Science.gov

Sample records for cold cluster reactions

  1. Cold Fronts in Cold Dark Matter Clusters

    NASA Astrophysics Data System (ADS)

    Nagai, Daisuke; Kravtsov, Andrey V.

    2003-04-01

    Recently, high-resolution Chandra observations revealed the existence of very sharp features in the X-ray surface brightness and temperature maps of several clusters. These features, called cold fronts, are characterized by an increase in surface brightness by a factor >~2 over 10-50 kpc accompanied by a drop in temperature of a similar magnitude. The existence of such sharp gradients can be used to put interesting constraints on the physics of the intracluster medium (ICM) if their mechanism and longevity are well understood. Here, we present results of a search for cold fronts in high-resolution simulations of galaxy clusters in cold dark matter models. We show that sharp gradients with properties similar to those of observed cold fronts naturally arise in cluster mergers when the shocks heat gas surrounding the merging subcluster, while its dense core remains relatively cold. The compression induced by supersonic motions and shock heating during the merger enhance the amplitude of gas density and temperature gradients across the front. Our results indicate that cold fronts are nonequilibrium transient phenomena and can be observed for a period of less than a billion years. We show that the velocity and density fields of gas surrounding the cold front can be very irregular, which would complicate analyses aiming to put constraints on the physical conditions of the ICM in the vicinity of the front.

  2. Reactions of intermetallic clusters

    NASA Astrophysics Data System (ADS)

    Farley, R. W.; Castleman, A. W., Jr.

    1990-02-01

    Reaction of bismuth-alkali clusters with closed-shell HX acids provides insight into the structures, formation, and stabilities of these intermetallic species. HC1 and HI are observed to quantitatively strip BixNay and BixKy, respectively, of their alkali component, leaving bare bismuth clusters as the only bismuth-containing species detected. Product bismuth clusters exhibit the same distribution observed when pure bismuth is evaporated in the source. Though evaporated simultaneously from the same crucible, this suggests alkali atoms condense onto existing bismuth clusters and have negligible effect on their formation and consequent distribution. The indistinguishibility of reacted and pure bismuth cluster distributions further argues against the simple replacement of alkali atoms with hydrogen in these reactions. This is considered further evidence that the alkali atoms are external to the stable bismuth Zintl anionic structures. Reactivities of BixNay clusters with HC1 are estimated to lie between 3×10-13 for Bi4Na, to greater than 4×10-11 for clusters possessing large numbers of alkali atoms. Bare bismuth clusters are observed in separate experiments to react significantly more slowly with rates of 1-9×10-14 and exhibit little variation of reactivity with size. The bismuth clusters may thus be considered a relatively inert substrate upon which the alkali overlayer reacts.

  3. Cold molecules, collisions and reactions

    NASA Astrophysics Data System (ADS)

    Hecker Denschlag, Johannes

    2016-05-01

    I will report on recent experiments of my group where we have been studying the formation of ultracold diatomic molecules and their subsequent inelastic/reactive collisions. For example, in one of these experiments we investigate collisions of triplet Rb2 molecules in the rovibrational ground state. We observe fast molecular loss and compare the measured loss rates to predictions based on universality. In another set of experiments we investigate the formation of (BaRb)+ molecules after three-body recombination of a single Ba+ ion with two Rb atoms in an ultracold gas of Rb atoms. Our investigations indicate that the formed (BaRb)+ molecules are weakly bound and that several secondary processes take place ranging from photodissociation of the (BaRb)+ molecule to reactive collisions with Rb atoms. I will explain how we can experimentally distinguish these processes and what the typical reaction rates are. Support from the German Research foundation DFG and the European Community is acknowledged.

  4. Nuclear waste vitrification efficiency: cold cap reactions

    SciTech Connect

    Hrma, Pavel R.; Kruger, Albert A.; Pokorny, Richard

    2012-12-15

    The cost and schedule of nuclear waste treatment and immobilization are greatly affected by the rate of glass production. Various factors influence the performance of a waste-glass melter. One of the most significant, and also one of the least understood, is the process of batch melting. Studies are being conducted to gain fundamental understanding of the batch reactions, particularly those that influence the rate of melting, and models are being developed to link batch makeup and melter operation to the melting rate. Batch melting takes place within the cold cap, i.e., a batch layer floating on the surface of molten glass. The conversion of batch to glass consists of various chemical reactions, phase transitions, and diffusion-controlled processes. These include water evaporation (slurry feed contains as high as 60% water), gas evolution, the melting of salts, the formation of borate melt, reactions of borate melt with molten salts and with amorphous oxides (Fe2O3 and Al2O3), the formation of intermediate crystalline phases, the formation of a continuous glass-forming melt, the growth and collapse of primary foam, and the dissolution of residual solids. To this list we also need to add the formation of secondary foam that originates from molten glass but accumulates on the bottom of the cold cap. This study presents relevant data obtained for a high-level-waste melter feed and introduces a one-dimensional (1D) mathematical model of the cold cap as a step toward an advanced three-dimensional (3D) version for a complete model of the waste glass melter. The 1D model describes the batch-to-glass conversion within the cold cap as it progresses in a vertical direction. With constitutive equations and key parameters based on measured data, and simplified boundary conditions on the cold-cap interfaces with the glass melt and the plenum space of the melter, the model provides sensitivity analysis of the response of the cold cap to the batch makeup and melter conditions

