmentation due to recent (artificial) or past (natural) island formation. Rather, they highlight the importance of gene flow (most likely via seed) in maintaining genetic variation and preventing inter-population differentiation in the face of habitat ‘insularization' at different temporal and spatial scales. PMID:25515015

  17. Synthesis and mass spectrometry studies of branched oxime ether libraries. Mapping the substitution motif via linker stability and fragmentation pattern.

    PubMed

    Nazarpack-Kandlousy, Noureddin; Nelen, Marina I; Goral, Vasiliy; Eliseev, Alexey V

    2002-01-11

    The oxime ether chemistry has recently been used as a convenient approach to preparing potentially highly diverse combinatorial libraries. The synthetically easiest way to form the libraries is convergent, i.e., via reaction of a branched scaffold containing two or more aminooxy linker groups, with a variety of carbonyl substituents. We show here that such reactions between aldehydes and ketones of different structure with the scaffolds containing different types of aminooxy groups can lead to the formation of virtually all expected components in the model mixtures 1-3 formed from three scaffolds (7-9) and eight substituents (R(1)-R(8)). One important problem with the branched libraries is that the libraries formed from the more complex scaffolds, such as 11, contain multiple regioisomers. The results of extensive analysis of a variety of library components by mass spectrometry presented here show that the differences in the MS-MS fragmentation energies for different linkers yield regiochemical information essential for identification of individual library components. PMID:11777439

  18. Deexcitation processes in nuclear reactions: The study of hot hadronic matter. Annual progress report

    SciTech Connect

    Porile, N.T.

    1993-12-01

    The research program involved continuing analysis of Fermilab E-735, search for quark-gluon plasma (QGP) in {bar p}-p collisions; experiments on multi-fragmentation using reverse kinematics at the Bevalac; continuing study of target fragments produced in the interaction of copper with intermediate-energy heavy ions; and detector R&D for the STAR detector at RHIC.

  19. Radioactive beam experiments using the Fragment Mass Analyzer

    SciTech Connect

    Davids, C.N.

    1994-04-01

    The Fragment Mass Analyzer (FMA) is a recoil mass spectrometer that has many potential applications in experiments with radioactive beams. The FMA can be used for spectroscopic studies of nuclei produced in reactions with radioactive beams. The FMA is also an ideal tool for studying radiative capture reactions of astrophysical interest, using inverse kinematics. The FMA has both mass and energy dispersion, which can be used to efficiently separate the reaction recoils from the primary beam. When used with radioactive beams, the FMA allows the recoils from radiative capture reactions to be detected in a low-background environment.

  20. Study of Anomalous Nuclear Projectile Fragments in CR-39 Etched Track Detectors

    NASA Astrophysics Data System (ADS)

    Tincknell, Mark Leslie

    This report describes three years of experimental investigation into the phenomenon of anomalously short mean free paths (mfp's) of relativistic nuclear projectile fragments (Anomalous Projectile Fragments, or "Anomalons"). The experimental data were obtained through manual microscopic measurements of etched nuclear tracks in CR-39 plastic. There are five chapters in this report. The first introduces the subject, and extensively reviews and evaluates the experimental history of the effect. The second chapter describes the background physics and methods used. The third chapter examines in detail the statistical techniques used by almost all modern anomalon experiments. Many useful expressions are given and several mfp estimators are compared. The conventional methods are shown to have acceptably small biases. The fourth chapter discusses several experiments performed and analyzed in 1982-1983, mostly with an Ar beam exposure. These experiments found the mfp's of several primary nuclei, established that fragment nuclei are integrally charged, and confirmed the anomalon effect in a medium other than nuclear emulsion. The secondary mfp's were found to be depressed by (TURN)15% in the first 2 cm after the primary interactions, at the (TURN)95-99% confidence level (C.L.). The parameterized abundance of anomalons was (TURN)3.6%, with an anomalous mfp of (TURN)1 cm. The fifth chapter presents the results from experiments conducted in 1983-1984 with an Fe beam. A larger and more sophisticated repeat experiment obtained a weak and oddly-behaved anomalon effect, and was marginally consistent with a null result. The secondary mfp's in the 0.6 (LESSTHEQ) x (LESSTHEQ) 1.1 cm interval beyond the primary interactions were (TURN)2.5(sigma) low; all other points, including 0.1 (LESSTHEQ) x (LESSTHEQ) 0.6cm, were consistent with normal. The total mfp depression in the first cm was (TURN)10%, significant at the (TURN)90 -95% C.L. The tertiary mfp's were consistent with the secondaries

  1. Inertial confinement fusion reaction chamber and power conversion system study

    SciTech Connect

    Maya, I.; Schultz, K.R.; Battaglia, J.M.; Buksa, J.J.; Creedson, R.L.; Erlandson, O.D.; Levine, H.E.; Roelant, D.F.; Sanchez, H.W.; Schrader, S.A.

    1984-09-01

    GA Technologies has developed a conceptual ICF reactor system based on the Cascade rotating-bed reaction chamber concept. Unique features of the system design include the use of low activation SiC in a reaction chamber constructed of box-shaped tiles held together in compression by prestressing tendons to the vacuum chamber. Circulating Li/sub 2/O granules serve as the tritium breeding and energy transport material, cascading down the sides of the reaction chamber to the power conversion system. The total tritium inventory of the system is 6 kg; tritium recovery is accomplished directly from the granules via the vacuum system. A system for centrifugal throw transport of the hot Li/sub 2/O granules from the reaction chamber to the power conversion system has been developed. A number of issues were evaluated during the course of this study. These include the response of first-layer granules to the intense microexplosion surface heat flux, cost effective fabrication of Li/sub 2/O granules, tritium inventory and recovery issues, the thermodynamics of solids-flow options, vacuum versus helium-medium heat transfer, and the tradeoffs of capital cost versus efficiency for alternate heat exchange and power conversion system option. The resultant design options appear to be economically competitive, safe, and environmentally attractive.

  2. Iron oxide mineral-water interface reactions studied by AFM

    SciTech Connect

    Hawley, M.E.; Rogers, P.S.Z.

    1994-07-01

    Natural iron mineral surfaces have been examined in air by atomic force (AFM) and scanning tunneling (STM) microscopies. A number of different surface features were found to be characteristic of the native surface. Even surfaces freshly exposed by crushing larger crystals were found to have a pebbly surface texture caused by the presence of thin coatings of what might be surface precipitates. This finding is interpreted as evidence for previous exposure to water, probably through an extensive network of microfractures. Surface reactions on the goethite crystals were studied by AFM at size resolutions ranging from microns to atomic resolution before, during, and after reaction with distilled water and 0.lN HCl. Immediate and extensive surface reconfiguration occurred on contact with water. In one case, after equilibration with water for 3 days, surface reprecipitation, etching and pitting were observed. Atomic resolution images taken under water were found to be disordered. The result of surface reaction was generally to increase the surface area substantially through the extension of surface platelet arrays, present prior to reaction. This work is being done in support of the site characterization project at Yucca Mountain.

  3. Molecular-dynamics study of detonation. II. The reaction mechanism

    NASA Astrophysics Data System (ADS)

    Rice, Betsy M.; Mattson, William; Grosh, John; Trevino, S. F.

    1996-01-01

    In this work, we investigate mechanisms of chemical reactions that sustain an unsupported detonation. The chemical model of an energetic crystal used in this study consists of heteronuclear diatomic molecules that, at ambient pressure, dissociate endothermically. Subsequent association of the products to form homonuclear diatomic molecules provides the energy release that sustains the detonation. A many-body interaction is used to simulate changes in the electronic bonding as a function of local atomic environment. The consequence of the many-body interaction in this model is that the intramolecular bond is weakened with increasing density. The mechanism of the reaction for this model was extracted by investigating the details of the molecular properties in the reaction zone with two-dimensional molecular dynamics. The mechanism for the initiation of the reaction in this model is pressure-induced atomization. There was no evidence of excitation of vibrational modes to dissociative states. This particular result is directly attributable to the functional form and choice of parameters for this model, but might also have more general applicability.

  4. Insight into the kinetics and thermodynamics of the hydride transfer reactions between quinones and lumiflavin: a density functional theory study.

    PubMed

    Reinhardt, Clorice R; Jaglinski, Tanner C; Kastenschmidt, Ashly M; Song, Eun H; Gross, Adam K; Krause, Alyssa J; Gollmar, Jonathan M; Meise, Kristin J; Stenerson, Zachary S; Weibel, Tyler J; Dison, Andrew; Finnegan, Mackenzie R; Griesi, Daniel S; Heltne, Michael D; Hughes, Tom G; Hunt, Connor D; Jansen, Kayla A; Xiong, Adam H; Hati, Sanchita; Bhattacharyya, Sudeep

    2016-09-01

    The kinetics and equilibrium of the hydride transfer reaction between lumiflavin and a number of substituted quinones was studied using density functional theory. The impact of electron withdrawing/donating substituents on the redox potentials of quinones was studied. In addition, the role of these substituents on the kinetics of the hydride transfer reaction with lumiflavin was investigated in detail under the transition state (TS) theory assumption. The hydride transfer reactions were found to be more favorable for an electron-withdrawing substituent. The activation barrier exhibited a quadratic relationship with the driving force of these reactions as derived under the formalism of modified Marcus theory. The present study found a significant extent of electron delocalization in the TS that is stabilized by enhanced electrostatic, polarization, and exchange interactions. Analysis of geometry, bond-orders, and energetics revealed a predominant parallel (Leffler-Hammond) effect on the TS. Closer scrutiny reveals that electron-withdrawing substituents, although located on the acceptor ring, reduce the N-H bond order of the donor fragment in the precursor complex. Carried out in the gas-phase, this is the first ever report of a theoretical study of flavin's hydride transfer reactions with quinones, providing an unfiltered view of the electronic effect on the nuclear reorganization of donor-acceptor complexes. PMID:27491848

  5. SIFT studies of the reactions of H3O+, NO+ and O2+ with a series of alcohols

    NASA Astrophysics Data System (ADS)

    Spanel, Patrik; Smith, David

    1997-11-01

    We report the results of a selected ion flow tube (SIFT) study of the reactions of H3O+, NO+ and O2+ with some 17 alcohols ranging in complexity from methanol to octanol and menthol, and including some structural isomers. This study was carried out in order to extend the database (i.e. rate coefficients and product ions of appropriate ion/molecule reactions) required for the SIFT method of trace gas analysis which utilises the aforementioned ions for chemical ionisation. The H3O+ reactions proceed via exothermic proton transfer, which we assume to proceed at the collisional rate. Thus all of the 51 reactions (except two) occur at or close to the collisional rate. Only in a minority of these proton transfer reactions is the protonated parent molecule the single ion product; rather it is seen that the protonation of most of these alcohols by H3O+ is followed by the ejection of an H2O molecule from the excited product ion thus leaving the appropriate hydrocarbon ion. The NO+ reactions proceed largely via the processes of hydride ion transfer producing the appropriate carboxy ion (and HNO), and hydroxide ion transfer producing the appropriate hydrocarbon ion (and HNO2). The O2+ reactions proceed via charge transfer, the large majority of the reactions resulting in more than one product ion, which are mostly hydrocarbon fragment ions but in a few cases carboxy ions are formed. The product ions for the reactions of the various structural isomers are sometimes different, and this offers a way of distinguishing between the isomeric forms of some alcohols.

  6. Membrane effects of N-terminal fragment of apolipoprotein A-I: a fluorescent probe study.

    PubMed

    Trusova, Valeriya; Gorbenko, Galyna; Girych, Mykhailo; Adachi, Emi; Mizuguchi, Chiharu; Sood, Rohit; Kinnunen, Paavo; Saito, Hiroyuki

    2015-03-01

    The binding of monomeric and aggregated variants of 1-83 N-terminal fragment of apolipoprotein A-I with substitution mutations G26R, G26R/W@8, G26R/W@50 and G26R/W@72 to the model lipid membranes composed of phosphatidylcholine and its mixture with cholesterol has been investigated using fluorescent probes pyrene and Laurdan. Examination of pyrene spectral behavior did not reveal any marked influence of apoA-I mutants on the hydrocarbon region of lipid bilayer. In contrast, probing the membrane effects by Laurdan revealed decrease in the probe generalized polarization in the presence of aggregated proteins. suggesting that oligomeric and fibrillar apoA-I species induce increase in hydration degree and reduction of lipid packing density in the membrane interfacial region. These findings may shed light on molecular details of amyloid cytotoxicity. PMID:25595057

  7. Epidemiologic study of Taylorella equigenitalis strains by field inversion gel electrophoresis of genomic restriction endonuclease fragments.

    PubMed

    Bleumink-Pluym, N; ter Laak, E A; van der Zeijst, B A

    1990-09-01

    Contagious equine metritis (CEM), a sexually transmitted bacterial disease, was first described in thoroughbred horses. It also occurs in nonthoroughbred horses, in which it produces isolated, apparently unrelated outbreaks. Thirty-two strains of Taylorella equigenitalis, the causative agent of CEM, from all over the world were characterized by field inversion gel electrophoresis of fragments of genomic DNA obtained by digestion with low-cleavage-frequency restriction enzymes. This resulted in a division into five clearly distinct groups. Strains from thoroughbred horses from all continents belonged to one group. Strains from nonthoroughbred horses from various countries were different from strains from thoroughbred horses; four groups could be determined. Two groups contained both streptomycin-resistant and streptomycin-susceptible strains. The data indicate that CEM in nonthoroughbreds did not originate from the thoroughbred population; also, the reverse was not demonstrated. Thus, extensive international transportation directives regarding the testing of nonthoroughbred horses for CEM may need reconsideration. PMID:2172296

  8. Study on astrophysical reactions using low-energy RI beams

    NASA Astrophysics Data System (ADS)

    Yamaguchi, Hidetoshi

    2009-10-01

    In recent years, low-energy RI beams can be produced in a good intensity and they have been used for studying many astrophysical reactions. One of the facilities producing low-energy RI beams is CRIB (CNS Radio-Isotope Beam separator) [1,2], an RI-beam separator of Center for Nuclear Study, University of Tokyo. Taking CRIB as an example, recent improvements on the RI-beam production and experimental results on astrophysical studies are presented. Several experimental approaches have been taken for the studies on astrophysical reactions.The feature of each method are discussed based on real measurements performed at CRIB. One is the direct method, applied for measurements of reactions such as (α,p) [3]. Another is the measurement of proton/alpha resonance scattering using the thick target method in inverse kinematics, by which we can obtain information on the resonances relevant in astrophysical reactions [4,5]. A recent fruitful result was from a measurement of proton resonance scattering using a ^7Be beam [5]. The energy level structure of ^8B, revealed by the experiment, is especially of interest as it is related with the ^7Be(p,γ) ^8B reaction, responsible for the production of ^8B neutrinos in the sun. We successfully determined parameters of resonances in ^8B below 6.7 MeV, which may affect the ^7Be(p,γ)^8B reaction rate at the solar temparature. Indirect methods, such as ANC and the Trojan Horse Method, were also used in some of the measurements.[4pt] [1] S. Kubono et al., Eur. Phys. J. A13 (2002) 217.[0pt] [2] Y. Yanagisawa et al., Nucl. Instrum. Meth. Phys. Res., Sect. A 539 (2005) 74.[0pt] [3] M. Notani et al., Nucl. Phys. A 764 (2004) 113c.[0pt] [4] T. Teranishi et al., Phys. Lett. B 650 (2007) 129.[0pt] [5] H. Yamaguchi et al., Phys. Lett. B 672 (2009) 230.

  9. Electrochemical and spectroscopic studies of fuel cell reactions

    NASA Astrophysics Data System (ADS)

    Shao, Minhua

    Fuel cells, especially proton exchange membrane fuel cells (PEMFCs) are expected soon to become a major source of clean energy. However, the sluggish kinetics of the fuel cell reactions, i.e., the fuel oxidation and oxygen reduction, hinders the wide-spread application of PEMFCs. These problems prompted our studies to focus on elucidating the nature of the reaction intermediates during the oxidation of fuels and the reduction of oxygen on electrocatalysts, and understanding the mechanisms of these reactions. The results from these studies will provide basic information for designing new electrocatalysts. In this dissertation, the oxidation reactions of ethanol and dimethyl ether (DME) on Pt were investigated by the surface enhanced infrared absorption spectroscopy with an attenuated total reflection configuration (ATR-SEIRAS). Various reaction intermediates were detected and their electrochemical behaviors were studied. We also benefited from advantages of the ATR-SEIRAS technique and observed superoxide anion (O2-) and hydrogen peroxide anion (H2-) as the intermediates in the oxygen reduction reaction (ORR) on Pt and Au electrodes for the first time. The other main goal of this study is design of new electrocatalysts for ORR with low cost and high activity. Two novel electrocatalysts were developed. One is Pt monolayer electrocatalysts consisting of a Pt monolayer formed by a red-ox replacement of the Cu monolayer by Pt atoms on non-noble metal-noble metal core-shell nanoparticles. In such catalyst, the total noble mass activity of the catalyst was 2--6 times larger that of commercial Pt catalyst. Another way of lowering the cost of catalysts and enhancing the ORR activity involves alloying less expensive noble metals with other non-noble elements. In this dissertation, the nano-structured Pd based alloy electrocatalysts have been explored. The results showed that their ORR activities surpass that of commercial Pt. The density functional theory (DFT) calculations

  10. Computational studies of polysiloxanes : oxidation potentials and decomposition reactions.

    SciTech Connect

    Assary, R. S.; Curtiss, L. A.; Redfern, P. C.; Zhang, Z.; Amine, K.

    2011-06-23

    Silicon-containing solvents have tremendous potential for application as electrolytes for electrical energy storage devices such as lithium-ion (air) batteries and supercapacitors. Quantum chemical methods were employed to investigate trends in oxidation potentials and decomposition reactions of a series of polysiloxanes. Various electron-donating and -withdrawing substituents can be used to tune the oxidation potential in shorter chain siloxanes but not in longer ones. Decomposition reactions of siloxanes in their oxidized states were investigated and compared against their carbon analogues. These studies suggest that the Si-O group provides added stability for siloxanes over their carbon analogues. Computational studies have also been performed for various disiloxanes and siloxanes with spacer groups to understand their thermochemical stability and oxidation potentials.

  11. 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.

  12. A Nuclear Reaction Analysis study of fluorine uptake in flint

    SciTech Connect

    Jin, Jian-Yue; Weathers, D. L.; Picton, F.; Hughes, B. F.; Duggan, J. L.; McDaniel, F. D.; Matteson, S.

    1999-06-10

    Nuclear Reaction Analysis (NRA) using the {sup 19}F(p,{alpha}{gamma}){sup 16}O resonance reaction is a powerful method of fluorine depth profiling. We have used this method to study the fluorine uptake phenomenon in mineral flint, which could potentially develop into a method of dating archeological flint artifacts. Flint samples cut with a rock saw were immersed in aqueous fluoride solutions for different times for the uptake study. The results suggest that fluorine uptake is not a simple phenomenon, but rather a combination of several simultaneous processes. Fluorine surface adsorption appears to play an important role in developing the fluorine profiles. The surface adsorption was affected by several parameters such as pH value and fluorine concentration in the solution, among others. The problem of surface charging for the insulator materials during ion bombardment is also reported.