  5. NUCLEAR WASTE VITRIFICATION EFFICIENCY COLD CAP REACTIONS

    SciTech Connect

    KRUGER AA; HRMA PR; POKORNY R

    2011-07-29

    The cost and schedule of nuclear waste treatment and immobilization are greatly affected by the rate of glass production. Various factors influence the performance of a waste-glass melter. One of the most significant, and also one of the least understood, is the process of batch melting. Studies are being conducted to gain fundamental understanding of the batch reactions, particularly those that influence the rate of melting, and models are being developed to link batch makeup and melter operation to the melting rate. Batch melting takes place within the cold cap, i.e., a batch layer floating on the surface of molten glass. The conversion of batch to glass consists of various chemical reactions, phase transitions, and diffusion-controlled processes. These include water evaporation (slurry feed contains as high as 60% water), gas evolution, the melting of salts, the formation of borate melt, reactions of borate melt with molten salts and with amorphous oxides (Fe{sub 2}O{sub 3} and Al{sub 2}O{sub 3}), the formation of intermediate crystalline phases, the formation of a continuous glass-forming melt, the growth and collapse of primary foam, and the dissolution of residual solids. To this list we also need to add the formation of secondary foam that originates from molten glass but accumulates on the bottom of the cold cap. This study presents relevant data obtained for a high-level-waste melter feed and introduces a one-dimensional (1D) mathematical model of the cold cap as a step toward an advanced three-dimensional (3D) version for a complete model of the waste glass melter. The 1D model describes the batch-to-glass conversion within the cold cap as it progresses in a vertical direction. With constitutive equations and key parameters based on measured data, and simplified boundary conditions on the cold-cap interfaces with the glass melt and the plenum space of the melter, the model provides sensitivity analysis of the response of the cold cap to the batch makeup

  6. Cold Fronts in Clusters of Galaxies: Observations and Modeling

    NASA Technical Reports Server (NTRS)

    Markevitch, Maxim

    2012-01-01

    Mergers of galaxy clusters -- some of the most energetic events in the Universe -- produce disturbances in hot intracluster medium, such as shocks and cold fronts, that can be used as tools to study the physics of galaxy clusters. Cold fronts may constrain viscosity and the structure and strength of the cluster magnetic fields. Combined with radio data, these observations also shed light on the production of ultrarelativistic particles that are known to coexist with the cluster thermal plasma. This talk will summarize the current X-ray observations of cluster mergers, as well as some recent radio data and high resolution hydrodynamic simulations.

  7. Transfer-type products accompanying cold fusion reactions

    SciTech Connect

    Adamian, G.G.; Antonenko, N.V.

    2005-12-15

    Production of nuclei heavier than the target is treated for projectile-target combinations used in cold fusion reactions leading to superheavy nuclei. These products are related to transfer-type or to asymmetry-exit-channel quasifission reactions. The production of isotopes in the transfer-type reactions emitting of {alpha} particles with large energies is discussed.

  8. Formation and photodetachment of cold metal cluster negative ions

    NASA Astrophysics Data System (ADS)

    Zheng, L.-S.; Brucat, P. J.; Pettiette, C. L.; Yang, S.; Smalley, R. E.

    1985-10-01

    A general method is described for the formation of cold metal cluser negative ion beams which serve as excellent sources for photodetachment experiments. The method involves the pulsed laser vaporization of a metal target at the throat of a pulsed supersonic helium expansion. By the optimization of source conditions, intense beams (greater than 105 ions/pulse) of both positive and negative ions are produced routinely. Ionization of the metal cluster molecules, either during vaporization or by irradiation with 193 nm light, occurs prior to supersonic expansion and produces a cold plasma entrained in the neural flow that is renitent to stray electric and magnetic fields, unlike photoions produced in the collisionless downstream molecular beam. The enhancement of the negative ion flux by 193 nm irradiation is believed to be evidence for efficient electron attachment of low energy photoelectrons generated in the nozzle region. This attachment process, however, is apparently not effective for molecules containing less than ˜4 metal atoms. Laser irradition of mass-selected cluster anions extracted from these cold ion beams reveal that photodetachment of the metal cluster negative ion is always the preferred pathway, even when fragmentation of the ion is possible. This new negative ion production technique should therefore permit measurement of both electron affinities and photoelectron spectra as a function of cluster size and composition.

  9. Cold fronts: probes of plasma astrophysics in galaxy clusters

    NASA Astrophysics Data System (ADS)

    Zuhone, John A.; Roediger, E.

    2016-06-01

    > The most massive baryonic component of galaxy clusters is the `intracluster medium' (ICM), a diffuse, hot, weakly magnetized plasma that is most easily observed in the X-ray band. Despite being observed for decades, the macroscopic transport properties of the ICM are still not well constrained. A path to determine macroscopic ICM properties opened up with the discovery of `cold fronts'. These were observed as sharp discontinuities in surface brightness and temperature in the ICM, with the property that the denser side of the discontinuity is the colder one. The high spatial resolution of the Chandra X-ray Observatory revealed two puzzles about cold fronts. First, they should be subject to Kelvin-Helmholtz instabilities, yet in many cases they appear relatively smooth and undisturbed. Second, the width of the interface between the two gas phases is typically narrower than the mean free path of the particles in the plasma, indicating negligible thermal conduction. It was thus realized that these special characteristics of cold fronts may be used to probe the properties of the cluster plasma. In this review, we will discuss the recent simulations of cold fronts in galaxy clusters, focusing on those which have attempted to use these features to constrain ICM physics. In particular, we will examine the effects of magnetic fields, viscosity, and thermal conductivity on the stability properties and long-term evolution of cold fronts. We conclude with a discussion on what important questions remain unanswered, and the future role of simulations and the next generation of X-ray observatories.

  10. SIGNATURES OF STAR CLUSTER FORMATION BY COLD COLLAPSE

    SciTech Connect

    Kuznetsova, Aleksandra; Hartmann, Lee; Ballesteros-Paredes, Javier

    2015-12-10

    Subvirial gravitational collapse is one mechanism by which star clusters may form. Here we investigate whether this mechanism can be inferred from observations of young clusters. To address this question, we have computed smoothed particle hydrodynamics simulations of the initial formation and evolution of a dynamically young star cluster through cold (subvirial) collapse, starting with an ellipsoidal, turbulently seeded distribution of gas, and forming sink particles representing (proto)stars. While the initial density distributions of the clouds do not have large initial mass concentrations, gravitational focusing due to the global morphology leads to cluster formation. We use the resulting structures to extract observable morphological and kinematic signatures for the case of subvirial collapse. We find that the signatures of the initial conditions can be erased rapidly as the gas and stars collapse, suggesting that kinematic observations need to be made early in cluster formation and/or at larger scales, away from the growing cluster core. Our results emphasize that a dynamically young system is inherently evolving on short timescales, so that it can be highly misleading to use current-epoch conditions to study aspects such as star formation rates as a function of local density. Our simulations serve as a starting point for further studies of collapse including other factors such as magnetic fields and stellar feedback.

  11. 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.

  12. Metal clusters in catalysis: Hydrocarbon reactions*

    PubMed Central

    Caulton, K. G.; Thomas, M. G.; Sosinsky, B. A.; Muetterties, E. L.

    1976-01-01

    A set of metal carbonyl clusters, Ru3(CO)12, Os3(CO)12, and Ir4(CO)12, has been evaluated as catalysts for a series of hydrocarbon reactions which comprise skeletal rearrangement, metathesis, dehydrogenation, hydrogenation, isomerization, and H-D exchange. None was especially effective as a hydrogenation catalyst even for olefins. Os3(CO)12 was a catalyst for H-D exchange between C6H6 and D2 at 195° but the ruthenium congener was inactive at temperatures below 175°, a temperature where ruthenium metal formed at an appreciable rate. Deuterium incorporation in the benzene was a single-step process. Ir4(CO)12 was an effective catalyst for the conversion of cyclohexadiene to cyclohexene and benzene. A similar reaction occurred with cyclohexene but the rate was extremely low at 160°. The ruthenium and osmium clusters catalyzed the isomerization of linear hexenes, with the former the more active. Relative rates for the hexenes were 1 > 2 > 3. At high temperatures, the osmium and iridium clusters catalyzed skeletal reactions of 2-hexene, as evidenced by the formation of pentenes, heptenes, heptanes, and small amounts of propane. PMID:16592366

  13. Nanochemistry: Iron cluster reactions with methyl iodide

    SciTech Connect

    McCarter, B.E.; Bililign, S.; Feigerle, C.S.; Miller, J.C.

    1999-08-26

    Previous experiments have shown that the ionization/dissociation of iron pentacarbonyl clusters can lead to the formation of iron ions and iron cluster ions that that these species can further react with dopant molecules to yield chemically rearranged products. The present experiments characterize similar reactions with methyl iodide molecules and clusters. Heteroclusters of the form [Fe(CO){sub 5}]{sub m}(CH{sub 3}I){sub n}Ar{sub p} are created in an expanding supersonic jet of the component molecules. Following ionization by a 30 ps, 266 nm laser pulse, extensive dissociation, aggregation, and chemical rearrangement occur leading to ionic products, which are characterized by mass spectrometry. Cluster ions of the type Fe{sub m}I{sub n}{sup +}, Fe(CH{sub 3}I){sub n}{sup +} are observed as products. The stability of the binary parent ion Fe(CH{sub 3}I){sup +} is demonstrated for the first time.