  13. Atmospheric Chemistry: Laboratory Studies of Kinetics of Important Reactions.

    NASA Astrophysics Data System (ADS)

    Smith, S. J.

    Available from UMI in association with The British Library. Requires signed TDF. This thesis describes the experiments to measure the rate constants for some reactions of the atmospherically important nitrate radical (NO_3) using the discharge-flow technique. The nitrate radical was monitored by optical absorption at lambda = 662 nm. The reactions of NO_3 with some stable organic and inorganic substrates are reported. The temperature dependences of some of the rate constants have also been determined (298 < T < 523 K). In most cases, computer simulation was used to extract the rate constant for the primary process because the time-dependent behaviour of (NO_3) was affected by secondary reactions of NO_3 with products of the primary interaction. The Arrhenius parameter in parentheses (E _{rm a}/kJ mol^ {-1}, A/cm^3 molecule ^{-1}s^ {-1} respectively) for the following reactions have been determined: ethane (37, 6.7 times 10^{-12}), ethylene (25.8, 6.3 times 10^ {-12}), CH_3OH (21.3, 1.2 times 10^ {-12}), CHCiota_3 (23.4, 8.6 times 10 ^{-13}) and HCl (27.7, 4 times 10^{-12}). The activation energies for the reactions studied between NO_3 and some alkynes are represented well by the value 25 +/- 3 kJ mol^{-1} and the corresponding pre-exponential factors (expressed as ln(10 ^{13}A/cm^3 molecule^{-1}s ^{-1}) are as follows: C_2H_2 (1.6 +/- 1.4), C_3H _4 (5.0 +/- 1.4), 1-C_4H_6 (5.8 +/- 1.0), 1-C_5 H_8 (5.7 +/- 0.6) and 1-C_6H _{10} (4.5 +/- 0.4). Some reactions were studied at room temperature _3(298 +/- 2 K) only and the rate constants found (in units of cm ^3 molecule^{ -1}s^{-1}) are: buta-1,3-diene (1.8 times 10 ^{-13}), isobutene (2.8 times 10^{-13 }), HBr (1.3 times 10 ^{-15}) and hex-2-yne (3.0 times 10^{-14 }). Non-Arrhenius behaviour was found in the reactions of NO_3 with n-butane, isobutane and propene. The empirical variation of these rate constants with temperature is well represented by the three parameter expressions:. k(T) = 1.2 times 10 ^{-46}T^{11

  14. Acute contrast reaction management by radiologists: a local audit study.

    PubMed

    Bartlett, Murray J; Bynevelt, Michael

    2003-12-01

    Consultant radiologists and trainees must possess knowledge of optimal acute management of anaphylactic/anaphylactoid contrast reactions because patient survival depends upon prompt initial management. The aim of the present study is to assess the knowledge of first-line management of these reactions among radiologists. Within one working day, and without prior knowledge, radiology consultants and trainees within four teaching hospitals in a major Australian capital city were asked to complete a confidential questionnaire regarding acute resuscitation management. Scenarios were presented of an adult who developed life-threatening symptoms of anaphylaxis immediately after intravenous contrast administration, ventricular fibrillation and profound bradycardia. Questions were asked with regards to adrenaline, corticosteroid, antihistamines, intravenous volume expansion, cardio-pulmonary rescuscitation and knowledge of the emergency telephone number. Sites were assessed for presence of an anaphylaxis management chart and also when each participant last completed a resuscitation course. Forty-two participants were recruited. Overall, 53% of questions were answered correctly. Only 43% knew the adrenaline dose and if an incorrect dose was administered it was more likely to be an overdose. Notable inadequacies were also discovered with corticosteroid, atropine, antihistamine doses and intravenous fluid use. Only 26% had completed a resuscitation course in the past 2 years. Forty-five percent knew the emergency telephone number and 55% of rooms using intravenous contrast contained an immediately visible chart for contrast reaction management. Radiologist and trainee knowledge of immediate life-threatening contrast reaction management is deficient. Severe contrast reactions are uncommon with today's use of non-ionic contrast, but they still occur. Experience in the management of anaphylaxis can only come from regular, compulsory training. PMID:14641186

  15. Condensed Matter Deuterium Cluster Target for Study of Pycnonuclear Reactions

    NASA Astrophysics Data System (ADS)

    Yang, Xiaoling; George, Miley

    2009-11-01

    Fusion reactions have two main classes: thermonuclear and the pycnonuclear. Thermonuclear fusion occurs in low density high temperature plasmas, and is very sensitive to the ion temperature due to Columbic repulsion effects. As the density increases, the Columbic potential barrier is depressed by increased electron screening, allowing fusion at lower temperatures. This type of nuclear reaction is termed a pycnonuclear fusion and is the basis for astrophysical fusion. Ichimarua [1] proposed a laboratory study of this process using explosive mechanical compression of H/D to metallic densities, which would be extremely difficult to implement. Instead, our recent research suggests that metallic-like H/D ``clusters'' can be formed in dislocation loops of thin Palladium foils through electrochemical processes. [2] If this technique is used as a laser compression target, the compressed cluster density would allow study of pycnonuclear reactions. This provides a means of studying astrophysical fusion process, and could also lead to an important non-cryogenic ICF target. [2] [4pt] [1] S. Ichimaru, H. Kitamura. Phys. Plasmas, 6, 2649 (1999) [0pt] [2] G. Miley and X. Yang, Deuterium Cluster Target for Ultra-High Density, 18TH TOFE, San Francisco, CA Sep. 28 -- Oct. 2, 2008

  16. Kinetic study of hydrated lime reaction with HCl.

    PubMed

    Yan, Rong; Chin, Terence; Liang, David Tee; Laursen, Karin; Ong, Wan Yean; Yao, Kaiwen; Tay, Joo Hwa

    2003-06-01

    Hydrochloride (HCl) is an acidic pollutant present in the flue gas of most municipal or hazardous waste incinerators. Hydrated lime (Ca(OH)2) is often used as a dry sorbent for injection in a spray reactor to remove HCI. However, due to the short residence time encountered, this control method has generally been found to have low conversion efficiencies which results in the high lime usage and generates large amount of fly ash as solid wastes. A fundamental study was carried outto investigate the kinetics of HCl-lime reaction under simulated flue gas conditions in order to better understand the process thereby providing a basis for an optimized lime usage and reduced fly ash production. The initial reaction rate and conversion of three limes were studied using a thermogravimetric analyzer by varying the gas flow rate, temperature (170-400 degrees C), and HCI concentrations (600-1200 mg/m3) as well as the associated particle size and surface area of the limes. The initial lime conversions were found to rely mostly on the residence time, while the ultimate lime conversions were strongly influenced by temperature and the reaction products. CaOHCI was found to be the primary product in most cases, while for one specific lime, CaCl2 was the ultimate conversion product after an extended time period. The true utilization of lime in flue gas cleanup is thus higher when CaOHCl is considered as the final product than those based on CaCl2 as the final product, which has been commonly used in previous studies. The initial reaction was controlled by diffusion of HCl in gas phase and the subsequent reaction by gaseous diffusion through the developing product layer. Increasing the HCI concentration raised the initial rate as well as conversion. However, overloading the lime with excessive HCI caused clogging at its surface and a drop in the ultimate conversion. Limes with smaller particle diameters and higher surface areas were found to be more reactive. The effect of gas

  17. Perturbative fragmentation

    SciTech Connect

    Kopeliovich, B. Z.; Pirner, H.-J.; Potashnikova, I. K.; Schmidt, Ivan; Tarasov, A. V.

    2008-03-01

    The Berger model of perturbative fragmentation of quarks to pions is improved by providing an absolute normalization and keeping all terms in a (1-z) expansion, which makes the calculation valid at all values of fractional pion momentum z. We also replace the nonrelativistic wave function of a loosely bound pion by the more realistic procedure of projecting to the light-cone pion wave function, which in turn is taken from well known models. The full calculation does not confirm the (1-z){sup 2} behavior of the fragmentation function (FF) predicted in [E. L. Berger, Z. Phys. C 4, 289 (1980); Phys. Lett. 89B, 241 (1980] for z>0.5, and only works at very large z>0.95, where it is in reasonable agreement with phenomenological FFs. Otherwise, we observe quite a different z-dependence which grossly underestimates data at smaller z. The disagreement is reduced after the addition of pions from decays of light vector mesons, but still remains considerable. The process dependent higher twist terms are also calculated exactly and found to be important at large z and/or p{sub T}.

  18. Studies of heavy-ion reactions and transuranic nuclei: Progress report, September 1, 1987--August 31, 1988

    SciTech Connect

    Schroeder, W.U.; Huizenga, J.R.

    1988-08-01

    The effect of successively increasing gradients of the potential energy surface on mass and charge transport was studied experimentally and theoretically with a series of damped reactions induced by /sup 48/Ca, /sup 64/Ni, /sup 58/Ni, and /sup 40/Ca projectiles on /sup 238/U targets. Combined transport-evaporation calculations that were performed for the interpretation of data demonstrate a systematic deficiency of quantitative reaction theory. A new type of experimental method has been employed to study several moments of the energy partition in damped reactions, measuring multiplicity correlations of neutrons emitted from the asymptotic fragments with a specially designed, directionally sensitive multiplicity counter. First results indicate significant departures of damped reaction systems from thermal equilibrium. Employing realistic Monte Carlo simulation of published experiments, it was demonstrated that the directions of net mass transfer and energy deposit are uncorrelated in damped reactions. Evaporative and preequilibrium neutron emission has been studied for the asymmetric heavy-ion system /sup 139/La + /sup 40/Ar. The disequilibrium energy transport phenomena observed in the experiment are quantitatively reproduced by model calculations. A strong impact-parameter dependence of preequilibrium emission is demonstrated. The emission patterns of ..cap alpha.. particles evaporated from high spin compound nuclei, previously attributed to exotic nuclear shapes, have been explained in realistic statistical model calculations for nuclei with conventional shapes. A new octal digital delay module has been designed and tested.

  19. Simulation Studies of Protein and Small Molecule Interactions and Reaction.

    PubMed

    Yang, L; Zhang, J; Che, X; Gao, Y Q

    2016-01-01

    Computational studies of protein and small molecule (protein-ligand/enzyme-substrate) interactions become more and more important in biological science and drug discovery. Computer modeling can provide molecular details of the processes such as conformational change, binding, and transportation of small molecules/proteins, which are not easily to be captured in experiments. In this chapter, we discussed simulation studies of both protein and small molecules from three aspects: conformation sampling, transportations of small molecules in enzymes, and enzymatic reactions involving small molecules. Both methodology developments and examples of simulation studies in this field were presented. PMID:27497167

  20. Scaling behavior of fragment shapes.

    PubMed

    Kun, F; Wittel, F K; Herrmann, H J; Kröplin, B H; Måløy, K J

    2006-01-20

    We present an experimental and theoretical study of the shape of fragments generated by explosive and impact loading of closed shells. Based on high speed imaging, we have determined the fragmentation mechanism of shells. Experiments have shown that the fragments vary from completely isotropic to highly anisotropic elongated shapes, depending on the microscopic cracking mechanism of the shell. Anisotropic fragments proved to have a self-affine character described by a scaling exponent. The distribution of fragment shapes exhibits a power-law decay. The robustness of the scaling laws is illustrated by a stochastic hierarchical model of fragmentation. Our results provide a possible improvement of the representation of fragment shapes in models of space debris. PMID:16486594

  1. Oxaliplatin complexes with carnosine and its derivatives: in vitro cytotoxicity, mass spectrometric and computational studies with a focus on complex fragmentation.

    PubMed

    Moustafa, Eslam M; Camp, Claire L; Youssef, Ahmed S; Amleh, Asma; Reid, Helen J; Sharp, Barry L; Shoeib, Tamer

    2013-11-01

    The complexation of the Pt-based anti-cancer drug oxaliplatin (OxPt) with biological ligands other than DNA is believed to be a major cellular sink for the drug reducing its therapeutic potential and acting as a potential cause of toxicity. In this paper, the very first hypothesis driven investigation of the role of the naturally abundant cytoplasmic dipeptide ligand β-alanyl-l-histidine dipeptide (carnosine) in OxPt detoxification is presented. In vitro studies on hepatocellular carcinoma HepG2 cells suggest that carnosine may inhibit the cytotoxic action of OxPt most likely through the formation of complexes that are less cytotoxic than OxPt alone. Evidence is provided to suggest that pre-exposure of HepG2 cells to elevated levels of carnosine appears to have a lasting effect on reducing the cytotoxicity of OxPt even after the removal of the externally added carnosine. This effect, however, is likely under kinetic control as its magnitude was shown not to vary significantly with the level of carnosine exposure within the concentration range used in this study. Various mass spectrometry techniques employing electrospray ionization and chip nanospray were employed to study the interaction of oxaliplatin with carnosine as well as two of its derivatives β-alanyl-N-methylhistidine (anserine) and N-acetylcarnosine (NAC). Evidence of complexation between OxPt and each of the three ligands examined is presented. Most species observed were unambiguously assigned and compared to their theoretical isotopic patterns. Common fragmentation products due to the collisionally-activated protonated complexes of each of the ligands examined with OxPt, [M + OxPt + H](+), where M = carnosine, anserine or NAC, were reported. Density functional calculations at the B3LYP/LANL2DZ level were used to obtain structural information and relative free energies of different isomers of the observed precursor [Carnosine + OxPt + H](+) both in the gas phase and in solution as well as to probe its

  2. Direct Reaction Experimental Studies with Beams of Radioactive Tin Ions

    SciTech Connect

    Jones, K. L.; Ahn, S.H.; Allmond, James M; Ayres, A.; Bardayan, Daniel W; Baugher, T.; Bazin, D.; Beene, James R; Berryman, J. S.; Bey, A.; Bingham, C. R.; Cartegni, L.; Chae, K. Y.; Gade, A.; Galindo-Uribarri, Alfredo {nmn}; Garcia-Ruiz, R.F.; Grzywacz, Robert Kazimierz; Howard, Meredith E; Kozub, R. L.; Liang, J Felix; Manning, Brett M; Matos, M.; McDaniel, S.; Miller, D.; Nesaraja, Caroline D; O'Malley, Patrick; Padgett, S; Padilla-Rodal, Elizabeth; Pain, Steven D; Pittman, S. T.; Radford, David C; Ratkiewicz, Andrew J; Schmitt, Kyle; Smith, Michael Scott; Stracener, Daniel W; Stroberg, S.; Tostevin, Jeffrey A; Varner Jr, Robert L; Weisshaar, D.; Wimmer, K.

    2015-01-01

    The tin chain of isotopes provides a unique region in which to investigate the evolution of single-particle structure, spreading from N = 50 at Sn-100, through 10 stable isotopes and the N = 82 shell closure at Sn-132 out into the r-process path. Direct reactions performed on radioactive ion beams are sensitive spectroscopic tools for studying exotic nuclei. Here we present one experiment knocking out neutrons from tin isotopes that are already neutron deficient and two reactions that add a neutron to neutron-rich Sn-130. Both techniques rely on selective particle identification and the measurement of gamma rays in coincidence with charged ions. We present the goals of the two experiments and the particle identification for the channels of interest. The final results will be presented in future publications.

  3. Direct reaction experimental studies with beams of radioactive tin ions

    SciTech Connect

    Jones, K. L. Ayres, A.; Bey, A.; Burcher, S.; Cartegni, L.; Cerizza, G.; Ahn, S.; Allmond, J. M.; Beene, J. R.; Galindo-Uribarri, A.; Liang, J. F.; Nesaraja, C. D.; Pain, S. D.; Radford, D. C.; Schmitt, K. T.; Smith, M. S.; Stracener, D. W.; Varner, R. L.; Bardayan, D. W.; Baugher, T.; and others

    2015-10-15

    The tin chain of isotopes provides a unique region in which to investigate the evolution of single-particle structure, spreading from N = 50 at {sup 100}Sn, through 10 stable isotopes and the N = 82 shell closure at {sup 132}Sn out into the r-process path. Direct reactions performed on radioactive ion beams are sensitive spectroscopic tools for studying exotic nuclei. Here we present one experiment knocking out neutrons from tin isotopes that are already neutron deficient and two reactions that add a neutron to neutron-rich {sup 130}Sn. Both techniques rely on selective particle identification and the measurement of γ rays in coincidence with charged ions. We present the goals of the two experiments and the particle identification for the channels of interest. The final results will be presented in future publications.

  4. Community reactions to helicopter noise - Results from an experimental study

    NASA Technical Reports Server (NTRS)

    Fields, James M.; Powell, Clemans A.

    1987-01-01

    Community reactions to low numbers of helicopter noise events (less than 50 per day) are investigated using a new type of study design. Although the effect of maximum noise level and number of noise events on helicopter noise annoyance was found to be similar to that represented by the energy summation principle contained in L(eq)-based noise indices, it is noted that the possibility that the number of noise events has only a small effect on annoyance cannot be rejected at the conventional p of less than 0.05 level. The effect of the duration of noise events was also shown to be consistent with L(eq)-based indices. After removing the effects of differences in duration and noise levels, little difference is found between reactions to impulsive and nonimpulsive types of helicopters.

  5. Characterizing fragmentation of the collective forests in southern China from multitemporal Landsat imagery: A case study from Kecheng district of Zhejiang province

    USGS Publications Warehouse

    Li, M.; Zhu, Z.; Vogelmann, J.E.; Xu, D.; Wen, W.; Liu, A.

    2011-01-01

    Tropical and subtropical forests provide important ecosystem goods and services including carbon sequestration and biodiversity conservation. These forests are facing increasing socioeconomic pressures and are rapidly being degraded and fragmented. This analysis focuses on the rate of change and patterns of fragmentation in a collective forest area in Zhejiang province, China, during the time period 1988-2005. The research consisted of two parts. The first was the development of general land cover maps and the identification of land cover changes by interpreting Landsat Thematic Mapper (TM) and Enhanced Thematic Mapper Plus (ETM+) time series imagery. The second part involved the computation and analysis of forest fragmentation metrics. For this portion of the study, fragmentation statistics were analyzed, and images were developed to depict forest fragmentation patterns and trends. Results revealed that there was a net loss of 7.8% in forest coverage, dropping from 66.8% in 1988 to 59.0% in 2005, primarily caused by agricultural expansion and poor forest management practices. An acceleration of forest fragmentation was also witnessed during the time intervals, which was evidenced by a decreasing trend in interior forest (57.2% in 1988, 55.0% in 1996 and 54.8% in 2005 respectively) coupled with the scales of the selected geospatial metrics. Continued forest loss and fragmentation are closely correlated with the existing political, educational, institutional and economic processes of contemporary China. To unlock the developmental potentials of the collective forests and to effectively mitigate the rate of forest loss and fragmentation, reforms of forest tenure and ecological immigration practices are recognized as a prospective alternative. The produced fragmentation maps further illustrates the importance of assessing landscape change history, especially the spatiotemporal patterns of forest fragments, when developing landscape level plans for biodiversity

  6. Density Functional Theory and Reaction Kinetics Studies of the Water–Gas Shift Reaction on Pt–Re Catalysts

    SciTech Connect

    Carrasquillo-Flores, Ronald; Gallo, Jean Marcel R.; Hahn, Konstanze; Dumesic, James A.; Mavrikakis, Manos

    2013-11-05

    Periodic, self-consistent density functional theory calculations (DFT-GGA-PW91) on Pt(111) and Pt3Re(111) surfaces, reaction kinetics measurements, and microkinetic modeling are employed to study the mechanism of the water–gas shift (WGS) reaction over Pt and Pt–Re catalysts. The values of the reaction rates and reaction orders predicted by the model are in agreement with the ones experimentally determined; the calculated apparent activation energies are matched to within 6% of the experimental values. The primary reaction pathway is predicted to take place through adsorbed carboxyl (COOH) species, whereas formate (HCOO) is predicted to be a spectator species. We conclude that the clean Pt(111) is a good representation of the active site for the WGS reaction on Pt catalysts, whereas the active sites on the Pt–Re alloy catalyst likely contain partially oxidized metal ensembles.