  14. Formation of superheavy nuclei in cold fusion reactions

    SciTech Connect

    Feng Zhaoqing; Jin Genming; Li Junqing; Scheid, Werner

    2007-10-15

    Within the concept of the dinuclear system (DNS), a dynamical model is proposed for describing the formation of superheavy nuclei in complete fusion reactions by incorporating the coupling of the relative motion to the nucleon transfer process. The capture of two heavy colliding nuclei, the formation of the compound nucleus, and the de-excitation process are calculated by using an empirical coupled channel model, solving a master equation numerically and applying statistical theory, respectively. Evaporation residue excitation functions in cold fusion reactions are investigated systematically and compared with available experimental data. Maximal production cross sections of superheavy nuclei in cold fusion reactions with stable neutron-rich projectiles are obtained. Isotopic trends in the production of the superheavy elements Z=110, 112, 114, 116, 118, and 120 are analyzed systematically. Optimal combinations and the corresponding excitation energies are proposed.

  15. Synthesis of the heaviest nuclei in cold fusion reactions

    NASA Astrophysics Data System (ADS)

    Münzenberg, G.; Morita, K.

    2015-12-01

    Cold fusion of heavy ions paved the way to superheavy elements. It was proposed by Yu.Ts. Oganessian more than forty years ago in 1974 [1,2]. First experiments were carried out at JINR Dubna, starting with the reaction 40Ar + 208Pb → 248Fm* where several hundreds to thousand atoms were produced on one day. The large production rate indicating an enhancement of the fusion cross section, especially for the evaporation of two or three neutrons, proved the concept of cold-fusion with the use of the doubly magic nucleus 208Pb as a target. The Dubna experiments were extended to the transactinide region beyond rutherfordium. The breakthrough came with the separation in-flight. Two different approaches were used: kinematic separation with the velocity filter SHIP [3] at GSI Darmstadt, and with the gasfilled separator GARIS [4,5] at RIKEN. With SHIP the concept of cold fusion of massive nuclear systems was convincingly confirmed by the observation of the one-neutron evaporation channel in the production of 247Rf in an irradiation of 208Pb with 50Ti [6] in 1981 which opened the way to the transactinide region. At SHIP the elements bohrium (107) to copernicium (112) were discovered [7]. A new closed shell region around hassium was found. The RIKEN experiments started in 2002. They confirmed the GSI results and in addition improved the data on structure and production of elements hassium to copernicium significantly. The heaviest element ever created in a cold fusion reaction, Z = 113, was observed at GARIS [8,9].

  16. A HIGH FIDELITY SAMPLE OF COLD FRONT CLUSTERS FROM THE CHANDRA ARCHIVE

    SciTech Connect

    Owers, Matt S.; Nulsen, Paul E. J.; Markevitch, Maxim; Couch, Warrick J.

    2009-10-20

    This paper presents a sample of 'cold front' clusters selected from the Chandra archive. The clusters are selected based purely on the existence of surface brightness edges in their Chandra images which are modeled as density jumps. A combination of the derived density and temperature jumps across the fronts is used to select nine robust examples of cold front clusters: 1ES0657 - 558, Abell 1201, Abell 1758N, MS1455.0+2232, Abell 2069, Abell 2142, Abell 2163, RXJ1720.1+2638, and Abell 3667. This sample is the subject of an ongoing study aimed at relating cold fronts to cluster merger activity, and understanding how the merging environment affects the cluster constituents. Here, temperature maps are presented along with the Chandra X-ray images. A dichotomy is found in the sample in that there exists a subsample of cold front clusters which are clearly mergers based on their X-ray morphologies, and a second subsample of clusters which harbor cold fronts, but have surprisingly relaxed X-ray morphologies, and minimal evidence for merger activity at other wavelengths. For this second subsample, the existence of a cold front provides the sole evidence for merger activity at X-ray wavelengths. We discuss how cold fronts can provide additional information which may be used to constrain merger histories, and also the possibility of using cold fronts to distinguish major and minor mergers.

  17. Electron transfer, proton transfer and photoaddition reactions in isolated clusters

    NASA Astrophysics Data System (ADS)

    Bernstein, Elliot R.

    1993-02-01

    This report contains the abstracts of the published and to be published papers from this work. They include studies of the structure of nonrigid molecules, the formation of clusters and dimers, liquid cluster structure, chemical reaction studies, and studies of cluster dynamics.

  18. THE PROPERTIES OF X-RAY COLD FRONTS IN A STATISTICAL SAMPLE OF SIMULATED GALAXY CLUSTERS

    SciTech Connect

    Hallman, Eric J.; Skillman, Samuel W.; Smith, Britton D.; Burns, Jack O.; Jeltema, Tesla E.; Norman, Michael L.

    2010-12-10

    We examine the incidence of cold fronts in a large sample of galaxy clusters extracted from a (512 h {sup -1} Mpc) hydrodynamic/N-body cosmological simulation with adiabatic gas physics computed with the Enzo adaptive mesh refinement code. This simulation contains a sample of roughly 4000 galaxy clusters with M {>=}10{sup 14} M{sub sun} at z = 0. For each simulated galaxy cluster, we have created mock 0.3-8.0 keV X-ray observations and spectroscopic-like temperature maps. We have searched these maps with a new automated algorithm to identify the presence of cold fronts in projection. Using a threshold of a minimum of 10 cold front pixels in our images, corresponding to a total comoving length L{sub cf}>156 h {sup -1} kpc, we find that roughly 10%-12% of all projections in a mass-limited sample would be classified as cold front clusters. Interestingly, the fraction of clusters with extended cold front features in our synthetic maps of a mass-limited sample trends only weakly with redshift out to z = 1.0. However, when using different selection functions, including a simulated flux limit, the trending with redshift changes significantly. The likelihood of finding cold fronts in the simulated clusters in our sample is a strong function of cluster mass. In clusters with M>7.5 x 10{sup 14} M{sub sun} the cold front fraction is 40%-50%. We also show that the presence of cold fronts is strongly correlated with disturbed morphology as measured by quantitative structure measures. Finally, we find that the incidence of cold fronts in the simulated cluster images is strongly dependent on baryonic physics.

  19. The Properties of X-ray Cold Fronts in Simulated Galaxy Clusters

    NASA Astrophysics Data System (ADS)

    Hallman, Eric J.; Skillman, S.; O'Shea, B.; Smith, B.; Burns, J.; Norman, M.

    2010-01-01

    In the Chandra era, a number of galaxy clusters have been identified as hosting so-called "cold fronts", sharp edges in the X-ray surface brightness and spectral temperature. In contrast to observed shocks in the ICM of galaxy clusters, these features are seen to be pressure continuous, with the inferred density and temperature jumps in opposite directions. A number of physical scenarios have been postulated to explain these features, including subcluster mergers that strip gas out of dark matter potential wells and expand adiabatically, to "sloshing" of the central cold gas in cool core galaxy clusters in response to smaller perturbations. We examine the statistical properties of cold fronts in synthetic X-ray images generated from a large (512h-1 Mpc)3 volume simulated with the Enzo adaptive mesh refinement hydro/N-body cosmological code. We explore the correlation of the appearance of cold fronts and the merger state and history of simulated clusters with a variety of baryonic physics included. We determine the origin of the merger type cold fronts in clusters. In addition we describe the statistical properties of the cold fronts throughout the simulated cluster sample.

  20. Solvation and chemical reaction of sodium in water clusters

    NASA Astrophysics Data System (ADS)

    Bobbert, C.; Schulz, C. P.

    Nam(H2O)n Clusters ( n = 1...200, m = 1...50) are formed in a recently build pick-up arrangement. Preformed water clusters traverse a sodium oven, where sodium atoms are picked up. At low sodium vapour pressure ( < 1×10-4 mbar) pure Na(H2O)n clusters are observed in the mass spectra. At high sodium vapour pressure ( > 1×10-3 mbar) the water cluster pick up more than 50 Na atoms and reaction products Na(NaOH)n ( n = 2, 4...50) dominate the mass spectra. The even number of NaOH units in the products indicate that also in a finite cluster the reaction occurs in pairs as in the macroscopic reaction.

  1. Probing cluster structures through sub-barrier transfer reactions

    NASA Astrophysics Data System (ADS)

    Rafferty, D. C.; Dasgupta, M.; Hinde, D. J.; Simenel, C.; Simpson, E. C.; Williams, E.; Carter, I. P.; Cook, K. J.; Luong, D. H.; McNeil, S. D.; Ramachandran, K.; Vo-Phuoc, K.; Wakhle, A.

    2016-09-01

    Multinucleon transfer probabilities and excitation energy distributions have been measured in 16,18O, 19F + 208Pb at energies between 90% - 100% of the Coulomb barrier. A strong 2p2n enhancement is observed for all reactions, though most spectacularly in the 18O induced reaction. Results are interpreted in terms of the Semiclassical model, which seems to suggest α-cluster transfer in all studied systems. The relation to cluster-states in the projectile is discussed, with the experimental results consistent with previous structure studies. Dissipation of energy in the collisions of 18O is compared between different reaction modes, with cluster transfer associated with dissipation over a large number of internal states. Cluster transfer is shown to be a long range dissipation mechanism, which will inform the development of future models to treat these dynamic processes in reactions.

  2. Kinetic studies of reactions of cobalt clusters with deuterium

    SciTech Connect

    Ho, J.; Zhu, L.; Parks, E.K.; Riley, S.J.

    1992-10-01

    The kinetics of chemical reactions of cobalt clusters Co{sub n} with deuterium are described. Absolute rate constants have been measured in the cluster range n = 7--68 at 293 K. The rate constants are found to be a strong function of cluster size, varying by up to three orders of magnitude. This size , dependence is most prominent in the n = 7--25 size range: CO{sub 15} is the most reactive cluster, and CO{sub 7-9} and CO{sub 19--20} are particularly unreactive. Abrupt changes in the rate constants from one cluster size to the next are observed. For the clusters above n = 25, the rate constants show several less prominent maxima and minima superimposed on a slow, nearly monotonic increase with cluster size.