  7. Structural study of human growth hormone-releasing factor fragment (1?29) by vibrational spectroscopy

    NASA Astrophysics Data System (ADS)

    Carmona, P.; Molina, M.; Lasagabaster, A.

    1995-05-01

    The conformational structure of fragment 1-29 of human growth hormone releasing factor, hGHRF (1-29), in aqueous solution and in the solid state is investigated by infrared and Raman spectroscopy. The polypeptide backbone is found to be unordered in the solid state. However, the spectra of the peptide prepared as 5% (w/w) aqueous solutions show that approximately 28% of the peptide is involved in intermolecular β-sheet aggregation. The remainder of the peptide exists largely as disordered and β-sheet conformations with a small portion of α-helices. Tyrosine residues are found to be exposed to the solvent. The secondary structures are quantitatively examined through infrared spectroscopy, the conformational percentages being near those obtained by HONDAet al. [ Biopolymers31, 869 (1991)] using circular dichroism. The fast hydrogen/deuterium exchange in peptide groups and the absence of any NMR sign indicative of ordered structure [ G. M. CLOREet al., J. Molec. Biol.191, 553 (1986)] support that the solution conformations of the non-aggregated peptide interconvert in dynamic equilibrium. Some physiological advantages that may derive from this conformational flexibility are also discussed

  8. Phylogeography of four frog species in forest fragments of northeastern Brazil--a preliminary study.

    PubMed

    Carnaval, Ana Carolina O Q

    2002-11-01

    I contrast mitochondrial DNA genealogies based on 612 bp of the cytochrome b gene across four co-distributed species of frogs in Northeastern Brazil. They are Hyla albomarginata, Hyla branneri, Proceratophrys boiei, and Scinax nebulosus. Samples were collected from the core or edge of six rainforest remnants in the states of Pernambuco and Alagoas. Three fragments are located within the humid Atlantic Forest morphoclimatic domain (municipalities of Cabo de Santo Agostinho, Ibateguara, and Jaqueira), two are located in the transition zone between the Atlantic Forest domain and the semi-arid Caatinga (Caruaru and Timbaúba), and one is found within the Caatinga (Brejo da Madre de Deus). Results show that local patterns and levels of genetic diversity are influenced by taxon-specific habitat requirements. Populations of the montane, closed-canopy species P. boiei show strong geographical structure, reflecting barriers to gene flow that predate human-driven habitat destruction. Species occurring along forest edges, such as H. albomarginata and S. nebulosus, show genetic patterns similar to those of P. boiei, but lower levels of genetic divergence. The more generalist Hyla branneri shows no geographic pattern. The data are in agreement with distribution and fossil data gathered for other groups of organisms, suggesting that mesic forests occupied the currently arid Caatinga in the recent past. PMID:21680371

  9. Chain-amplified photochemical fragmentation of N-alkoxypyridinium salts: proposed reaction of alkoxyl radicals with pyridine bases to give pyridinyl radicals.

    PubMed

    Shukla, Deepak; Adiga, Shashishekar P; Ahearn, Wendy G; Dinnocenzo, Joseph P; Farid, Samir

    2013-03-01

    Photoinduced electron transfer to N-alkoxypyridiniums, which leads to N–O bond cleavage and alkoxyl radical formation, is highly chain amplified in the presence of a pyridine base such as lutidine. Density functional theory calculations support a mechanism in which the alkoxyl radicals react with lutidine via proton-coupled electron transfer (PCET) to produce lutidinyl radicals (BH•). A strong electron donor, BH• is proposed to reduce another alkoxypyridinium cation, leading to chain amplification, with quantum yields approaching 200. Kinetic data and calculations support the formation of a second, stronger reducing agent: a hydrogen-bonded complex between BH• and another base molecule (BH•···B). Global fitting of the quantum yield data for the reactions of four pyridinium salts (4-phenyl and 4-cyano with N-methoxy and N-ethoxy substituents) led to a consistent set of kinetic parameters. The chain nature of the reaction allowed rate constants to be determined from steady-state kinetics and independently determined chain-termination rate constants. The rate constant of the reaction of CH3O• with lutidine to form BH•, k1, is ~6 × 10(6) M(–1) s(–1); that of CH3CH2O• is ~9 times larger. Reaction of CD3O• showed a deuterium isotope effect of ~6.5. Replacing lutidine by 3-chloropyridine, a weaker base, decreases k1 by a factor of ~400. PMID:23181705

  10. Nonequilibrium phenomena in N{sub 2}-cluster-surface collisions: A molecular-dynamics study of fragmentation, lateral jetting, and nonequilibrium energy distributions

    SciTech Connect

    Zimmermann, Steffen; Urbassek, Herbert M.

    2006-12-15

    Using molecular-dynamics simulation, we study the impact of (N{sub 2}){sub 2869} clusters on a flat rigid wall. We study the cluster fragmentation process, the formation of lateral jets, the energy redistribution among the resulting fragments, and the ratio of internal and translational energy of the emerging free molecules as a function of cluster impact energy in the range of 0.076-1520 meV/molecule. We find the fragmentation threshold energy to be in agreement with that found previously for (N{sub 2}){sub 13} clusters; the (scaled) number of fragments, however, increases more slowly with impact energy. Also the energy redistribution of the cluster impact energy among the internal and translational energy of the fragments is similar to that found for the small cluster. This means in particular that free molecules show a strong nonequilibrium energy partitioning in which the internal degrees of freedom are considerably less excited than the translational degrees of freedom. We also find that at impact energies above the fragmentation threshold the angular distribution of fragments is peaked parallel to the surface--i.e., the formation of lateral surface jets.

  11. A Case Study in Chemical Kinetics: The OH + CO Reaction.

    ERIC Educational Resources Information Center

    Weston, Ralph E., Jr.

    1988-01-01

    Reviews some important properties of the bimolecular reaction between the hydroxyl radical and carbon monoxide. Investigates the kinetics of the reaction, the temperature and pressure dependence of the rate constant, the state-to-state dynamics of the reaction, and the reverse reaction. (MVL)

  12. Peptide Fragmentation by Corona Discharge Induced Electrochemical Ionization

    PubMed Central

    Lloyd, John R.; Hess, Sonja

    2010-01-01

    Fundamental studies have greatly improved our understanding of electrospray, including the underlying electrochemical reactions. Generally regarded as disadvantageous, we have recently shown that corona discharge (CD) can be used as an effective method to create a radical cation species [M]+•, thus optimizing the electrochemical reactions that occur on the surface of the stainless steel (SS) electrospray capillary tip. This technique is known as CD initiated electrochemical ionization (CD-ECI). Here, we report on the fundamental studies using CD-ECI to induce analytically useful in-source fragmentation of a range of molecules that complex transition metals. Compounds that have been selectively fragmented using CD-ECI include enolate forming phenylglycine containing peptides, glycopeptides, nucleosides and phosphopeptides. Collision induced dissociation (CID) or other activation techniques were not necessary for CD-ECI fragmentation. A four step mechanism was proposed: 1. Complexation using either Fe in the SS capillary tip material or Cu(II) as an offline complexation reagent; 2. Electrochemical oxidation of the complexed metal and thus formation of a radical cation (e.g.; Fe - e− → Fe +•); 3. Radical fragmentation of the complexed compound. 4. Electrospray ionization of the fragmented neutrals. Fragmentation patterns resembling b- and y-type ions were observed and allowed the localization of the phosphorylation sites. PMID:20869880

  13. Peptide fragmentation by corona discharge induced electrochemical ionization.

    PubMed

    Lloyd, John R; Hess, Sonja

    2010-12-01

    Fundamental studies have greatly improved our understanding of electrospray, including the underlying electrochemical reactions. Generally regarded as disadvantageous, we have recently shown that corona discharge (CD) can be used as an effective method to create a radical cation species [M](+·), thus optimizing the electrochemical reactions that occur on the surface of the stainless steel (SS) electrospray capillary tip. This technique is known as CD initiated electrochemical ionization (CD-ECI). Here, we report on the fundamental studies using CD-ECI to induce analytically useful in-source fragmentation of a range of molecules that complex transition metals. Compounds that have been selectively fragmented using CD-ECI include enolate forming phenylglycine containing peptides, glycopeptides, nucleosides, and phosphopeptides. Collision induced dissociation (CID) or other activation techniques were not necessary for CD-ECI fragmentation. A four step mechanism was proposed: (1) complexation using either Fe in the SS capillary tip material or Cu(II) as an offline complexation reagent; (2) electrochemical oxidation of the complexed metal and thus formation of a radical cation (e.g.; Fe - e(-) → Fe(+·)); (3) radical fragmentation of the complexed compound; (4) electrospray ionization of the fragmented neutrals. Fragmentation patterns resembling b- and y-type ions were observed and allowed the localization of the phosphorylation sites. PMID:20869880

  14. Decay studies of 59Cu* formed in the 35Cl + 24Mg reaction using the dynamical cluster-decay model

    NASA Astrophysics Data System (ADS)

    Karthikraj, C.; Balasubramaniam, M.

    2013-02-01

    The reformulated dynamical cluster-decay model (DCM) is applied to study the decay of odd-A and non-α structured 59Cu* formed in the 35Cl+24Mg reaction at Elab=275 MeV. Here, the temperature (T)-dependent binding energies due to Krappe are used. The roles of Wigner and pairing energies in the fragmentation potential are explicitly shown in this work. For the temperature T=4.1898 MeV corresponding to Elab=275 MeV, the contribution of pairing vanishes and the resulting structure of the fragmentation potential due to Wigner term is shown. In addition to this, we have studied the role of factor α appearing in the inertia part of the equation of motion dictating the mass-transfer process. It is shown that this factor has significant effect in the structure of preformation probability values and hence in turn we see significant changes in the cross sections. We compare the cross sections of the measured charge distributions of the fission fragments for two limiting values of the parameter α with the experimental data. In order to fit the total cross-section values, a linear relation is obtained between the free parameter of the model ▵R and the factor α appearing in the hydrodynamical mass.

  15. Effect of fluoro substitution on the fragmentation of the K-shell excited/ionized pyridine studied by electron impact.

    PubMed

    Sakai, Masamichi; Okada, Kazumasa

    2011-07-01

    Fragmentation of the pyridine ring followed by K-shell excitation/ionization has been studied with 2-fluoropyridine (2FPy) by electron impact. Ab initio molecular orbital (MO) calculations were also carried out to investigate the electronic states correlating with specific fragment ions. The fragment ions are produced characteristically at the N 1s edge, while the spectra observed at the F 1s and C 1s edges exhibit a small difference from that at the valence ionization. The production of the C(4)H(2)(+), C(4)H(3)(+) and C(4)H(2)F(+) ions indicates that the cleavage of the N-C6 and C2-C3 bonds or the N-C2 and C5-C6 bonds is likely to occur after the N 1s excitation/ionization. Ab initio MO calculations indicate that the former fission is likely to proceed through the n(N)(1)π(2)(1)π(3)(2) and n(N)(0)π(2)(2)π(3)(2) excited states of the parent molecular dication. On the other hand, the breakage of the N-C2 and C4-C5 bonds, which specifically proceeds at the N 1s edge for 2-methylpyridine, does not occur for 2FPy. The present calculation reveals that the products of this channel are unstable by the electronegativity of fluorine and that the relative energy of the Auger-final states of 2FPy is lowered by the reorganization and electron correlation effects. PMID:21744416

  16. An Ion Microprobe Study of a Unique Oldhamite-Pyroxenite Fragment from the Bustee Aubrite

    NASA Astrophysics Data System (ADS)

    Kurat, G.; Zinner, E.; Brandstatter, F.

    1992-07-01

    While it is widely believed that the minerals in aubrite breccias are of igneous origin (e.g., 1) bulk trace element abundances (e.g., 2) and the distribution of trace elements between phases (e.g., 3-5) are incompatible with an igneous genesis and strongly suggest a nebular origin (e.g., 6). Here we report trace element data on mineral phases in a unique rock fragment from the Bustee meteorite as well as with the N and Ti isotope compositions in osbornite. In the first characterization of Bustee, Story-Maskelyne (7) described a rock fragment consisting of oldhamite, enstatite, augite, and plagioclase in which he also first dicovered osbornite. The rock consists of large (2-3 mm) rounded oldhamite embedded in granular pyroxene (pictures given by 7 and 8). Osbornite is commonly included in oldhamite. Some metal (Si- and Cr-bearing) and a few grains of heideite and other rare sulfides are present. The REE abundances in selected minerals are shown in the figure. Surprisingly, all patterns are nearly flat. The oldhamite is strongly enriched in REE (see also 3-5) and has a positive Eu anomaly. Osbornite shows a slightly fractionated pattern with La>Lu and REE abundances of 0.5-9 x CI. Pyroxenes have the lowest REE contents at 0.2-0.3 x CI (pigeonite) and 0.03-0.08 x CI (enstatite). Isotopic compositions of Ti and N in osbornite and of Ca in oldhamite are indistinguishable from terrestrial. The distribution of REE beween mineral phases does not correspond to experimentally determined distribution coefficients (9). This and the primitive (not crystal-chemically controlled) REE abundances in all phases make it very likely that the minerals of the oldhamite-pyroxenite from Bustee were formed by condensation. The condensation sequence must have been osbornite-oldhamite- pigeonite-enstatite. As the first major phase to condense, oldhamite apparently scavenged most of the REE present in the gas. It must have been formed well below 1380 K (10) and from a slightly fractionated

  17. Modelling and Simulation Study of TCP Performance with Link Layer Retransmission and Fragmentation for Satellite-UMTS Networks

    NASA Astrophysics Data System (ADS)

    Luo, Zongyang; Sun, Zhili; Cruickshank, Haitham

    Satellite-based Universal Mobile Telecommunications System (S-UMTS) is used to provide all kinds of Transmission Control Protocol/ Internet Protocol (TCP/IP) based Internet services for global end users. However, due to the high propagation delay and high bit error rates over satellite links, the TCP performance degrades considerably and affects many qualities of TCP based services. In this work, we focus on studying the TCP performance in S-UMTS using radio link control (RLC) with fragmentation and retransmission mechanisms. Analytical and simulation studies have been carried out to study this cross-layer problem. Two scenarios have been studied, i.e., the satellite operates in either transparent mode or with onboard processor (OBP) mode. The results indicate that the TCP performance can be enhanced substantially by employing the relay function using OBP and appropriate configurations of RLC parameters, thus providing useful information to the design the next generation communication satellite with onboard processing.

  18. Isobaric yield ratio difference between the 140 A MeV 58Ni + 9Be and 64Ni +9Be reactions studied by the antisymmetric molecular dynamics model

    NASA Astrophysics Data System (ADS)

    Qiao, C. Y.; Wei, H. L.; Ma, C. W.; Zhang, Y. L.; Wang, S. S.

    2015-07-01

    Background: The isobaric yield ratio difference (IBD) method is found to be sensitive to the density difference of neutron-rich nucleus induced reaction around the Fermi energy. Purpose: An investigation is performed to study the IBD results in the transport model. Methods: The antisymmetric molecular dynamics (AMD) model plus the sequential decay model gemini are adopted to simulate the 140 A MeV 58 ,64Ni +9Be reactions. A relative small coalescence radius Rc= 2.5 fm is used for the phase space at t = 500 fm/c to form the hot fragment. Two limitations on the impact parameter (b 1 =0 -2 fm and b 2 =0 -9 fm) are used to study the effect of central collisions in IBD. Results: The isobaric yield ratios (IYRs) for the large-A fragments are found to be suppressed in the symmetric reaction. The IBD results for fragments with neutron excess I = 0 and 1 are obtained. A small difference is found in the IBDs with the b 1 and b 2 limitations in the AMD simulated reactions. The IBD with b 1 and b 2 are quite similar in the AMD + GEMINI simulated reactions. Conclusions: The IBDs for the I =0 and 1 chains are mainly determined by the central collisions, which reflects the nuclear density in the core region of the reaction system. The increasing part of the IBD distribution is found due to the difference between the densities in the peripheral collisions of the reactions. The sequential decay process influences the IBD results. The AMD + GEMINI simulation can better reproduce the experimental IBDs than the AMD simulation.

  19. Full-dimensional and reduced-dimensional calculations of initial state-selected reaction probabilities studying the H + CH{sub 4} → H{sub 2} + CH{sub 3} reaction on a neural network PES

    SciTech Connect

    Welsch, Ralph Manthe, Uwe

    2015-02-14

    Initial state-selected reaction probabilities of the H + CH{sub 4} → H{sub 2} + CH{sub 3} reaction are calculated in full and reduced dimensionality on a recent neural network potential [X. Xu, J. Chen, and D. H. Zhang, Chin. J. Chem. Phys. 27, 373 (2014)]. The quantum dynamics calculation employs the quantum transition state concept and the multi-layer multi-configurational time-dependent Hartree approach and rigorously studies the reaction for vanishing total angular momentum (J = 0). The calculations investigate the accuracy of the neutral network potential and study the effect resulting from a reduced-dimensional treatment. Very good agreement is found between the present results obtained on the neural network potential and previous results obtained on a Shepard interpolated potential energy surface. The reduced-dimensional calculations only consider motion in eight degrees of freedom and retain the C{sub 3v} symmetry of the methyl fragment. Considering reaction starting from the vibrational ground state of methane, the reaction probabilities calculated in reduced dimensionality are moderately shifted in energy compared to the full-dimensional ones but otherwise agree rather well. Similar agreement is also found if reaction probabilities averaged over similar types of vibrational excitation of the methane reactant are considered. In contrast, significant differences between reduced and full-dimensional results are found for reaction probabilities starting specifically from symmetric stretching, asymmetric (f{sub 2}-symmetric) stretching, or e-symmetric bending excited states of methane.