  3. Enantiomer-selective photolysis of cold gas-phase tryptophan in L-serine clusters with linearly polarized light.

    PubMed

    Fujihara, Akimasa; Maeda, Naoto; Hayakawa, Shigeo

    2014-04-01

    Photostability of cold gas-phase tryptophan (Trp) enantiomers in L-serine (L-Ser) clusters at 8 K as a model for interstellar molecular clouds was examined using a tandem mass spectrometer containing a cold ion trap to investigate the hypothesis that homochirality in gas-phase Ser clusters promotes the enantiomeric enrichment of other amino acids via enantiomer-selective photolysis with linearly polarized light. In the UV excitation of heterochiral H(+) (L-Ser) 3(D-Trp), the CO2-eliminated product in the cluster was observed. In contrast, the photodissociation mass spectrum of homochiral H(+)(L-Ser)3(L-Trp) showed that photolysis of amino acids in the cluster did not occur due to the evaporation of L-Ser molecules. In the spectra of the homochiral H(+)(L-Ser) (L-Trp) and heterochiral H(+)(L-Ser) (D-Trp), the evaporation of L-Ser was the primary reaction pathway, and no difference between the L- and D-enantiomers was observed. The findings confirm that when 3 L-Ser units are present in the cluster, the photolytic decomposition of Trp is enantiomerically selective.

  4. Cold-cap reactions in vitrification of nuclear waste glass: experiments and modeling

    SciTech Connect

    Chun, Jaehun; Pierce, David A.; Pokorny, Richard; Hrma, Pavel R.

    2013-05-01

    Cold-cap reactions are multiple overlapping reactions that occur in the waste-glass melter during the vitrification process when the melter feed is being converted to molten glass. In this study, we used differential scanning calorimetry (DSC) to investigate cold-cap reactions in a high-alumina high-level waste melter feed. To separate the reaction heat from both sensible heat and experimental instability, we employed the run/rerun method, which enabled us to define the degree of conversion based on the reaction heat and to estimate the heat capacity of the reacting feed. Assuming that the reactions are nearly independent and can be approximated by the nth order kinetics, we obtained the kinetic parameters using the Kissinger method combined with least squares analysis. The resulting mathematical simulation of the cold-cap reactions provides a key element for the development of an advanced cold-cap model.

  5. van der Waals explosion of cold Rydberg clusters

    NASA Astrophysics Data System (ADS)

    Faoro, R.; Simonelli, C.; Archimi, M.; Masella, G.; Valado, M. M.; Arimondo, E.; Mannella, R.; Ciampini, D.; Morsch, O.

    2016-03-01

    We report on the direct measurement in real space of the effect of the van der Waals forces between individual Rydberg atoms on their external degrees of freedom. Clusters of Rydberg atoms with interparticle distances of around 5 μ m are created by first generating a small number of seed excitations in a magneto-optical trap, followed by off-resonant excitation that leads to a chain of facilitated excitation events. After a variable expansion time the Rydberg atoms are field ionized, and from the arrival time distributions the size of the Rydberg cluster after expansion is calculated. Our experimental results agree well with a numerical simulation of the van der Waals explosion.

  6. Redshift space clustering of galaxies and cold dark matter model

    NASA Technical Reports Server (NTRS)

    Bahcall, Neta A.; Cen, Renyue; Gramann, Mirt

    1993-01-01

    The distorting effect of peculiar velocities on the power speturm and correlation function of IRAS and optical galaxies is studied. The observed redshift space power spectra and correlation functions of IRAS and optical the galaxies over the entire range of scales are directly compared with the corresponding redshift space distributions using large-scale computer simulations of cold dark matter (CDM) models in order to study the distortion effect of peculiar velocities on the power spectrum and correlation function of the galaxies. It is found that the observed power spectrum of IRAS and optical galaxies is consistent with the spectrum of an Omega = 1 CDM model. The problems that such a model currently faces may be related more to the high value of Omega in the model than to the shape of the spectrum. A low-density CDM model is also investigated and found to be consistent with the data.

  7. Clustering vertical ground reaction force curves produced during countermovement jumps.

    PubMed

    Richter, Chris; O'Connor, Noel E; Marshall, Brendan; Moran, Kieran

    2014-07-18

    The aim of this study is to assess and compare the performance of commonly used hierarchical, partitional (k-means) and Gaussian model-based (Expectation-Maximization algorithm) clustering techniques to appropriately identify subgroup patterns within vertical ground reaction force data, using a continuous waveform analysis. In addition, we also compared the performance across each technique using normalized and non-normalization input scores. Both generated and real data (one hundred and twenty two vertical jumps) were analyzed. The performance of each cluster technique was measured by assessing the ability to explain variances in jump height using a stepwise regression analysis. Only k-means (normalized scores; 82%) and hierarchical clustering (normalized scores; 85%) were able to extend the ability to describe variances in jump height beyond that achieved using the group analysis (i.e. one cluster; 78%). Further, our findings strongly indicate the need to normalize the input data (similarity measure) when clustering. In contrast to the group analysis, the subgroup analysis was able to identify cluster specific phases of variance, which improved the ability to explain variances in jump height, due to the identification of cluster specific predictor variables. Our findings therefore highlight the benefit of performing a subgroup analysis and may explain, at least in part, the contrasting findings between previous studies that used a single group level of analysis.

  8. STREAMING COLD COSMIC-RAY BACK-REACTION AND THERMAL INSTABILITIES ALONG THE BACKGROUND MAGNETIC FIELD

    SciTech Connect

    Nekrasov, Anatoly K.; Shadmehri, Mohsen E-mail: nekrasov.anatoly@gmail.com

    2012-09-01

    Using a multi-fluid approach, we investigate the streaming and thermal instabilities of electron-ion-cosmic-ray astrophysical objects in which homogeneous cold cosmic rays have a drift velocity perpendicular to the background magnetic field. One-dimensional perturbations along the magnetic field are considered. The induced return current of the background plasma and back-reaction of cosmic rays are taken into account. It is shown that the cosmic-ray back-reaction results in a streaming instability with considerably higher growth rates than that due to the return current of the background plasma. This increase is by a factor of the square root of the ratio of the background plasma mass density to the cosmic-ray mass density. The maximal growth rate and the corresponding wavenumber are then found. Thermal instability is shown to be not subject to the action of cosmic rays in the model under consideration. The dispersion relation for thermal instability includes ion inertia. In the limit of a fast thermal energy exchange between electrons and ions, the isobaric and isochoric growth rates are obtained. The results can be useful for the investigation of electron-ion astrophysical objects such as galaxy clusters, including the dynamics of streaming cosmic rays.

  9. Structural cluster analysis of chemical reactions in solution

    NASA Astrophysics Data System (ADS)

    Gallet, Grégoire A.; Pietrucci, Fabio

    2013-08-01

    We introduce a simple and general approach to the problem of clustering structures from atomic trajectories of chemical reactions in solution. By considering distance metrics which are invariant under permutation of identical atoms or molecules, we demonstrate that it is possible to automatically resolve as distinct structural clusters the configurations corresponding to reactants, products, and transition states, even in presence of atom-exchanges and of hundreds of solvent molecules. Our approach strongly simplifies the analysis of large trajectories and it opens the way to the construction of kinetic network models of activated processes in solution employing the available efficient schemes developed for proteins conformational ensembles.

  10. Ion/molecule reactions of arsenic and phosphorus cluster ions: Ionization potentials and novel reaction pathways

    SciTech Connect

    Zimmerman, J.A.; Bach, S.B.H.; Watson, C.H.; Eyler, J.R. )

    1991-01-10

    Ionization potentials (IP's) for arsenic and phosphorus clusters (As{sub n}, n = 1-5; P{sub n}, n = 1-4) have been determined by gas-phase charge-transfer reactions. Arsenic and phosphorus cluster ions were generated by pulsed CO{sub 2} laser desorption from GaAs and InP substrates, mass-selected, thermalized, and allowed to react with compounds of known ionization potential in a Fourier transform ion cyclotron resonance mass spectrometer. The IP's for As{sub 3} and As{sub 5} previously unreported, as well as more accurate IP values for several of the other clusters, have been determined. Products and rate coefficients of some interesting reactions of the cluster ions with the charge-transfer agents are also reported.

  11. Modeling active galactic nucleus feedback in cool-core clusters: The formation of cold clumps

    SciTech Connect

    Li, Yuan; Bryan, Greg L.

    2014-07-10

    We perform high-resolution (15-30 pc) adaptive mesh simulations to study the impact of momentum-driven active galactic nucleus (AGN) feedback in cool-core clusters, focusing in this paper on the formation of cold clumps. The feedback is jet-driven with an energy determined by the amount of cold gas within 500 pc of the super-massive black hole. When the intracluster medium in the core of the cluster becomes marginally stable to radiative cooling, with the thermal instability to the free-fall timescale ratio t{sub TI}/t{sub ff} < 3-10, cold clumps of gas start to form along the propagation direction of the AGN jets. By tracing the particles in the simulations, we find that these cold clumps originate from low entropy (but still hot) gas that is accelerated by the jet to outward radial velocities of a few hundred km s{sup –1}. This gas is out of hydrostatic equilibrium and so can cool. The clumps then grow larger as they decelerate and fall toward the center of the cluster, eventually being accreted onto the super-massive black hole. The general morphology, spatial distribution, and estimated Hα morphology of the clumps are in reasonable agreement with observations, although we do not fully replicate the filamentary morphology of the clumps seen in the observations, probably due to missing physics.

  12. Modeling Active Galactic Nucleus Feedback in Cool-core Clusters: The Formation of Cold Clumps

    NASA Astrophysics Data System (ADS)

    Li, Yuan; Bryan, Greg L.