  20. Atmospheric chemistry of enols: a theoretical study of the vinyl alcohol + OH + O(2) reaction mechanism.

    PubMed

    So, Sui; Wille, Uta; da Silva, Gabriel

    2014-06-17

    Enols are emerging as trace atmospheric components that may play a significant role in the formation of organic acids in the atmosphere. We have investigated the hydroxyl radical ((•)OH) initiated oxidation chemistry of the simplest enol, vinyl alcohol (ethenol, CH2═CHOH), using quantum chemical calculations and energy-grained master equation simulations. A lifetime of around 4 h was determined for vinyl alcohol in the presence of tropospheric levels of (•)OH. The reaction proceeds by (•)OH addition at both the α (66%) and β (33%) carbons of the π-system, yielding the C-centered radicals (•)CH2CH(OH)2, and HOCH2C(•)HOH, respectively. Subsequent trapping by O2 leads to the respective peroxyl radicals. About 90% of the chemically activated population of the major peroxyl radical adduct (•)O2CH2CH(OH)2 is predicted to undergo fragmentation to produce formic acid and formaldehyde, with regeneration of (•)OH. The minor peroxyl radical HOCH2C(OO(•))HOH is even less stable and undergoes almost exclusive HO2(•) elimination to form glycolaldehyde (HOCH2CHO). Formation of the latter has not been proposed before in the oxidation of vinyl alcohol. A kinetic mechanism for use in atmospheric modeling is provided, featuring phenomenological rate coefficients for formation of the three main product channels ((•)O2CH2CH(OH)2 [8%]; HC(O)OH + HCHO + (•)OH [56%]; HOCH2CHO + HO2(•) [37%]). Our study supports previous findings that vinyl alcohol should be rapidly removed from the atmosphere by reaction with (•)OH and O2 with glycolaldehyde being identified as a previously unconsidered product. Most importantly, it is shown that direct chemically activated reactions can lead to (•)OH and HO2(•) (HOx) recycling. PMID:24844308

  1. Study of all Reaction Channels in Deuteron-Deuteron Scattering

    NASA Astrophysics Data System (ADS)

    Ramazani-Moghaddam-Arani, A.; Amir-Ahmadi, H. R.; Bacher, A. D.; Bailey, C. D.; Biegun, A.; Eslami-Kalantari, M.; Gašparić, I.; Joulaeizadeh, L.; Kalantar-Nayestanaki, N.; Kistryn, St.; Kozela, A.; Mardanpour, H.; Messchendorp, J. G.; Micherdzinska, A. M.; Moeini, H.; Shende, S. V.; Stephan, E.; Stephenson, E. J.; Sworst, R.

    Few-nucleon systems can be used as fundamental laboratories for studying details of the nuclear force effects. We performed a series of deuteron-deuteron scattering experiments at intermediate energies. The experiments exploited BINA and BBS experimental setups and polarized deuteron beams with kinetic energies of 65 and 90 MeV/nucleon. These experiments aim to measure differential cross sections, vector and tensor analyzing powers of all available reaction channels in deuteron-deuteron scattering. With these data we will provide a systematic database, which will be used to test present theoretical approximations and upcoming ab-initio calculations in four-nucleon system.

  2. Quantum chemical study of penicillin: Reactions after acylation

    NASA Astrophysics Data System (ADS)

    Li, Rui; Feng, Dacheng; Zhu, Feng

    The density functional theory methods were used on the model molecules of penicillin to determine the possible reactions after their acylation on ?-lactamase, and the results were compared with sulbactam we have studied. The results show that, the acylated-enzyme tetrahedral intermediate can evolves with opening of ?-lactam ring as well as the thiazole ring; the thiazole ring-open products may be formed via ?-lactam ring-open product or from tetrahedral intermediate directly. Those products, in imine or enamine form, can tautomerize via hydrogen migration. In virtue of the water-assisted, their energy barriers are obviously reduced.

  3. Chemical reactions of As complexation by glutathione: an XAFS study

    NASA Astrophysics Data System (ADS)

    Franco, M. W.; Vasconcelos, I. F.; Modolo, L. V.; Barbosa, F. A. R.

    2016-05-01

    In this study, the chemical reactions between As(III) and As(V) with glutathione, which is a target compound in As biochemistry due to its primordial role in As immobilization and intracellular reduction, in various molar ratios were investigated using As K-edge XAFS spectroscopy. Results showed a gradual substitution of As-O bonds in the coordination of aqueous As(III) and As(V) for three As-S bonds in the As+GSH complex. Moreover, the data showed reduction of As(V) to As(III) prior or concomitant to the As+GSH complex formation.

  4. Equilibrium and non-equilibrium emission of complex fragments

    SciTech Connect

    Bowman, D.R.

    1989-08-01

    Complex fragment emission (Z{gt}2) has been studied in the reactions of 50, 80, and 100 MeV/u {sup 139}La + {sup 12}C, and 80 MeV/u {sup 139}La + {sup 27}Al, {sup nat}Cu, and {sup 197}Au. Charge, angle, and energy distributions were measured inclusively and in coincidence with other complex fragments, and were used to extract the source rapidities, velocity distributions, and cross sections. The experimental emission velocity distributions, charge loss distributions, and cross sections have been compared with calculations based on statistical compound nucleus decay. The binary signature of the coincidence events and the sharpness of the velocity distributions illustrate the primarily 2-body nature of the {sup 139}La + {sup 12}C reaction mechanism between 50 and 100 MeV/u. The emission velocities, angular distributions, and absolute cross sections of fragments of 20{le}Z{le}35 at 50 MeV/u, 19{le}Z{le}28 at 80 MeV/u, and 17{le}Z{le}21 at 100 MeV/u indicate that these fragments arise solely from the binary decay of compound nuclei formed in incomplete fusion reactions in which the {sup 139}La projectile picks up about one-half of the {sup 12}C target. In the 80 MeV/u {sup 139}La + {sup 27}Al, {sup nat}Cu, and {sup 197}Au reactions, the disappearance of the binary signature in the total charge and velocity distributions suggests and increase in the complex fragment and light charged particle multiplicity with increasing target mass. As in the 80 and 100 MeV/u {sup 139}La + {sup 12}C reactions, the lighter complex fragments exhibit anisotropic angular distributions and cross sections that are too large to be explained exclusively by statistical emission. 143 refs., 67 figs.

  5. Study of the fragmentation phenomena of TiO2 nanoparticles produced by femtosecond laser ablation in aqueous media

    NASA Astrophysics Data System (ADS)

    Alnassar, S. I.; Akman, E.; Oztoprak, B. G.; Kacar, E.; Gundogdu, O.; Khaleel, A.; Demir, A.

    2013-10-01

    Since last decade, Pulsed Laser Ablation in Liquid (PLAL) has become an increasingly important technique for the production of the nanoparticles (NPs) since it usually provides high purity nanoparticle systems. This paper reports on the production and fragmentation of titanium oxide TiO2 nanoparticles by pulsed laser ablation of a titanium target immersed in Sodium Dodecyl Sulfate (SDS) solution using an ultrafast Ti:Sapphire laser. After the production of TiO2 nanoparticles for 30 min of laser irradiation, second harmonics of the laser wavelength are re-applied for different energies (180,120, 60 µJ) to SDS solution containing TiO2 colloids in order to fragment relatively large pieces to obtain smaller ones. It was found that size of nanoparticles after the treatment is independent of the initial characteristics of colloids, but depends strongly on laser parameters especially pulse energy and on the presence of chemically active species in the solution. It was reported that particle size and size distribution range can be decreased using second harmonics of Ti:Sapphire laser wavelengths by using different values of energy. Re-irradiation process at average energy value of 180 μJ decreased average particle size from 185 nm to 110 nm. Characterization of the NPs was studied by applying various techniques such as UV-visible (UV-vis.), Transmission Electron Microscope (TEM), Dynamic Light Scattering (DLS) and Fourier Transform Infra-Red (FTIR).

  6. Photosynthetic reaction center of green sulfur bacteria studied by EPR

    SciTech Connect

    Nitschke, W.; Rutherford, A.W. ); Fieler, U. )

    1990-04-24

    Membrane preparations of two species of the green sulfur bacteria Chlorobium have been studied be EPR. Three signals were detected which were attributed to iron-sulfur centers acting as electron acceptors in the photosynthetic reaction center. (1) A signal from a center designated F{sub B}, was photoinduced at 4K. (2) A similar signal, F{sub A}, was photoinduced in addition to the F{sub B} signal upon a short period of illumination at 200 K. (3) Further illumination at 200 K resulted in the appearance of a broad feature at g=1.78. This is attributed to the g{sub x} component of an iron-sulfur center designated F{sub X}. The designations of these signals as F{sub B}, F{sub A}, and F{sub X} are based on their spectroscopic similarities to signals in photosystem I (PS I). The orientation dependence of these EPR signals in ordered Chlorobium membrane multilayers is remarkably similar to that of their PS I homologues. A magnetic interaction between the reduced forms of F{sub B} and F{sub A} occurs, which is also very similar to that seen in PS I. The triplet state of P{sub 840}, the primary electron donor, could be photoinduced at 4 K in samples which had been preincubated with sodium dithionite and methyl viologen and then preilluminated at 200 K. The preillumination reduces the iron-sulfur centers while the preincubation is thought to result in the inactivation of an earlier electron acceptor. Orientation studies of the triplet signal in ordered multilayers indicate that the bacteriochlorophylls which act as the primary electron donor in Chlorobium are arranged with a structural geometry almost identical with that of the special pair in purple bacteria. The Chlorobium reaction center appears to be similar in some respects to both PS I and to the purple bacterial reaction center. This is discussed with regard to the evolution of the different types of reaction centers from a common ancestor.

  7. The angular momentum dependence of complex fragment emission

    SciTech Connect

    Sobtka, L.G.; Sarantites, D.G.; Li, Z.; Dines, E.L.; Halbert, M.L.; Hensley, D.C.; Schmitt, R.P.; Majka, Z.; Nebbia, G.; Griffin, H.C.

    1987-01-01

    Large fragment (A > 4) production at high angular momentum is studied via the reaction, 200 MeV /sup 45/Sc + /sup 65/Cu. Comparisons of the fragment yields from this reaction (high angular momentum) to those from /sup 93/Nb + Be (low angular momentum) are used to verify the strong angular momentum dependence of large fragment production predicted by equilibrium models. Details of the coincident ..gamma..-ray distributions not only confirm a rigidly rotating intermediate but also indicate that the widths of the primary L-wave distributions decrease with increasing symmetry in the decay channel. These data are used to test the asymmetry and L-wave dependence of emission barriers calculated from a rotating, finite range corrected, liquid drop model. 21 refs., 10 figs.

  8. Studies related to the homogeneous catalysis of the water gas shift reaction. Technical progress report, December 1, 1983-November 30, 1984

    SciTech Connect

    Ford, P.C.

    1984-01-01

    Proposed are investigations related to the catalytic activation of carbon monoxide. These studies will be concerned with the design of catalysts for the water gas shift reaction and related processes such as the hydroformylation of olefins by homogeneous solution phase systems as well as by selected metal catalysts heterogenized by complexation to functional polymers. Also under investigation will be quantitative mechanistic aspects of reactions considered key to probable catalyst cycles. These are principally concerned with the fundamental chemistry of metal carbonyl and metal carbnyl hydride complexes including acid/base properties, reductive elimination, substitution and cluster fragmentation reactions and the nucleophilic activation of metal coordinated carbonyls toward reaction with water or dihydrogen. Goal of these studies is to provide chemical guidelines for the molecular design of new and more efficient catalysts for the utilization of carbonaceous materials such as coal for the production of fuels and other organic chemicals.

  9. Studies relevant to the catalytic activation of carbon monoxide: the water gas shift reaction and related processes. Technical progress report, December 1, 1983-November 30, 1984

    SciTech Connect

    Ford, P.C.

    1984-01-01

    Proposed are investigations related to the catalytic activation of carbon monoxide. These studies will be concerned with the design of catalysts for the water gas shift reaction and related processes such as the hydroformylation of olefins by homogeneous solution phase systems as well as by selected metal catalysts heterogenized by complexation to functionalized polymers. Also under investigation will be quantitative mechanistic aspects of reactions considered key to probable catalyst cycles. These are principally concerned with the fundamental chemistry of metal carbonyl and metal carbonyl hydride complexes including acid/base properties, reductive elimination, substitution and cluster fragmentation reactions and the nucleophilic activation of metal coordinated carbonyls toward reaction with water or dihydrogen. The goal of these studies is to provide chemical guidelines for the molecular design of new and more efficient catalysts for the utilization of carbonaceous materials such as coal for the production of fuels and other organic chemicals. 70 references.

  10. Fission Fragment characterization with FALSTAFF at NFS

    NASA Astrophysics Data System (ADS)

    Doré, D.; Farget, F.; Lecolley, F.-R.; Ledoux, X.; Lehaut, G.; Materna, T.; Pancin, J.; Panebianco, S.

    2013-03-01

    The Neutrons for Science (NFS) facility will be one of the first installations of the SPIRAL2 facility. NFS will be composed of a time-of-flight baseline and irradiation stations and will allow studying neutron-induced reactions for energies going from some hundreds of keV up to 40 MeV. Continuous and quasi-monoenergetic energy neutron beams will be available. Taking advantage of this new installation, the development of an experimental setup for a full characterization of actinide fission fragments in this energy domain has been undertaken. To achieve this goal a new detection system called FALSTAFF (Four Arm cLover for the STudy of Actinide Fission Fragments) in under development. In this paper, the characteristics of the NFS facility will be exposed and the motivations for the FALSTAFF experiment will be presented. The experimental setup will be described and the expected resolutions based on realistic GEANT4 simulations will be discussed.

  11. Angular distributions of target fragments from the reactions of 292 MeV - 25. 2 GeV /sup 12/C with /sup 197/Au and /sup 238/U

    SciTech Connect

    Morita, Y.

    1983-05-20

    Angular distributions of target fragments from the reactions of /sup 12/C with /sup 197/Au and /sup 238/U were measured at projectile energies of 292 MeV, 1.0 GeV, 3.0 GeV, 12.0 GeV and 25.2 GeV. The angular distributions of the /sup 197/Au target fragments were all forwardly peaked. Extensively forward peaked angular distributions were observed at the non-relativistic projectile energies (292 MeV, 1.0 GeV). No obvious differences were observed in the angular distributions at the different relativistic projectile energies of 3.0 GeV, 12.0 GeV and 25.2 GeV. The characteristic angular distribution pattern from the relativistic projectile energy experiments was also observed in the non-relativistic energy experiments. Maximum degree of forward-peaking in the angular distributions at each projectile energy was observed at the product mass number (A) around 190 from the 292 MeV projectile energy, at A=180 from 1.0 GeV and at A=175 from 3.0 GeV and 12.0 GeV. In general, two different types of angular distributions were observed in the relativistic projectile energy experiments with the /sup 238/U target. Isotropic angular distributions were observed for the fission product nuclides. The angular distributions of the fission products at the intermediate (292 MeV) energy showed slightly forward- peaked angular distributions. Because of the long projectile-target interaction time in the primary nuclear reaction, larger momentum was transferred from the projectile to the target nucleus. Steep forward-peaked angular distributions were also observed with the /sup 238/U target.

  12. A Study of Primary Collision Dynamics in Inverse-Kinematics Reaction of 78Kr on 40Ca at a Bombarding Energy of 10 MeV per Nucleon

    NASA Astrophysics Data System (ADS)

    Henry, Eric M.

    The CHIMERA multi-detector array at LNS Catania has been used to study the inverse-kinematics reaction of 78Kr + 40Ca at a bombarding energy of 10 A MeV. The multi-detector is capable of detecting individual products of the collision essential for the reconstruction of the collision dynamics. This is the first time CHIMERA has been used at low-energy, which offered a unique challenge for the calibration and interpretation of experimental data. Initial interrogation of the calibrated data revealed a class of selected events characterized by two coincident heavy fragments (atomic number Z>3) that together account for the majority of the total mass of the colliding system. These events are consistent with the complete fusion and subsequent binary split (fission) of a composite nucleus. The observed fission fragments are characterized by a broad A, Z distribution and are centered about symmetric fission while exhibiting relative velocities significantly higher than given by Viola systematics. Additional analysis of the kinematic relationship between the fission fragments was performed. Of note, is that the center-of-mass angular distribution (dsigma/dtheta) of the fission fragments exhibits an unexpected anisotropy inconsistent with a compound-nucleus reaction. This anisotropy is indicative of a dynamic fusion/fission-like process. The observed angular distribution features a forward-backward anisotropy most prevalent for mass-asymmetric events. Furthermore, the more massive fragment of mass-asymmetric events appears to emerge preferentially in the forward direction, along the beam axis. Analysis of the angular distribution of alpha particles emitted from these fission fragments suggests the events are associated mostly with central collisions. The observations associated with this subset of events are similar to those reported for dynamic fragmentation of projectile-like fragments, but have not before been observed for a fusion/fission-like process. Comparisons to

  13. Fine fragmentation distribution from structural reactive material casings under explosive loading

    NASA Astrophysics Data System (ADS)

    Wilson, William; Zhang, Fan; Kim, Kibong

    2015-06-01

    Structural reactive material (SRM) can be used for explosive casings to provide additional blast energy. SRM fragments can react either promptly or after impact with nearby structure. Better understanding of fine fragment distributions from SRM casings is important for optimization of initiation and reaction of the SRM fragments. Key to this is knowledge of the initial fragmentation character before it has been altered by early reaction or by subsequent impact with surrounding structure. The study must be conducted beyond critical charge diameter to minimize effects of the expansion wave on fragment sizes. The collection and analysis of fragment distribution down to 40 micron size from thick SRM casings are therefore investigated in a 1.18 m diameter, 2.1 m3 closed cylindrical chamber filled with artificially-made pure snow packed to density 0.35 g/cm3. The snow quenches early reaction of SRM fragments and soft-catches the fragments before impact with the chamber walls. A 100 g cylindrical C-4 explosive charge is used, packed in a 3.3 cm inner diameter SRM casing, with length-to-diameter ratio of L/d = 2, and casing-to-explosive mass ratio of M/C = 1.75. Three types of SRM are investigated, including a baseline of Aluminum 6061 for comparison. The cased charge is suspended in an argon filled cavity, 20 cm in diameter and 40 cm long, within the snow filed chamber.

  14. Surface studies of lithium-oxygen redox reactions over HOPG

    NASA Astrophysics Data System (ADS)

    Marchini, Florencia; Herrera, Santiago E.; Calvo, Ernesto J.; Williams, Federico J.

    2016-04-01

    The O2/Li2O2 electrode reaction has been studied on low surface area HOPG electrodes in 0.1 M LiPF6 in dimethyl sulfoxide (DMSO) electrolyte. Studies were performed using electrochemical cells coupled to a XPS spectrometer and to an AFM microscope. AFM images after electrochemical treatment at cathodic potentials exhibited 20 to 100 nm in height features, whereas anodic treatment showed a thin film of about 1 nm thickness deposited over the HOPG electrode. XPS spectra after electrochemical treatment showed surface species due to DMSO and LiPF6 decomposition. These findings indicate the high reactivity of oxygen reduction products towards the electrolyte and the solvent. The unwanted deposits formed under electrochemical operation cannot be completely eliminated from the surface even after applying high anodic potentials. This highlights the known loss of capacity of Li-air batteries, issue that must be overcome for successful applications.

  15. [Peroneal reaction time: study of a normal sample].

    PubMed

    Lipke, K; Tannheimer, M; Benesch, S; Gerngross, H; Becker, H P; Schmidt, R

    2001-12-01

    Chronic functional instability is a residual problem after acute ankle sprain. Reasons may be weak ligaments and/or a deficit in the proprioceptive system. Studies have shown that peroneal reaction time (PRT) can be used to quantify proprioceptive performance. To test the influence of anthropometric data on PRT, an experimental study with 120 healthy volunteers was performed. Surface electrodes recorded the activity of the peroneal muscles after a sudden inversion on a tilting platform. It was found that PRT is not influenced by extrinsic or anthropometric data. Furthermore, the results prove a significant slackening in PRT with increasing age. Therefore, the patient's age must to be considered in judging the PRT. PMID:11803722

  16. Polymerase chain reaction-restriction fragment length polymorphism (PCR-RFLP) and amplification refractory mutation system (ARMS) analyses of medicinally used Rheum species and their application for identification of Rhei Rhizoma.

    PubMed

    Yang, Dong-Ye; Fushimi, Hirotoshi; Cai, Shao-Qing; Komatsu, Katsuko

    2004-05-01

    Previously, we have determined marker nucleotides on the chloroplast matK gene to identify Rheum palmatum, R. tanguticum and R. officinale used as Rhei Rhizoma officially. In the present study, we further developed a convenient and efficient identification method on the basis of marker nucleotides with Amplification Refractory Mutation System analysis. On the basis of the nucleotide substitutions at positions 367 and 937 among the three species on the matK gene, at each position two kinds of reverse primers with complementary 3'-terminal nucleotides were designed. Upon PCR amplification using three sets of primers and template DNA from each species, one or two fragments (202 bp or/and 770 bp) were detected. As the resultant three fragment profiles were species-specific, the procedure enabled us to classify the botanic origins of 22 drug samples of Rhei Rhizoma. PMID:15133241

  17. The human sunburn reaction: histologic and biochemical studies

    SciTech Connect

    Gilchrest, B.A.; Soter, N.A.; Stoff, J.S.; Mihm, M.C. Jr.

    1981-01-01

    The ultraviolet-induced erythema reaction was investigated histologically and biochemically in four subjects, utilizing suction blister aspirates, analyzed for histamine and prostaglandin E2 (PGE2), and Epon-embedded 1-mu skin biopsy sections from control skin and from irradiated skin at intervals for 72 hours after exposure to a Hanovia lamp. Major histologic alterations in the epidermis included dyskeratotic and vacuolated keratinocytes (sunburn cells), and disappearance of Langerhans cells. In the dermis the major changes were vascular, involving both the superficial and deep venular plexuses. Endothelial cell enlargement was first apparent within 30 minutes of irradiation, peaked at 24 hours, and persisted throughout the 72-hour study period. Mast cell degranulation and associated perivenular edema were first apparent at 1 hour and striking at the onset of erythema, 3 to 4 hours postirradiation; edema was absent and mast cells were again normal in number and granule content at 24 hours. Histamine levels rose approximately fourfold above control values immediately after the onset of erythema and returned to baseline within 24 hours. PGE2 levels were statistically elevated even before the onset of erythema and reached approximately 150% of the control value at 24 hours. These data provide the first evidence that histamine may mediate the early phase of the human sunburn reaction and increase our understanding of its complex histologic and biochemical sequelae.

  18. A Discrete Model to Study Reaction-Diffusion-Mechanics Systems

    PubMed Central

    Weise, Louis D.; Nash, Martyn P.; Panfilov, Alexander V.

    2011-01-01

    This article introduces a discrete reaction-diffusion-mechanics (dRDM) model to study the effects of deformation on reaction-diffusion (RD) processes. The dRDM framework employs a FitzHugh-Nagumo type RD model coupled to a mass-lattice model, that undergoes finite deformations. The dRDM model describes a material whose elastic properties are described by a generalized Hooke's law for finite deformations (Seth material). Numerically, the dRDM approach combines a finite difference approach for the RD equations with a Verlet integration scheme for the equations of the mass-lattice system. Using this framework results were reproduced on self-organized pacemaking activity that have been previously found with a continuous RD mechanics model. Mechanisms that determine the period of pacemakers and its dependency on the medium size are identified. Finally it is shown how the drift direction of pacemakers in RDM systems is related to the spatial distribution of deformation and curvature effects. PMID:21804911

  19. Space shuttle orbiter reaction control system jet interaction study

    NASA Technical Reports Server (NTRS)

    Rausch, J. R.

    1975-01-01

    The space shuttle orbiter has forward mounted and rear mounted Reaction Control Systems (RCS) which are used for orbital maneuvering and also provide control during entry and abort maneuvers in the atmosphere. The effects of interaction between the RCS jets and the flow over the vehicle in the atmosphere are studied. Test data obtained in the NASA Langley Research Center 31 inch continuous flow hypersonic tunnel at a nominal Mach number of 10.3 is analyzed. The data were obtained with a 0.01 scale force model with aft mounted RCS nozzles mounted on the sting off of the force model balance. The plume simulations were accomplished primarily using air in a cold gas simulation through scaled nozzles, however, various cold gas mixtures of Helium and Argon were also tested. The effect of number of nozzles was tested as were limited tests of combined controls. The data show that RCS nozzle exit momentum ratio is the primary correlating parameter for effects where the plume impinges on an adjacent surface and mass flow ratio is the parameter where the plume interaction is primarily with the external stream. An analytic model of aft mounted RCS units was developed in which the total reaction control moments are the sum of thrust, impingement, interaction, and cross-coupling terms.

  20. Fission fragment driven neutron source

    DOEpatents

    Miller, Lowell G.; Young, Robert C.; Brugger, Robert M.

    1976-01-01

    Fissionable uranium formed into a foil is bombarded with thermal neutrons in the presence of deuterium-tritium gas. The resulting fission fragments impart energy to accelerate deuterium and tritium particles which in turn provide approximately 14 MeV neutrons by the reactions t(d,n).sup.4 He and d(t,n).sup.4 He.

  1. A study of the Sabatier-methanation reaction kinetics

    NASA Technical Reports Server (NTRS)

    Verostko, C. E.; Forsythe, R. K.

    1974-01-01

    The kinetics of the Sabatier methanation reaction, the reduction of carbon dioxide with hydrogen to methane and water, was investigated for 58 percent nickel on kieselguhr catalyst and 20 percent ruthenium on alumina catalyst. Differential rate data from an experimental program were correlated with a power function rate equation both for forward and reverse reactions. The kinetic parameters of activation energy, frequency rate constant and reaction order were determined for the rate equation. The values of these parameters were obtained from an Arrhenius plot of the experimental differential rate data. Also the carbon monoxide side reaction effect was measured and included in the correlation of parameters. The reaction was found to fit the rate equation experimentally within the temperature range 421 K, where the reaction effectively begins, the 800 K where the reaction rate drops and departs from the rate equation form.

  2. A kinetic study of the CH2OO Criegee intermediate self-reaction, reaction with SO2 and unimolecular reaction using cavity ring-down spectroscopy.

    PubMed

    Chhantyal-Pun, Rabi; Davey, Anthony; Shallcross, Dudley E; Percival, Carl J; Orr-Ewing, Andrew J

    2015-02-01

    Criegee intermediates are important species formed during the ozonolysis of alkenes. Reaction of stabilized Criegee intermediates with various species like SO2 and NO2 may contribute significantly to tropospheric chemistry. In the laboratory, self-reaction can be an important loss pathway for Criegee intermediates and thus needs to be characterized to obtain accurate bimolecular reaction rate coefficients. Cavity ring-down spectroscopy was used to perform kinetic measurements for various reactions of CH2OO at 293 K and under low pressure (7 to 30 Torr) conditions. For the reaction CH2OO + CH2OO (8), a rate coefficient k8 = (7.35 ± 0.63) × 10(-11) cm(3) molecule(-1) s(-1) was derived from the measured CH2OO decay rates, using an absorption cross section value reported previously. A rate coefficient of k4 = (3.80 ± 0.04) × 10(-11) cm(3) molecule(-1) s(-1) was obtained for the CH2OO + SO2 (4) reaction. An upper limit for the unimolecular CH2OO loss rate coefficient of 11.6 ± 8.0 s(-1) was deduced from studies of reaction (4). SO2 catalysed CH2OO isomerization or intersystem crossing is proposed to occur with a rate coefficient of (3.53 ± 0.32) × 10(-11) cm(3) molecule(-1) s(-1). PMID:25553776

  3. MCNP6 Simulation of Light and Medium Nuclei Fragmentation at Intermediate Energies

    SciTech Connect

    Mashnik, Stepan Georgievich; Kerby, Leslie Marie

    2015-08-24

    Fragmentation reactions induced on light and medium nuclei by protons and light nuclei of energies around 1 GeV/nucleon and below are studied with the Los Alamos transport code MCNP6 and with its CEM03.03 and LAQGSM03.03 event generators. CEM and LAQGSM assume that intermediate-energy fragmentation reactions on light nuclei occur generally in two stages. The first stage is the intranuclear cascade (INC), followed by the second, Fermi breakup disintegration of light excited residual nuclei produced after the INC. CEM and LAQGSM account also for coalescence of light fragments (complex particles) up to sup>4He from energetic nucleons emitted during INC. We investigate the validity and performance of MCNP6, CEM, and LAQGSM in simulating fragmentation reactions at intermediate energies and discuss possible ways of further improving these codes.

  4. MCNP6 simulation of light and medium nuclei fragmentation at intermediate energies

    NASA Astrophysics Data System (ADS)

    Mashnik, Stepan G.; Kerby, Leslie M.

    2016-05-01

    Fragmentation reactions induced on light and medium nuclei by protons and light nuclei of energies around 1 GeV/nucleon and below are studied with the Los Alamos transport code MCNP6 and with its CEM03.03 and LAQGSM03.03 event generators. CEM and LAQGSM assume that intermediate-energy fragmentation reactions on light nuclei occur generally in two stages. The first stage is the intranuclear cascade (INC), followed by the second, Fermi breakup disintegration of light excited residual nuclei produced after the INC. CEM and LAQGSM account also for coalescence of light fragments (complex particles) up to 4He from energetic nucleons emitted during INC. We investigate the validity and performance of MCNP6, CEM, and LAQGSM in simulating fragmentation reactions at intermediate energies and discuss possible ways of further improving these codes.

  5. [Reaction mechanism studies of heavy ion induced nuclear reactions]. [Dept. of Chemistry and Biochemistry, Univ. of Maryland, College Park, Maryland

    SciTech Connect

    Mignerey, A.C.

    1993-02-01

    Completed work is summarized on the topics of excitation energy division in deep-inelastic reactions and the onset of multifragmentation in La-induced reactions at E/A = 45 MeV. Magnetic fields are being calculated for the PHOBOS detector system, a two-arm multiparticle spectrometer for studying low-transverse-momentum particles produced at the Relativistic Heavy Ion Collider. The Maryland Forward Array is being developed for detection of the reaction products from very peripheral collisions; it consists of two individual units of detectors: the annular silicon detector in front and the plastic phoswich detector at back.

  6. Gas-phase reaction study of disilane pyrolysis: Applications to low pressure chemical vapor deposition

    SciTech Connect

    Johannes, J.E.; Ekerdt, J.G. . Dept. of Chemical Engineering)

    1994-08-01

    The gas-phase thermal reactions during disilane decomposition at low pressure chemical vapor deposition conditions were studied from 300 to 1,000 K using resonance enhanced multiphoton ionization (REMPI) and multiphoton ionization (MPI). REMPI of gas-phase Si, mass 28, was detected from 640 to 840 K and 1 to 10 Torr, with a maximum signal intensity between 700 to 720 K. During disilane decomposition, no SiH (427.8 nm), SiH[sub 2] (494-515 nm), or SiH[sub 3] (419.0 nm) was detected. MPI of higher silanes, silenes, and silylenes were detected through mass fragments 2, 32, and 60; these species reached a maximum signal intensity 20 degrees prior to the mass-28 maximum. Modeling studies that included a detailed low pressure gas-phase kinetic scheme predict relative gas-phase partial pressures generated during disilane pyrolysis. The model predicted experimental trends in the Si partial pressure and the higher silane, silene, and silylene partial pressures.

  7. Velocity map imaging as a tool for gaining mechanistic insight from closed-loop control studies of molecular fragmentation

    SciTech Connect

    Jochim, Bethany; Averin, R.; Gregerson, Neal; Wells, E.; McKenna, J.; De, S.; Ray, D.; Zohrabi, M.; Carnes, K. D.; Ben-Itzhak, I.; Bergues, B.; Kling, M. F.

    2011-04-15

    Strong-field closed-loop control schemes using shaped ultrafast laser pulses have been used to selectively fragment a variety of molecules in recent years. The resulting pulses are often complex and resist an easy mechanistic interpretation. We report on the use of velocity map imaging to study the dissociative ionization of CO molecules by optimally-shaped ultrafast laser pulses. Using this technique, a mechanism is identified for the optimized CO{sup +} {yields} C + O{sup +} dissociation, and some of the observed control over the CO{sup +} dissociation branching ratio is ascribed to an angular discrimination effect. Furthermore, we demonstrate that the acquisition of two-dimensional velocity map images is rapid enough to incorporate directly into the adaptive control loop.

  8. Study on the performance of polycarboxylate-based superplasticizers synthesized by reversible addition-fragmentation chain transfer (RAFT) polymerization

    NASA Astrophysics Data System (ADS)

    Yu, Binbin; Zeng, Zhong; Ren, Qinyu; Chen, Yang; Liang, Mei; Zou, Huawei

    2016-09-01

    A series of block type polycarboxylate-based superplasticizers (PCs) with different molecular architectures were synthesized with macromonomer butenyl alkylene polyoxyethylene-polyoxypropylene ether (BAPP) and acrylic acid (AA) by reversible addition-fragmentation chain transfer (RAFT) polymerization. Fourier-Transformed Infrared (FTIR) Spectroscopy and dynamic light scattering (DLS) were applied to investigate the PCs' molecular structure. The dispersion capacity of the PCs in cement were also measured, and the results showed that the polycarboxylic dispersing agents prepared by this method were suitable for portlant cement. It was found that the PCs could affect the hydration process, which was performed through retarding the generation of ettringite in the hydrated product. Our studies with X-ray diffraction (XRD), scanning electron microscopy (SEM) and compressive strength measurement of hydrated production were all supporting this conclusion.

  9. Computational Chemistry in the Undergraduate Laboratory: A Mechanistic Study of the Wittig Reaction

    ERIC Educational Resources Information Center

    Albrecht, Birgit

    2014-01-01

    The Wittig reaction is one of the most useful reactions in organic chemistry. Despite its prominence early in the organic chemistry curriculum, the exact mechanism of this reaction is still under debate, and this controversy is often neglected in the classroom. Introducing a simple computational study of the Wittig reaction illustrates the…

  10. Laboratory studies of the kinetics of tropospheric and stratospheric atom and radical reactions

    NASA Technical Reports Server (NTRS)

    Golde, Michael F.

    1987-01-01

    Direct measurements of reaction rate constants and branching fractions for elementary reactions necessary in the modeling of the troposphere or stratosphere are provided. Details of reaction mechanisms are elucidated by studying pressure and temperature dependences of reactions, as well as by use of isotopic labels. Measurement techniques are improved for radical species in the laboratory. Progress and results in each area are given.

  11. Reaction studies of hot silicon and germanium radicals. Progress report, September 1, 1979-August 31, 1980

    SciTech Connect

    Gaspar, P.P.

    1980-08-31

    The experimental approach to attaining the goals of this research program is briefly outlined and the progress made in the last year is reviewed in sections entitled: (a) primary steps in the reaction of recoiling silicon and germanium atoms and the identification of reactive intermediates in the recoil reactions; (b) thermally induced silylene and germylene reactions; (c) ion-molecule reaction studies.

  12. MCNP6 fragmentation of light nuclei at intermediate energies

    NASA Astrophysics Data System (ADS)

    Mashnik, Stepan G.; Kerby, Leslie M.

    2014-11-01

    Fragmentation reactions induced on light target nuclei by protons and light nuclei of energies around 1 GeV/nucleon and below are studied with the latest Los Alamos Monte Carlo transport code MCNP6 and with its cascade-exciton model (CEM) and Los Alamos version of the quark-gluon string model (LAQGSM) event generators, version 03.03, used as stand-alone codes. Such reactions are involved in different applications, like cosmic-ray-induced single event upsets (SEU's), radiation protection, and cancer therapy with proton and ion beams, among others; therefore, it is important that MCNP6 simulates them as well as possible. CEM and LAQGSM assume that intermediate-energy fragmentation reactions on light nuclei occur generally in two stages. The first stage is the intranuclear cascade (INC), followed by the second, Fermi breakup disintegration of light excited residual nuclei produced after the INC. Both CEM and LAQGSM account also for coalescence of light fragments (complex particles) up to 4He from energetic nucleons emitted during INC. We investigate the validity and performance of MCNP6, CEM, and LAQGSM in simulating fragmentation reactions at intermediate energies and discuss possible ways of further improving these codes.

  13. Direct reactions for nuclear structure and nuclear astrophysics

    SciTech Connect

    Jones, Katherine Louise

    2014-12-18

    Direct reactions are powerful probes for studying the atomic nucleus. Modern direct reaction studies are illuminating both the fundamental nature of the nucleus and its role in nucleosynthetic processes occurring in the cosmos. This report covers experiments using knockout reactions on neutron-deficient fragmentation beams, transfer reactions on fission fragment beams, and theoretical sensitivity studies relating to the astrophysical r-process. Results from experiments on 108,106Sn at the NSCL, and on 131Sn at HRIBF are presented as well as the results from the nucleosynthesis study.

  14. Specific Conjugation of the Hinge Region for Homogeneous Preparation of Antibody Fragment-Drug Conjugate: A Case Study for Doxorubicin-PEG-anti-CD20 Fab' Synthesis.

    PubMed

    Zhou, Zhan; Zhang, Jing; Zhang, Yan; Ma, Guanghui; Su, Zhiguo

    2016-01-20

    Conventional preparation strategies for antibody-drug conjugates (ADCs) result in heterogeneous products with various molecular sizes and species. In this study, we developed a homogeneous preparation strategy by site-specific conjugation of the anticancer drug with an antibody fragment. The model drug doxorubicin (DOX) was coupled to the Fab' fragment of anti-CD20 IgG at its permissive sites through a heterotelechelic PEG linker, generating an antibody fragment-drug conjugate (AFDC). Anti-CD20 IgG was digested and reduced specifically with β-mercaptoethylamine to generate the Fab' fragment with two free mercapto groups in its hinge region. Meanwhile, DOX was conjugated with α-succinimidylsuccinate ω-maleimide polyethylene glycol (NHS-PEG-MAL) to form MAL-PEG-DOX, which was subsequently linked to the free mercapto containing Fab' fragment to form a Fab'-PEG-DOX conjugate. The dual site-specific bioconjugation was achieved through the combination of highly selective reduction of IgG and introduction of heterotelechelic PEG linker. The resulting AFDC provides an utterly homogeneous product, with a definite ratio of one fragment to two drugs. Laser confocal microscopy and cell ELISA revealed that the AFDC could accumulate in the antigen-positive Daudi tumor cell. In addition, the Fab'-PEG-DOX retained appreciable targeting ability and improved antitumor activity, demonstrating an excellent therapeutic effect on the lymphoma mice model for better cure rate and significantly reduced side effects. PMID:26700095

  15. Study of cluster structures in 10Be and 16C neutron-rich nuclei via break-up reactions

    NASA Astrophysics Data System (ADS)

    Dell'Aquila, D.; Acosta, L.; Amorini, F.; Andolina, R.; Auditore, L.; Berceanu, I.; Cardella, G.; Chatterjiee, M. B.; De Filippo, E.; Francalanza, L.; Gnoffo, B.; Grzeszczuk, A.; Lanzalone, G.; Lombardo, I.; Martorana, N.; Minniti, T.; Pagano, A.; Pagano, E. V.; Papa, M.; Pirrone, S.; Politi, G.; Pop, A.; Porto, F.; Quattrocchi, L.; Rizzo, F.; Rosato, E.; Russotto, P.; Trifirò, A.; Trimarchi, M.; Verde, G.; Vigilante, M.

    2016-05-01

    Projectile break-up reactions induced on polyethylene (CH2) target are used in order to study the spectroscopy of 10Be and 16C nuclei. For the present experiment we used 10Be and 16C beams delivered by the FRIBs facility at INFN-LNS, and the CHIMERA 4π multi-detector. 10Be and 16C structures are studied via a relative energy analysis of break-up fragments. The 4He+6He break-up channel allowed us to study the spectroscopy of 10Be; in particular we find evidence of a new state in 10Be at 13.5 MeV excitation energy. The 16C nucleus is studied via 6He-10Be correlation; we find the fingerprint of a possible state at about 20.6 MeV

  16. Theoretical study of reactions at the electrode-electrolyte interface

    SciTech Connect

    Halley, J.W.

    1993-01-01

    Electron transfer rates are predicted by numerical methods, in a collaboration with Argonne National Laboratory . Emphasis is on electron transfer involving ions known to be important in enhancing stress corrosion cracking in light water reactors and on electron transfer at oxide surfaces. We have produced a new theory for description of the Jahn Teller effect in the solvation shell of the cuprous ion in aqueous solution, have implemented it in a molecular dynamics simulation and compared the results with experimental neutron scattering measurements on solutions containing the cuprous ion. A large amount of numerical data has been collected on the transition state of the ferrous ferric electron transfer reaction at an electrode. Work was completed on a polarizable and dissociable model of water for use in the electron transfer studies. New calculations of the conductivity in models of oxides have shown the existence of impurity conduction bands in such models for the first time.

  17. Study of molybdenum electrodes for hydrogen evolution reaction

    NASA Astrophysics Data System (ADS)

    Padilha, Janine Carvalho; Martini, Emilse Maria Agostini; Brum, Cauã; de Souza, Michèle Oberson; de Souza, Roberto Fernando

    The molybdenum electrode, Mo, has been investigated for hydrogen production via water electrolysis in 10 vol.% aqueous solutions of 1-butyl-3-methylimidazolium tetrafluoroborate (BMI·BF 4) using electrochemical impedance spectroscopy (EIS). The EIS measurements show that the Mo system has much higher interfacial capacitance, and correspondently the electrical double layer formed on this electrode is thicker than those formed on nickel or platinum. The positive displacement of potential of zero charge (PZC) values indicates the specific adsorption of the imidazolium cation on the Mo surface. This study provides an elegant explanation for the better performance of Mo electrodes in the hydrogen evolution reaction (HER): the BMI cation acts as an intermediate for the proton transfer from water to the electrode surface, thereby decreasing the overpotential of HER. This model explains the synergism between Mo and the BMI cation in the HER process.

  18. Reaction between Chromium(III) and EDTA Ions: an Overlooked Mechanism of Case Study Reaction of Chemical Kinetics.

    PubMed

    Cerar, Janez

    2015-01-01

    Widely cited and accepted explanation of reaction mechanism of the case study reaction of chemical kinetics between Cr(III) ions and ethylenediaminetetraacetic acid (EDTA) contradicts modern chromium(III) coordination chemistry data. Absorption UV and visible light spectra were recorded during the reaction between aqueous solution of Cr(NO(3))(3) and EDTA in order to obtain new information about this reaction. Analysis of the spectra showed that only very small fraction of intermediates may be present in solution during the course of the reaction. The reaction scheme was established and according to it calculations based on a simplified model were carried out. Literature data for constants were used if known, otherwise, adjusted values of their sound estimates were applied. Reasonable agreement of the model calculations with the experimental data was obtained for pH values 3.8 and 4.5 but the model failed to reproduce measured rate of reaction at pH 5.5, probably due to the use of the oversimplified model. PMID:26454587

  19. A microgenetic study of learning about the molecular theory of matter and chemical reactions

    NASA Astrophysics Data System (ADS)

    Chinn, Clark Allen

    This paper reports the results of an experimental microgenetic study of children learning complex knowledge from text and experiments. The study had two goals. The first was to investigate fine-grained, moment-to-moment changes in knowledge as middle-school students learned about molecules and chemical reactions over thirteen sessions. The second was to investigate the effects of two instructional treatments, one using implicit textbook explanations and one using explicit explanations developed according to a theory of how scientific knowledge is structured. In the study, 61 sixth- and seventh-graders worked one on one with undergraduate instructors in eleven sessions of about 50 to 80 minutes. The instructors guided the students in conducting experiments and thinking out loud about texts. Topics studied included molecules, states of matter, chemical reactions, and heat transfer. A dense array of questions provided a detailed picture of children's moment-to-moment and day-to-day changes in knowledge. Three results chapters address students' preinstructional knowledge, the effects of the experimental treatment at posttest, and five detailed case studies of students' step-by-step knowledge change over eleven sessions. The chapter on preinstructional knowledge discussed three aspects of global knowledge change: conceptual change, coherence, and entrenchment. Notably, this chapter provides systematic evidence that children's knowledge was fragmented and that consistency with general unifying principles did not guarantee a highly coherent body of knowledge. The experimental manipulation revealed a strong advantage for explicit explanations over implicit textbook explanations. Multiple explicit explanations (e.g., highly explicit explanations of three or four chemical reactions) appeared to be necessary for students to master key concepts. Microgenetic analyses of five cases addressed eight empirical issues that should be addressed by any theory of knowledge acquisition

  20. Insight and Figurative Language in Psychotherapy: Two Fragments of a Case Study.

    ERIC Educational Resources Information Center

    Barlow, Jack M.; And Others

    This study discusses the role figurative language can play in promoting insight in a patient undergoing psychotherapy. The first part of the study reviews some of the research into the nature of creative insight; the next section discusses some of the research relating to the value of metaphor in the treatment of schizophrenic patients. The major…

  1. Combinatorial Consensus Scoring for Ligand-Based Virtual Fragment Screening: A Comparative Case Study for Serotonin 5-HT(3)A, Histamine H(1), and Histamine H(4) Receptors.

    PubMed

    Schultes, Sabine; Kooistra, Albert J; Vischer, Henry F; Nijmeijer, Saskia; Haaksma, Eric E J; Leurs, Rob; de Esch, Iwan J P; de Graaf, Chris

    2015-05-26

    In the current study we have evaluated the applicability of ligand-based virtual screening (LBVS) methods for the identification of small fragment-like biologically active molecules using different similarity descriptors and different consensus scoring approaches. For this purpose, we have evaluated the performance of 14 chemical similarity descriptors in retrospective virtual screening studies to discriminate fragment-like ligands of three membrane-bound receptors from fragments that are experimentally determined to have no affinity for these proteins (true inactives). We used a complete fragment affinity data set of experimentally determined ligands and inactives for two G protein-coupled receptors (GPCRs), the histamine H1 receptor (H1R) and the histamine H4 receptor (H4R), and one ligand-gated ion channel (LGIC), the serotonin receptor (5-HT3AR), to validate our retrospective virtual screening studies. We have exhaustively tested consensus scoring strategies that combine the results of multiple actives (group fusion) or combine different similarity descriptors (similarity fusion), and for the first time systematically evaluated different combinations of group fusion and similarity fusion approaches. Our studies show that for these three case study protein targets both consensus scoring approaches can increase virtual screening enrichments compared to single chemical similarity search methods. Our cheminformatics analyses recommend to use a combination of both group fusion and similarity fusion for prospective ligand-based virtual fragment screening. PMID:25815783

  2. Kinetic studies of the hydroxyl radical reaction with PAHs

    NASA Astrophysics Data System (ADS)

    Ananthula, Rajeshwar

    An existing quartz optical reactor heating system was designed to permit higher temperature kinetic measurements more closely associated with post-combuston conditions (up to 1200 K). A pulsed laser photolysis/pulsed laser-induced fluorescence (PLP/PLIF) technique was then applied with this modified reactor to study the OH radical kinetics with polycyclic aromatic hydrocarbons (PAHs). The kinetics of the reaction of a surrogate three-ring PAH, anthracene (and its deuterated form) with hydroxyl (OH) radicals was investigated over the temperature range of 373 to 1200 K. This study represents the first examination of the OH kinetics for this class of reactions at elevated temperatures (>470 K). The results indicate a complex temperature dependence similar to that observed for simpler aromatic compounds, e.g., benzene. At low temperatures (373-498 K), the rate measurements exhibited Arrhenius behavior (1.82 x 10-11 exp(542.35/T) in units of cm3 molecule -1 s-1) and kinetic isotope effect (KIE) measurements were consistent with an OH addition mechanism. The low temperature results are extrapolated to atmospheric temperatures and compared with previous measurements. Rate measurements between 673 and 923 K exhibited a sharp decrease in the magnitude of the rate coefficients (a factor of 9). KIE measurements under these conditions were still consistent with an OH addition mechanism. The following modified Arrhenius equation is the best fit to our anthracene measurements between 373 and 923 K, 8.17 x 1014 T-8.3 exp(-3171.71/T) (in units of cm3 molecule-1 s-1). For a limited temperature range between 1000 and 1200 K, the rate measurements exhibited an apparent positive temperature dependence with the following Arrhenius equation the best fit to the data, 2.18 x 10-11*exp(-1734.11/T) (in units of cm3molecule-1s -1). KIE measurements above 999 K were slightly larger than unity, but inclusive regarding the mechanism of the reaction. Theoretical calculations of the KIE indicate

  3. Competitive proton and hydride transfer reactions via ion-neutral complexes: fragmentation of deprotonated benzyl N-phenylcarbamates in mass spectrometry.

    PubMed

    Yao, Liqing; Chai, Yunfeng; Sun, Cuirong; Pan, Yuanjiang

    2015-02-01

    The gas-phase chemistry of deprotonated benzyl N-phenylcarbamates was investigated by electrospray ionization tandem mass spectrometry. Characteristic losses of a substituted phenylcarbinol and a benzaldehyde from the precursor ion were proposed to be derived from an ion-neutral complex (INC)-mediated competitive proton and hydride transfer reactions. The intermediacy of the INC consisting of a substituted benzyloxy anion and a phenyl isocyanate was supported by both ortho-site-blocking experiments and density functional theory calculations. Within the INC, the benzyloxy anion played the role of either a proton abstractor or a hydride donor toward its neutral counterpart. Relative abundances of the product ions were influenced by the nature of the substituents. Electron-withdrawing groups at the N-phenyl ring favored the hydrogen transfer process (including proton and hydride transfer), whereas electron-donating groups favored direct decomposition to generate the benzyloxy anion (or substituted benzyloxy anion). By contrast, electron-withdrawing and electron-donating substitutions at the O-benzyl ring exhibited opposite effects. PMID:25800018

  4. An exploratory study of zoo visitors' exhibit experiences and reactions.

    PubMed

    Luebke, Jerry F; Matiasek, Jennifer

    2013-01-01

    Visiting a zoo or aquarium is not only fun, but can also have a positive impact on visitors' knowledge and attitudes regarding animals and the environment. The biggest challenge, however, is for these institutions to strategically provide opportunities for cognitive and affective learning while simultaneously facilitating enjoyment and fun. Recent studies in zoos and aquaria have examined various factors that can influence learning such as engaging visitors' emotions or connecting with visitors' prior knowledge and interests. The intent of the current study was to further this line of investigation and explore the relationship between visitors' predispositions and their cognitive and affective experiences and reactions as they walked through an animal exhibit. We selected three indoor immersion exhibits and one outdoor naturalistic exhibit for the study to obtain a wide range of different animals and exhibit settings. Research assistants randomly intercepted visitors leaving the exhibits and asked, among other things, the extent they experienced certain thoughts and feelings while they were walking through the exhibits. Results revealed that visitors' emotional responses to viewing animals were key experiences along with opportunities for introspection and reflection during their time in the exhibits. Implications of the study are discussed in reference to providing both fun and meaningful learning experiences for visitors. PMID:23740472

  5. On the FCNS ⇆ FC(NS) reaction: A matrix isolation and theoretical study

    NASA Astrophysics Data System (ADS)

    Tajti, Attila; Mück, Leonie Anna; Farkas, Ádám László; Krebsz, Melinda; Pasinszki, Tibor; Tarczay, György; Szalay, Péter G.

    2015-04-01

    The FCNS ⇆ FC(NS) photoisomerization process is a simple model system for molecular switches. Here, we examined the switching processes by experimental and theoretical methods. Prior matrix-isolation IR spectroscopic studies were complemented by matrix-isolation UV spectroscopic measurements to assist the interpretation of the mechanism of the ring closure and opening processes and to verify the accuracy of the computations on the vertical excitation energies. Vertical excitation energies were computed by the EOMEE-CCSD, MCSCF, and MR-CISD methods. Conical intersections were also searched for and three conical intersections along the reaction path FCNS → FC(NS) were located, one conical intersection between the 2A‧ and 1A″ state, one between the 1A″ and 1A‧ state and one where all three states intersect. The ring opening and closing processes were simulated by non-adiabatic dynamics propagation with the trajectory surface hopping method. The combined computational and experimental results suggest that upon 365 nm irradiation the ring closure FCNS → FC(NS) occurs under participation of all three conical intersections, while 254 nm irradiation causes ring opening FC(NS) → FCNS. Both processes, especially the ring opening, are accompanied by fragmentation into FCN+S.

  6. Modeling study on the cleavage step of the self-splicing reaction in group I introns

    NASA Technical Reports Server (NTRS)

    Setlik, R. F.; Garduno-Juarez, R.; Manchester, J. I.; Shibata, M.; Ornstein, R. L.; Rein, R.

    1993-01-01

    A three-dimensional model of the Tetrahymena thermophila group I intron is used to further explore the catalytic mechanism of the transphosphorylation reaction of the cleavage step. Based on the coordinates of the catalytic core model proposed by Michel and Westhof (Michel, F., Westhof, E. J. Mol. Biol. 216, 585-610 (1990)), we first converted their ligation step model into a model of the cleavage step by the substitution of several bases and the removal of helix P9. Next, an attempt to place a trigonal bipyramidal transition state model in the active site revealed that this modified model for the cleavage step could not accommodate the transition state due to insufficient space. A lowering of P1 helix relative to surrounding helices provided the additional space required. Simultaneously, it provided a better starting geometry to model the molecular contacts proposed by Pyle et al. (Pyle, A. M., Murphy, F. L., Cech, T. R. Nature 358, 123-128. (1992)), based on mutational studies involving the J8/7 segment. Two hydrated Mg2+ complexes were placed in the active site of the ribozyme model, using the crystal structure of the functionally similar Klenow fragment (Beese, L.S., Steitz, T.A. EMBO J. 10, 25-33 (1991)) as a guide. The presence of two metal ions in the active site of the intron differs from previous models, which incorporate one metal ion in the catalytic site to fulfill the postulated roles of Mg2+ in catalysis. The reaction profile is simulated based on a trigonal bipyramidal transition state, and the role of the hydrated Mg2+ complexes in catalysis is further explored using molecular orbital calculations.

  7. Quantum dynamics study for D{sub 2} + OH reaction

    SciTech Connect

    Zhang, Y.; Zhang, D.; Li, W.; Zhang, Q.; Wang, D.; Zhang, D.H.; Zhang, J.Z.H.

    1995-11-16

    A PA5D (potential averaged 5D) TD (time-dependent) quantum wave-packet calculation is reported for the reaction D{sub 2} + OH {yields} D + DOH on the Schatz-Elgersma potential energy surface. The dynamics calculation is carried out on a workstation with a modest memory, which is made possible by using a normalized angular quadrature scheme to minimize the requirement for computer memory during wave-packet propagation. Reaction probabilities, cross sections, and rate constants are presented for the title reaction, and the comparison of the present result with those of the isotopic reactions, H{sub 2} + OH and HD + OH, is given. Consistent with its isotopic reactions, the rotational orientation of D{sub 2} has a stronger effect than that of OH and, in particular, the D{sub 2} (j=1) reactant produces the largest reaction probability, which is attributed to a general steric effect. The comparison of all three isotopic reactions shows that the reactivity (reaction probability and cross section) of the HH(D) + OH system is in the order of P{sub H(2)} > P{sub HD} > P{sub D(2)}. This trend is in good agreement with reduced dimensionality calculations. 27 refs., 8 figs., 4 tabs.

  8. Thermal degradation reaction mechanism of xylose: A DFT study

    NASA Astrophysics Data System (ADS)

    Huang, Jinbao; He, Chao; Wu, Longqin; Tong, Hong

    2016-08-01

    The thermal degradation reaction mechanism of xylose as hemicellulose model compound was investigated by using density functional theory methods M062X with the 6-31++G(d,p) basis set. Eight possible pyrolytic reaction pathways were proposed and the standard kinetic and thermodynamic parameters in all reaction pathways were calculated at different temperatures. In reaction pathway (1), xylose is first transformed into acyclic containing-carbonyl isomer, and then the isomer further decomposes through four possible pyrolysis pathways (1-1)-(1-4). Pathways (2) and (3) depict an immediate ring-opening process through the simultaneous breaking of C-O and C-C bonds. Pathways (4)-(7) describe the pyrolysis processes of various anhydro-xyloses through a direct ring-opening process. Pathway (8) gives the evolutionary process of pyranones. The calculation results show that reaction pathways (1), (2) and (5) are the major reaction channels and reaction pathways (3), (4), and (6)-(8) are the competitive reaction channels in pyrolysis of xylose. The major products of xylose pyrolysis are low molecular products such as 2-furaldehyde, glycolaldehyde, acetaldehyde, methylglyoxal and acetone, and the main competitive products are formaldehyde, formic acid, acetic acid, CO2, CH4, acetol, pyranone, and so on.

  9. A study of parton fragmentation in hadronic Z 0 decays using Λ Λ correlations

    NASA Astrophysics Data System (ADS)

    OPAL Collaboration; Abbiendi, G.; et al.

    2000-03-01

    The correlated production of Λ and Λ baryons has been studied using 4.3 million multihadronic Z0 decays recorded with the Opal detector at Lep. Lambda pairs were investigated in the full data sample and for the first time also in 2-jet and 3-jet events selected with the k⊥ algorithm. The distributions of rapidity differences from correlated Λ Λ pairs exhibit short-range, local correlations and prove to be a sensitive tool to test models, particularly for 2-jet events. The Jetset model describes the data best but some extra parameter tuning is needed to improve agreement with the experimental results in the rates and the rapidity spectra simultaneously. The recently developed modification of Jetset, the MOdified Popcorn Scenarium (Mops), and also Herwig do not give satisfactory results. This study of di-lambda production in 2- and 3-jet events supports the short-range compensation of quantum numbers.

  10. Pump-probe studies of fragmentation of a fast HD+ beam

    NASA Astrophysics Data System (ADS)

    Zohrabi, M.; Berry, Ben; Severt, T.; Jochim, Bethany; Feizollah, Peyman; Raju P., Kanaka; Rajput, Jyoti; Carnes, K. D.; Esry, B. D.; Ben-Itzhak, I.

    2016-05-01

    Studies of fast molecular ion beams in strong-field ultrafast lasers are of particular interest for benchmark molecules, like H2+,H3+and HeH+. However, the low target density of a typical ion beam puts severe limits on studies of the time evolution through the implementation of the pump-probe technique. We have recently conducted a first-of-its-kind NIR-pump - NIR-probe measurement on a few-keV HD+ beam target. Specifically, the first pulse initiates the dissociation of the HD+, while the second ionizes the molecule during its dissociation. We have observed enhancement in the ionization yield of the dissociating wave packet at about 24 and 200 fs, corresponding to internuclear distances estimated classically to be about 15 and 85 a.u., respectively. The unexpected enhancement at very large internuclear separation has not been previously observed in pump-probe studies of neutral hydrogen molecules. Supported by the Chemical Sciences, Geosciences, and Biosciences Division, Office of Basic Energy Sciences, Office of Science, U. S. Department of Energy. BJ was also supported in part by DOE-SCGF (DE-AC05-06OR23100).

  11. A dynamic study of fragmentation and energy loss during high velocity impact

    NASA Technical Reports Server (NTRS)

    Zee, Ralph H.

    1992-01-01

    Research conducted under this contract can be divided into two main areas: hypervelocity (in the range up to 7 km/s) and high velocity (less than 1 km/s). Work in the former was performed at NASA-MSFC using the Light Gas Gun Facility. The lower velocity studies were conducted at Auburn University using the ballistic gun. The emphasis of the project was on the hypervelocity phenomenon especially in the characterization of the debris cloud formed by the primary impact events. Special devices were made to determine the angular distributions of momentum and energy of the debris cloud as a function of impact conditions. After several iteration processes, it was decided to concentrate on the momentum effort. Prototype devices were designed, fabricated, and tested. These devices were based on the conservation of momentum. Distributions of the debris cloud formed were measured by determining the amount of momentum transferred from the debris cloud to strategically placed pendulum measurement devices. The motion of the pendula was monitored using itegrated opto-interrupters. The distribution of momentum in the debris cloud was found to be a strong function of the impact condition. Small projectiles at high velocities were observed to produce finely dispersed debris whereas large projectiles generated discrete particles in the debris. Results also show that the momentum in the forward direction was enhanced due to the impact. This phenomenon of momentum multiplication was also observed in other studies and in computer simulations. It was initially planned to determine the energy distribution using deformation energy in a rod with strain gauges. Results from preliminary studies show that this technique is acceptable but too tedious. A new technique was explored based on measuring the heating effect of the debris cloud using an IR camera. The feasibility and sensitivity was established at Auburn University. This type of energy distribution measurement method can easily be

  12. Development and the fragmented self: longitudinal study of dissociative symptomatology in a nonclinical sample.

    PubMed

    Ogawa, J R; Sroufe, L A; Weinfield, N S; Carlson, E A; Egeland, B

    1997-01-01

    Dissociative behaviors and their relation to both the self and self-organization were examined using the developmental psychopathology perspective in a prospective longitudinal study of high-risk children. Participants were 168 young adults (n = 79 females, n = 89 males, age = 18-19 years) considered high-risk for poor developmental outcomes at birth due to poverty. The present study investigated whether trauma, sense of self, quality of early mother-child relationship, temperament, and intelligence were related to dissociative symptomatology measured at four times across 19 years. Findings were (a) age of onset, chronicity and severity of trauma were highly correlated and predicted level of dissociation; (b) both the avoidant and disorganized patterns of attachment were strong predictors of dissociation; (c) dissociation in childhood may be a more normative response to disruption and stress, while dissociation in adolescence and young adulthood may be more indicative of psychopathology; (d) preliminary support was found for a model proposed by G. Liotti that links disorganized attachment, later trauma, and dissociation in adulthood; and (e) strong support was found for N. Waller, F. W. Putnam, and E. B. Carlson's contention that psychopathological dissociation should not be viewed as the top end of a continuum of dissociative symptomatology, but as a separate taxon that represents an extreme deviation from normal development. PMID:9449009

  13. Theoretical insights into thermal cyclophanediene to dihydropyrene electrocyclic reactions; a comparative study of Woodward Hoffmann allowed and forbidden reactions.

    PubMed

    Saima, Bibi; Khan, Afsar; Nisa, Riffat Un; Mahmood, Tariq; Ayub, Khurshid

    2016-04-01

    The thermally allowed electrocyclic reaction syn-cyclophanediene (CPD) to dihydropyrene (DHP) was compared with the disallowed thermal electrocyclic reaction in anti CPD through density functional theory (DFT) calculations at the B3LYP/6-31 + G(d) level. Moreover, the results were also compared with the electrocyclization of 1,3,5 hexatriene to 1,3-cyclohexadiene . The Woodward-Hoffmann (W-H) allowed thermal reaction in syn CPD 11 has a calculated activation barrier of 6.23 kcal mol(-1), compared with 29 kcal mol(-1) for the electrocyclization of 1,3,5 hexatriene to 1,3-cyclohexadiene. The enhanced acceleration of electrocyclization is believed to arise from geometrically enforced spatially aligned termini of the hexatriene. Substituents at the electrocyclic terminus of cyclophanediene significantly affected (up to three fold) the activation barriers. Mono-substitution of CPD has substituent dependent acceleration or deceleration whereas di-substitution always increased the activation barrier. The activation barrier for electrocyclization in 33 is 4.44 kcal mol(-1), which is the lowest activation barrier for any thermal electrocyclic reaction. Cyclophanedienes (CPDs) substituted with electron-rich substituents cyclized with high activation barriers and vice versa, a phenomenon significantly different from electrocyclic reaction of 1,3,5-hexatriene where no such trend is traceable. Comparison of W-H allowed and forbidden electrocyclization in syn and anti CPDs, respectively, revealed quite similar electronic demand, although the transition states are different in nature. The transition state for a W-H forbidden reaction is biradicaloid, with most of the spin density at the electrocyclic termini; however, the transition state for a W-H allowed reaction has no such contribution. We also believe that this is the first study of its type, where W-H allowed and forbidden reactions are compared on a similar set of molecules, and compared for electronic effect

  14. Nuclear structure and reaction studies at medium energies

    SciTech Connect

    Hoffmann, G.W.; Ray, R.L.

    1990-10-01

    This document constitutes the (1988--1991) technical progress report for the ongoing medium energy physics research program supported by the US Department of Energy through special Research Grant FG05-88ER40444. The experiments discussed are conducted at the Los Alamos National Laboratory's (LANL) Clinton P. Anderson Meson Physics Facility (LAMPF), the Alternating Gradient Synchrotron (AGS) facility of the Brookhaven National Laboratory (BNL), and at the Fermi National Accelerator Laboratory (FNAL). The overall motivation for the work discussed in this document is driven by three main objectives: (1) provide hadron-nucleon and hadron-nucleus scattering data which serve to facilitate the study of effective two-body interactions, test (and possibly determine) nuclear structure, and help study reaction mechanisms and dynamics;(2) provide unique, first-of-a-kind exploratory'' hadron-nucleus scattering data in the hope that such data will lead to discovery of new phenomena and new physics; and (3) perform precision tests of fundamental interactions, such as rare decay searches, whose observation would imply fundamental new physics.

  15. Next-generation transfer reaction studies with JENSA

    NASA Astrophysics Data System (ADS)

    Chipps, K. A.

    2015-04-01

    Next generation radioactive ion beam facilities are being planned and built across the globe, and with them an incredible new array of exotic isotopes will be available for study. To keep pace with the state of nuclear physics research, both new detector systems and new target systems are needed. The Jet Experiments in Nuclear Structure and Astrophysics (JENSA) gas jet target is one of these new target systems, designed to provide a target of light gas that is localized, dense, and pure. The JENSA gas jet target was originally constructed at Oak Ridge National Laboratory for testing and characterization, and has now moved to the ReA3 reaccelerated beam hall at the National Superconducting Cyclotron Laboratory (NSCL) at Michigan State University for use with radioactive beams. The availability of a pure, localized target of light gases will enable exceptional scattering and transfer reaction studies with these exotic beams. Some examples will be given, and future plans will be discussed. This work is supported by the US DOE Office of Science (Office of Nuclear Physics) and the NSF.

  16. Synthesis and studies of anticancer properties of lupane-type triterpenoid derivatives containing a cisplatin fragment.

    PubMed

    Emmerich, Daniel; Vanchanagiri, Kranthi; Baratto, Leopoldo C; Schmidt, Harry; Paschke, Reinhard

    2014-03-21

    Both betulinic acid 1 and cisplatin are promising antitumor agents, which induce apoptotic cell death of cancer cells. In the present investigation a new series of betulinic acid-cisplatin conjugates were synthesized and cytotoxicity and selectivity were assessed against five different tumor cell lines. The aim was to combine two structural units, both related with apoptosis induction. The derivatives exerted a dose-dependent antiproliferative action at micromolar concentrations and the effect of these structural variations on anticancer activity was studied and discussed. Several compounds revealed significant antitumor activity, as the most active substance 3-O-acetylbetulinic (2-(2-aminoethyl)aminoethyl)amide (IC50=1.30-2.24 μM). Interestingly, Betulinic acid-cisplatin conjugates were less cytotoxic than the precursors. PMID:24561674

  17. NMR Studies of Biodegradation Reactions in Porous Media

    NASA Astrophysics Data System (ADS)

    Mitreiter, I.; Oswald, S. E.; Stallmach, F.

    2007-12-01

    Subsurface contamination caused by organic compounds is a widespread environmental problem. Biodegradation is the main process to reduce the mass of organic contaminants in soils and groundwater. Often the biodegradation is limited by the supply of electron acceptors at the location of the contaminants, and mixing and diffusion are therefore coupled to the degradation process. Nuclear magnetic resonance (NMR) allows non- invasive and non-destructive insight into diffusion processes and effects of microbial biomass on the pore scale, where the mixing and degradation processes actually are taking place. Studying key processes non-invasively with high temporal resolution will contribute to a better understanding of the effective biodegradation rates of organic contaminants in saturated porous systems. The application of 1H NMR relaxometry and PFG NMR diffusometry provide the possibilities to study diffusive transport at the mixing zones in porous media, where contaminants and electron acceptors show strong concentration gradients due to degradation reactions. Nuclear spin relaxation times of water reflect its interaction with the porous media as well as the biomass. To localize microbial biomass the mobility of the water molecules (relaxation times) can be classified corresponding to bound water in the biomass and bulk water. Oxygen is the most important electron acceptor that stimulate the activity and growth of aerobic microbes, and iron(III) a major one for anaerobes. In our work we applied low field (0.2 T) and high field (3 T) NMR measurements to analyze the diffusion in water and biomass and to monitor the concentration changes of electron acceptors. The experimental setup consists of small columns containing saturated porous media applying inversion recovery (IR) and pulsed field gradient (PFG) sequences. We show that both, oxygen as well as iron(III) affect the relaxation times by their paramagnetic properties, and can be determined by NMR relaxometry in

  18. Complex fragment emission in binary and multifragment decay of very hot nuclear systems

    SciTech Connect

    Moretto, L.G.; Blumenfeld, Y.; Delis, D.; Wozniak, G.J.

    1990-07-01

    Low-energy compound nucleus emission of complex fragments in the reaction {sup 63}Cu + {sup 12}C is used to infer the associated ridge-line potential. Compound binary emission of complex fragments at higher energies is illustrated for a variety of reactions. Complex fragment emission from 35 and 40 MeV/N {sup 139}La + {sup 12}C, {sup 27}Al, {sup 40}Ca and {sup 51}V reactions has been studied. Multifragment events from these reactions were assigned to sources characterized by their energy and mass through the incomplete-fusion-model kinematics. Excitation functions for the various multifragment channels appear to be nearly independent of the system and bombarding energy. Preliminary comparisons of the data with sequential-statistical-decay calculations are discussed.

  19. Virtual fragment screening on GPCRs: a case study on dopamine D3 and histamine H4 receptors.

    PubMed

    Vass, Márton; Schmidt, Éva; Horti, Ferenc; Keserű, György M

    2014-04-22

    Prospective structure based virtual fragment screening methodologies on two GPCR targets namely the dopamine D3 and the histamine H4 receptors with a library of 12,905 fragments were evaluated. Fragments were docked to the X-ray structure and the homology model of the D3 and H4 receptors, respectively. Representative receptor conformations for ensemble docking were obtained from molecular dynamics trajectories. In vitro confirmed hit rates ranged from 16% to 32%. Hits had high ligand efficiency (LE) values in the range of 0.31-0.74 and also acceptable lipophilic efficiency. The X-ray structure, the homology model and structural ensembles were all found suitable for docking based virtual screening of fragments against these GPCRs. However, there was little overlap among different hit sets and methodologies were thus complementary to each other. PMID:24607587

  20. Reaction studies of hot silicon, germanium and carbon atoms

    SciTech Connect

    Gaspar, P.P.

    1989-02-01

    Research has been continued on hot silicon, germanium and carbon atoms. The results of experiments directed toward attaining the goals of this research program are briefly presented for the period September 1, 1987 to January 31, 1989 in sections entitled: (1) The mechanism of hydrogen acquisition by high energy silicon atoms. (2) The mechanism of disilene formation in the reactions of recoiling silicon atoms with silane. (3) The contribution of ionic processes to the primary reactions of recoiling silicon atoms. (4) The role of phosphine in hydrogen acquisition by recoiling silicon atoms. (5) Mechanism of reaction of recoiling carbon atoms with aromatic molecules.

  1. Reaction mechanism and rate constants of the CH+CH4 reaction: a theoretical study

    NASA Astrophysics Data System (ADS)

    Ribeiro, Joao Marcelo; Mebel, Alexander M.

    2015-07-01

    Ab initio and density functional calculations have been performed to elucidate the mechanism of CH radical insertion into methane. The results show that the reaction can be viewed to occur via two stages. On the first stage, the CH radical approaches methane without large structural changes to acquire proper positioning for the subsequent stage, where H-migration occurs from CH4 to CH, along with a C-C bond formation. Where the first stage ends and the second begins, a tight transition state was located using the B3LYP/6-311G(d,p) and MP4(SDQ)/6-311++G(d,p) methods. Using a rigid rotor - harmonic oscillator approach within transition state theory, we show that at the MP5/6-311++G(d,p)//MP4(SDQ)/6-311++G(d,p) level the calculated rate constants are in a reasonably good agreement with experiment in a broad temperature range of 145-581 K. Even at low temperatures, the insertion reaction bottleneck is found about the location of the tight transition state, rather than at long separations between the CH and CH4 reactants. In addition, high level CCSD(T)-F12/CBS calculations of the remainder of the C2H5 potential energy surface predict the CH+CH4 reaction to proceed via the initial insertion step to the ethyl radical which then can emit a hydrogen atom to form highly exothermic C2H4+H products.

  2. a Model Study of Complex Behavior in the Belousov - Reaction.

    NASA Astrophysics Data System (ADS)

    Lindberg, David Mark

    1988-12-01

    We have studied the complex oscillatory behavior in a model of the Belousov-Zhabotinskii (BZ) reaction in a continuously-fed stirred tank reactor (CSTR). The model consisted of a set of nonlinear ordinary differential equations derived from a reduced mechanism of the chemical system. These equations were integrated numerically on a computer, which yielded the concentrations of the constituent chemicals as functions of time. In addition, solutions were tracked as functions of a single parameter, the stability of the solutions was determined, and bifurcations of the solutions were located and studied. The intent of this study was to use this BZ model to explore further a region of complex oscillatory behavior found in experimental investigations, the most thorough of which revealed an alternating periodic-chaotic (P-C) sequence of states. A P-C sequence was discovered in the model which showed the same qualitative features as the experimental sequence. In order to better understand the P-C sequence, a detailed study was conducted in the vicinity of the P-C sequence, with two experimentally accessible parameters as control variables. This study mapped out the bifurcation sets, and included examination of the dynamics of the stable periodic, unstable periodic, and chaotic oscillatory motion. Observations made from the model results revealed a rough symmetry which suggests a new way of looking at the P-C sequence. Other nonlinear phenomena uncovered in the model were boundary and interior crises, several codimension-two bifurcations, and similarities in the shapes of areas of stability for periodic orbits in two-parameter space. Each earlier model study of this complex region involved only a limited one-parameter scan and had limited success in producing agreement with experiments. In contrast, for those regions of complex behavior that have been studied experimentally, the observations agree qualitatively with our model results. Several new predictions of the model

  3. Nuclear-reaction studies via the observation of unbound outgoing systems

    SciTech Connect

    Bice, A.N.

    1982-01-01

    The mechanisms involved in the production of fast ..cap alpha..-particles in /sup 12/C induced reactions have been investigated for the /sup 12/C + /sup 208/Pb system at bombarding energies of E(/sup 12/C) = 132, 187 and 230 MeV. Absolute cross sections have been determined for the reactions /sup 208/Pb (/sup 12/C, /sup 8/Be (g.s.)), /sup 208/Pb(/sup 12/C, /sup 8/Be (2.94 MeV)) and /sup 208/Pb (/sup 12/C, /sup 12/C* ..-->.. ..cap alpha.. + /sup 8/Be) by double and triple coincidence measurements of the sequential decay ..cap alpha..-particles. Inclusive ..cap alpha..-particle production cross sections were also measured at E (/sup 12/C) = 187 MeV for comparison. It is found that the simple inelastic scattering process (/sup 12/C, /sup 12/C* ..-->.. ..cap alpha.. + /sup 8/Be) does not contribute significantly to the production of fast ..cap alpha..-particles but that the production of /sup 8/Be nuclei by projectile fragmentation is an important source of ..cap alpha..-particles. At the highest bombarding energy investigated (19 MeV/A) it appears that the /sup 12/C ..-->.. 3..cap alpha.. fragmentation reaction becomes more prominent at the expense of the /sup 12/C ..-->.. ..cap alpha.. + /sup 8/Be fragmentation channel. It is concluded that projectile spectroscopic properties and/or final state interactions are important in fragmentation reactions for these bombarding energies. In a kinematically complete experiment the direct and the sequential breakup channels of 10 MeV/A /sup 7/Li projectiles have been investigated with /sup 12/C and /sup 208/Pb targets. By appropriate arrangement of detector telescopes it was possible to define a kinematical window which allowed for the unambigious observation of both the direct (to the ..cap alpha..-t continuum) and the sequential components of a heavy-ion projectile breakup reaction. A semiclassical Monte Carlo type projectile breakup calculation was constructed which qualitatively reproduced the measured ..cap alpha

  4. SPECTROSCOPIC STUDY OF SURFACE REDOX REACTIONS WITH MANGANESE OXIDES

    EPA Science Inventory

    Redox reactions involving soil minerals and materials are important processes in environmental chemistry, but unfortunately they only have been characterized in the solution phase. he lack of a suitable method has prevented investigations of the mineral surface component of redox...

  5. Merged-beams Reaction Studies of O + H3+

    NASA Astrophysics Data System (ADS)

    de Ruette, N.; Miller, K. A.; O'Connor, A. P.; Urbain, X.; Buzard, C. F.; Vissapragada, S.; Savin, D. W.

    2016-01-01

    We have measured the reaction of {{O}}+{{H}}{}3+ forming OH+ and {{{H}}}2{{{O}}}+. This is believed to be one of the key gas-phase astrochemical processes initiating the formation of water molecules in dense molecular clouds. For this work, we have used a novel merged fast-beams apparatus that overlaps a beam of {{{H}}}3+ onto a beam of ground-term neutral O. Here, we present cross-section data for forming OH+ and {{{H}}}2{{{O}}}+ at relative energies from ≈3.5 meV to ≈15.5 and 0.13 eV, respectively. Measurements were performed for statistically populated O{(}3{P}J) in the ground term reacting with hot {{H}}{}3+ (with an internal temperature of ˜2500-3000 K). From these data, we have derived rate coefficients for translational temperatures from ≈27 K to ˜105 K for the formation of OH+ and ˜103 K for the formation of H2O+. In order to convert these results to a thermal rate coefficient suitable for astrochemistry, we have added the results together for both exit channels and scaled the summed data on statistically populated oxygen to thermally populated oxygen. For this we have used theory as a guide, thereby accounting for the temperature dependence of the O fine-structure levels. Our results are in good agreement with two independent flowing afterglow measurements at a temperature of ≈300 K, and with a corresponding level of {{{H}}}3+ internal excitation. This good agreement suggests that the internal excitation of the {{{H}}}3+ does not play a significant role in this reaction. The Langevin rate coefficient is in reasonable agreement with the experimental results at 10 K but a factor of ˜2 larger at 300 K. The two published classical trajectory studies using quantum-mechanical potential energy surfaces lie a factor of ˜1.5 above our experimental results over this 10-300 K range.

  6. Specific fragmentation of the K-shell excited/ionized pyridine derivatives studied by electron impact: 2-, 3- and 4-methylpyridine.

    PubMed

    Sakai, Masamichi; Okada, Kazumasa; Ohno, Keiichi; Tabayashi, Kiyohiko

    2010-03-01

    Fragmentation of the pyridine ring upon K-shell excitation/ionization has been studied with gaseous 2-, 3- and 4-methylpyridine by the electron-impact method. Ab initio molecular orbital (MO) calculations were also carried out to explore electronic states correlating with specific fragments. Some specific fragmentation channels were identified from the ionic fragments enhanced characteristically at the N 1s edge. Yields of the C(2)HN(+) and C(5)H(5)(+)/C(5)H(6)(+) ions show that the fission of the N-C2 and C4-C5/C5-C6 bonds of the ring is likely to occur after the N 1s excitation and ionization. Ab initio MO calculations for the 2-methylpyridine molecule indicate that the dissociation channels to produce these ions are only accessible through the excited states of the parent molecular dication, which can be formed by Auger decays after the N 1s ionization. Fragment ions via hydrogen rearrangement are produced as well, but the rearrangement is not a phenomenon specific to the K-shell excitation/ionization. PMID:20166104

  7. Azimuthal distributions of fission fragments and. alpha. particles emitted in the reactions sup 36 Ar+ sup 238 U at E / A =20 and 35 MeV and sup 14 N+ sup 238 U at E / A =50 MeV

    SciTech Connect

    Tsang, M.B.; Kim, Y.D.; Carlin, N.; Chen, Z.; Gelbke, C.K.; Gong, W.G.; Lynch, W.G.; Murakami, T.; Nayak, T.; Ronningen, R.M.; Xu, H.M.; Zhu, F. Department of Physics Astronomy, Michigan State University, East Lansing, MI ); Sobotka, L.G.; Stracener, D.W.; Sarantites, D.G.; Majka, Z.; Abenante, V. )

    1990-07-01

    Azimuthal correlations between coincident fission fragments and {alpha} particles were measured for the reactions {sup 36}Ar+{sup 238}U at {ital E}/{ital A}=20 and 35 MeV and {sup 14}N+{sup 238}U at {ital E}/{ital A}=50 MeV. At all energies, coplanar emission is enhanced. The azimuthal distributions for fission fragments and {alpha} particles are decoupled using a simple parametrization. Both azimuthal distributions are highly anisotropic at lower incident energies; these anisotropies decrease with energy. At the highest incident energies, energetic {alpha} particles emitted at large transverse momenta appear to be more suited than fission fragments to tag the orientation of the entrance channel reaction plane.

  8. IS PROTOSTELLAR HEATING SUFFICIENT TO HALT FRAGMENTATION? A CASE STUDY OF THE MASSIVE PROTOCLUSTER G8.68-0.37

    SciTech Connect

    Longmore, S. N.; Pillai, T.; Keto, E.; Zhang, Q.; Qiu, K.

    2011-01-10

    If star formation proceeds by thermal fragmentation and the subsequent gravitational collapse of the individual fragments, how is it possible to form fragments massive enough for O and B stars in a typical star-forming molecular cloud where the Jeans mass is about 1 M{sub sun} at the typical densities (10{sup 4} cm{sup -3}) and temperatures (10 K)? We test the hypothesis that a first generation of low-mass stars may heat the gas enough that subsequent thermal fragmentation results in fragments {>=}10 M{sub sun}, sufficient to form B stars. We combine ATCA and Submillimeter Array observations of the massive star-forming region G8.68-0.37 with radiative transfer modeling to derive the present-day conditions in the region and use this to infer the conditions in the past, at the time of core formation. Assuming that the current mass/separation of the observed cores equals the fragmentation Jeans mass/length and the region's average density has not changed requires the gas temperature to have been 100 K at the time of fragmentation. The postulated first generation of low-mass stars would still be around today, but the number required to heat the cloud exceeds the limits imposed by the observations. Several lines of evidence suggest the observed cores in the region should eventually form O stars yet none have sufficient raw material. Even if feedback may have suppressed fragmentation, it was not sufficient to halt it to this extent. To develop into O stars, the cores must obtain additional mass from outside their observationally defined boundaries. The observations suggest that they are currently fed via infall from the very massive reservoir ({approx}1500 M{sub sun}) of gas in the larger parsec scale cloud around the star-forming cores. This suggests that massive stars do not form in the collapse of individual massive fragments, but rather in smaller fragments that themselves continue to gain mass by accretion from larger scales.

  9. Deexcitation processes in nuclear reactions. [Dept. of Chemistry, Purdue Univ

    SciTech Connect

    Porile, N.T.

    1980-08-01

    The following studies, currently in progress, are discussed: angular distributions and differential ranges of Ba fragments from the interaction of /sup 238/U with 0.8-to 400- GeV protons; target A dependence of the angular distribution of Sc fragments emitted in 400-GeV proton interactions; energy spectra of isotopically resolved fragments emitted in high-energy proton interactions with noble gases; comparative study of fragments emission in the interaction of Cu-U with relativistic /sup 12/C ions and high-energy protons; excitation functions of the /sup 127/I(..pi../sup + -/,..pi../sup + -/xn) reactions. 7 figures.

  10. Fragmentation of cancer cells

    NASA Astrophysics Data System (ADS)

    Vanapalli, Siva; Kamyabi, Nabiollah

    Tumor cells have to travel through blood capillaries to be able to metastasize and colonize in distant organs. Among the numerous cells that are shed by the primary tumor, very few survive in circulation. In vivo studies have shown that tumor cells can undergo breakup at microcapillary junctions affecting their survival. It is currently unclear what hydrodynamic and biomechanical factors contribute to fragmentation and moreover how different are the breakup dynamics of highly and weakly metastatic cells. In this study, we use microfluidics to investigate flow-induced breakup of prostate and breast cancer cells. We observe several different modes of breakup of cancer cells, which have striking similarities with breakup of viscous drops. We quantify the breakup time and find that highly metastatic cancer cells take longer to breakup than lowly metastatic cells suggesting that tumor cells may dynamically modify their deformability to avoid fragmentation. We also identify the role that cytoskeleton and membrane plays in the breakup process. Our study highlights the important role that tumor cell fragmentation plays in cancer metastasis. Cancer Prevention and Research Institute of Texas.

  11. Do all inter-patch movements represent dispersal? A mixed kernel study of butterfly mobility in fragmented landscapes.

    PubMed

    Hovestadt, Thomas; Binzenhöfer, Birgit; Nowicki, Piotr; Settele, Josef

    2011-09-01

    1. In times of ongoing habitat fragmentation, the persistence of many species is determined by their dispersal abilities. Consequently, understanding the rules underlying movement between habitat patches is a key issue in conservation ecology. 2. We have analysed mark-release-recapture (MRR) data on inter-patches movements of the Dusky Large Blue butterfly Maculinea nausithous in a fragmented landscape in northern Bavaria, Germany. The aim of the analysis was to quantify distance dependence of dispersal as well as to evaluate the effect of target patch area on immigration probability. For statistical evaluation, we apply a 'reduced version' of the virtual migration model (VM), only fitting parameters for dispersal distance and immigration. In contrast to other analyses, we fit a mixed dispersal kernel to the MRR data. 3. A large fraction of recaptures happened in other habitat patches than those where individuals were initially caught. Further, we found significant evidence for the presence of a mixed dispersal kernel. The results indicate that individuals follow different strategies in their movements. Most movements are performed over small distances, nonetheless involving travelling between nearby habitat patches (median distance c. 480 m). A small fraction (c. 0·025) of the population has a tendency to move over larger distances (median distance c. 3800 m). Further, immigration was positively affected by patch area (I∼A(ζ) ), with the scaling parameter ζ = 0·5. 4. Our findings should help to resolve the long-lasting dispute over the suitability of the negative exponential function vs. inverse-power one for modelling dispersal. Previous studies on various organisms found that the former typically gives better overall fit to empirical distance distributions, but that the latter better represents long-distance movement probabilities. As long-distance movements are more important for landscape-level effects and thus, e.g. for conservation-oriented analyses

  12. Protein fragment bimolecular fluorescence complementation analyses for the in vivo study of protein-protein interactions and cellular protein complex localizations.

    PubMed

    Waadt, Rainer; Schlücking, Kathrin; Schroeder, Julian I; Kudla, Jörg

    2014-01-01

    The analyses of protein-protein interactions are crucial for understanding cellular processes including signal transduction, protein trafficking, and movement. Protein fragment complementation assays are based on the reconstitution of protein function when non-active protein fragments are brought together by interacting proteins that were genetically fused to these protein fragments. Bimolecular fluorescence complementation (BiFC) relies on the reconstitution of fluorescent proteins and enables both the analysis of protein-protein interactions and the visualization of protein complex formations in vivo. Transient expression of proteins is a convenient approach to study protein functions in planta or in other organisms and minimizes the need for time-consuming generation of stably expressing transgenic organisms. Here we describe protocols for BiFC analyses in Nicotiana benthamiana and Arabidopsis thaliana leaves transiently transformed by Agrobacterium infiltration. Further, we discuss different BiFC applications and provide examples for proper BiFC analyses in planta. PMID:24057390

  13. Neutron-induced reactions in the hohlraum to study reaction in flight neutrons

    NASA Astrophysics Data System (ADS)

    Boswell, M. S.; Elliott, S. R.; Guiseppe, V.; Kidd, M.; Rundberg, B.; Tybo, J.

    2013-04-01

    We are currently developing the physics necessary to measure the Reaction In Flight (RIF) neutron flux from a NIF capsule. A measurement of the RIF neutron flux from a NIF capsule could be used to deduce the stopping power in the cold fuel of the NIF capsule. A foil irradiated at the Omega laser at LLE was counted at the LANL low-background counting facility at WIPP. The estimated production rate of 195Au was just below our experimental sensitivity. We have made several improvements to our counting facility in recent months. These improvements are designed to increase our sensitivity, and include installing two new low-background detectors, and taking steps to reduce noise in the signals.

  14. Neutron-induced reactions in the hohlraum to study reaction in flight neutrons

    SciTech Connect

    Boswell, M. S.; Elliott, S. R.; Tybo, J.; Guiseppe, V.; Rundberg, B.; Kidd, M.

    2013-04-19

    We are currently developing the physics necessary to measure the Reaction In Flight (RIF) neutron flux from a NIF capsule. A measurement of the RIF neutron flux from a NIF capsule could be used to deduce the stopping power in the cold fuel of the NIF capsule. A foil irradiated at the Omega laser at LLE was counted at the LANL low-background counting facility at WIPP. The estimated production rate of {sup 195}Au was just below our experimental sensitivity. We have made several improvements to our counting facility in recent months. These improvements are designed to increase our sensitivity, and include installing two new low-background detectors, and taking steps to reduce noise in the signals.

  15. Studies of nuclear reaction at very low energies

    SciTech Connect

    Cecil, F.E.

    1992-01-15

    The deuteron radiative capture reactions on {sup 2}H, {sup 6}Li and {sup 10}B have been measured between center of mass energies of 20 and 140 keV. Of note is the observation that the gamma ray-to-charged particle branching ratio for the DD reaction appears independent of energy down to a center of mass energy of 20 keV, consistent with some and contrary to other theoretical models. We have investigated the ratio of the reactions D(d,p)T and D(d,n){sup 3}He down to c.m. energies of 3 keV and the ratio of the reactions 6Li(d,p){sup 7}Li and {sup 6}LI(d,{alpha}){sup 4}He down to a c.m. energy of 19 keV. The DD reaction ratio is independent of energy while the (d,p) branch of the D-{sup 6}Li evinces a significant enhancement at the lowest measured energies. We have continued our investigation of charged particle production from deuterium-metal systems at a modest level of activity. Noteworthy in this investigation is the observation of 3 MeV protons from deuteron beam loaded Ti and LiD targets subjected to extreme thermal disequilibria. Significant facility improvements were realized during the most recent contract period. Specifically the downstream magnetic analysis system proposed to eliminate beam induced contaminants has been installed and thoroughly tested. This improvement should allow the D(a,{gamma}){sup 6}Li reaction to be measured in the coming contract period. A scattering chamber required for the measurement of the {sup 7}Li({sup 3}He,p){sup 9}Be reaction has been designed, fabricated and installed on the accelerator. A CAMAC based charged particle identification system has been assembled also for use in our proposed measurement of the {sup 7}Li({sup 3}He, p){sup 9}Be.

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

    NASA Technical Reports Server (NTRS)

    Jachimowski, C. J.

    1975-01-01

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

  17. Interaction of Cu(II) and Ni(II) with Ypk9 Protein Fragment via NMR Studies

    PubMed Central

    Peana, Massimiliano Francesco; Medici, Serenella; Ledda, Alessia; Nurchi, Valeria Marina; Zoroddu, Maria Antonietta

    2014-01-01

    P1D2E3K4H5E6L7 (PK9-H), a fragment of Ypk9, the yeast homologue of the human Park9 protein, was studied for its coordination abilities towards Ni(II) and Cu(II) ions through mono- and bi-dimensional NMR techniques. Both proteins are involved in the transportation of metal ions, including manganese and nickel, from the cytosol to the lysosomal lumen. Ypk9 showed manganese detoxification role, preventing a Mn-induced Parkinsonism (PD) besides mutations in Park9, linked to a juvenile form of the disease. Here, we tested PK9-H with Cu(II) and Ni(II) ions, the former because it is an essential element ubiquitous in the human body, so its trafficking should be strictly regulated and one cannot exclude that Ypk9 may play a role in it, and the latter because, besides being a toxic element for many organisms and involved in different pathologies and inflammation states, it seems that the protein confers protection against it. NMR experiments showed that both cations can bind PK9-H in an effective way, leading to complexes whose coordination mode depends on the pH of the solution. NMR data have been used to build a model for the structure of the major Cu(II) and Ni(II) complexes. Structural changes in the conformation of the peptide with organized side chain orientation promoted by nickel coordination were detected. PMID:24790577

  18. Fragmentation of doubly charged ammonia cations NH{3/++} studied by the photoion-photoion coincidence (PIPICO) method

    NASA Astrophysics Data System (ADS)

    Winkoun, D.; Dujardin, G.

    1986-03-01

    Doubly charged NH{3/++} cations were produced by double photoionization of neutral ammonia molecules by using the synchrotron radiation from ACO as a photon source of variable energy in the 35 49 eV energy range. The fragmentation of NH{3/++} was studied by the photoion-photoion coincidence (PIPICO) method. NH{3/++} cations were produced in thetilde X^1 A 1 andtilde B^1 electronic states of which the onset energies were measured at, respectively, 35.4±0.5 eV and 44.5±0.5 eV. It was shown that the NH{3/++} ions, initially produced in theirtilde X^1 A 1 state, rapidly dissociate (in less than 50 ns), into NH{2/+} + H+. Furthermore, the comparison with results obtained by other methods indicates that NH{3/++} ions can either be long-lived (τ>10 µs) or slowly dissociating (1 µs<τ<10 µs) or rapidly dissociating (τ<50 ns), depending on their geometry and/or internal energy in theirtilde X^1 E A 1 electronic state.

  19. Minced umbilical cord fragments as a source of cells for orthopaedic tissue engineering: an in vitro study.

    PubMed

    Marmotti, A; Mattia, S; Bruzzone, M; Buttiglieri, S; Risso, A; Bonasia, D E; Blonna, D; Castoldi, F; Rossi, R; Zanini, C; Ercole, E; Defabiani, E; Tarella, C; Peretti, G M

    2012-01-01

    A promising approach for musculoskeletal repair and regeneration is mesenchymal-stem-cell- (MSC-)based tissue engineering. The aim of the study was to apply a simple protocol based on mincing the umbilical cord (UC), without removing any blood vessels or using any enzymatic digestion, to rapidly obtain an adequate number of multipotent UC-MSCs. We obtained, at passage 1 (P1), a mean value of 4, 2 × 10(6) cells (SD 0,4) from each UC. At immunophenotypic characterization, cells were positive for CD73, CD90, CD105, CD44, CD29, and HLA-I and negative for CD34 and HLA-class II, with a subpopulation negative for both HLA-I and HLA-II. Newborn origin and multilineage potential toward bone, fat, cartilage, and muscle was demonstrated. Telomere length was similar to that of bone-marrow (BM) MSCs from young donors. The results suggest that simply collecting UC-MSCs at P1 from minced umbilical cord fragments allows to achieve a valuable population of cells suitable for orthopaedic tissue engineering. PMID:22550503

  20. Simplex and duplex polymerase chain reaction analysis of Herculex RW (59122) maize based on one reference molecule including separated fragments of 5' integration site and endogenous gene.

    PubMed

    Li, Xiang; Yang, Litao; Zhang, Jianzhong; Wang, Shu; Shen, Kailin; Pan, Liangwen; Zhang, Dabing

    2009-01-01

    Reference molecules, as positive controls and calibrators, have been recently developed in genetically modified organism analysis as a potential substitute for reference materials derived from plant raw materials. In this study, a novel reference molecule p59122, including the revealed 5' integration sequence of maize Herculex RW (59122), was constructed that was suitable for simplex and duplex event-specific qualitative and quantitative PCR detections. The LOD values were 10 copies both for simplex and duplex qualitative PCR when p59122 was used as the calibrator. These values were comparable to those of using genomic DNA samples with 0.01 and 0.05%, approximately 5 and 25 hyploid genomic DNA copies, respectively. The absolute LOD and LOQ values were confirmed to be as low as 10 and 25 copies of p59122 DNA both in simplex and duplex quantitative systems. Furthermore, ideal quantification data with low bias, SD and RSD values were obtained from the practical samples analyses in simplex and duplex real-time PCR systems using the reference molecule p59122 as a calibrator. All these results suggested that the developed reference molecule p59122 and the qualitative and quantitative PCR detection methods are suitable for identification and quantification of GM maize 59122 and its derived products. PMID:19916386