    2014-07-01

    We perform high-resolution (15-30 pc) adaptive mesh simulations to study the impact of momentum-driven active galactic nucleus (AGN) feedback in cool-core clusters, focusing in this paper on the formation of cold clumps. The feedback is jet-driven with an energy determined by the amount of cold gas within 500 pc of the super-massive black hole. When the intracluster medium in the core of the cluster becomes marginally stable to radiative cooling, with the thermal instability to the free-fall timescale ratio t TI/t ff < 3-10, cold clumps of gas start to form along the propagation direction of the AGN jets. By tracing the particles in the simulations, we find that these cold clumps originate from low entropy (but still hot) gas that is accelerated by the jet to outward radial velocities of a few hundred km s-1. This gas is out of hydrostatic equilibrium and so can cool. The clumps then grow larger as they decelerate and fall toward the center of the cluster, eventually being accreted onto the super-massive black hole. The general morphology, spatial distribution, and estimated Hα morphology of the clumps are in reasonable agreement with observations, although we do not fully replicate the filamentary morphology of the clumps seen in the observations, probably due to missing physics.

  13. Knockout driven reactions in complex molecules and their clusters

    NASA Astrophysics Data System (ADS)

    Gatchell, Michael; Zettergren, Henning

    2016-08-01

    Energetic ions lose some of their kinetic energy when interacting with electrons or nuclei in matter. Here, we discuss combined experimental and theoretical studies on such impulse driven reactions in polycyclic aromatic hydrocarbons (PAHs), fullerenes, and pure or mixed clusters of these molecules. These studies show that the nature of excitation is important for how complex molecular systems respond to ion/atom impact. Rutherford-like nuclear scattering processes may lead to prompt atom knockout and formation of highly reactive fragments, while heating of the molecular electron clouds in general lead to formation of more stable and less reactive fragments. In this topical review, we focus on recent studies of knockout driven reactions, and present new calculations of the angular dependent threshold (displacement) energies for such processes in PAHs. The so-formed fragments may efficiently form covalent bonds with neighboring molecules in clusters. These unique molecular growth processes may be important in astrophysical environments such as low velocity shock waves.

  14. Considerations on immunization anxiety-related reactions in clusters.

    PubMed

    Palacios, Ricardo

    2014-01-01

    A cluster of adverse events following immunization (AEFI) represents a stress test for an immunization program. The community can suspect on vaccine-related reaction leading to mistrust on the immunization program. An immunization anxiety-related reaction is one of the hypotheses to be tested and can be reasonably accepted when the vaccine-related and immunization error-related reactions are ruled out and no coincidental events can explain the cases. Immunization program approaches widely accepted to understand and respond to adverse events are root-cause analysis and systems analysis. Psychiatric cognitive frame will support the root-cause analysis assigning a causal relationship to individual temporary disorders of the affected vaccinees. Communication will focus on vaccine safety and absence of errors in the immunization program. Systems analysis addresses the whole context considering the fear spread as a systemic threat. Socio-psychological frame offers a broader opportunity to understand and respond to a specific community. Management is based on communication to change community belief in misperceptions of vaccine risks and support the idea of immunization as a causal factor, different from the vaccine. Communities can consider use of psychiatric labels, Mass Psychogenic Illness or Mass Hysteria, as an act of inconsiderateness. Labels like immunization anxiety-related reactions in clusters or collective immunization anxiety-related reactions are recommended to bridge the causal perception of the community with the result of the scientific investigation of the cases.

  15. COLD FRONTS AND GAS SLOSHING IN GALAXY CLUSTERS WITH ANISOTROPIC THERMAL CONDUCTION

    SciTech Connect

    ZuHone, J. A.; Markevitch, M.; Lee, D.

    2013-01-10

    Cold fronts in cluster cool cores should be erased on short timescales by thermal conduction, unless protected by magnetic fields that are 'draped' parallel to the front surfaces, suppressing conduction perpendicular to the sloshing fronts. We present a series of MHD simulations of cold front formation in the core of a galaxy cluster with anisotropic thermal conduction, exploring a parameter space of conduction strengths parallel and perpendicular to the field lines. Including conduction has a strong effect on the temperature distribution of the core and the appearance of the cold fronts. Though magnetic field lines are draping parallel to the front surfaces, preventing conduction directly across them, the temperature jumps across the fronts are nevertheless reduced. The geometry of the field is such that the cold gas below the front surfaces can be connected to hotter regions outside via field lines along directions perpendicular to the plane of the sloshing motions and along sections of the front that are not perfectly draped. This results in the heating of this gas below the front on a timescale of a Gyr, but the sharpness of the density and temperature jumps may nevertheless be preserved. By modifying the gas density distribution below the front, conduction may indirectly aid in suppressing Kelvin-Helmholtz instabilities. If conduction along the field lines is unsuppressed, we find that the characteristic sharp jumps seen in Chandra observations of cold front clusters do not form. Therefore, the presence of cold fronts in hot clusters is in contradiction with our simulations with full Spitzer conduction. This suggests that the presence of cold fronts in hot clusters could be used to place upper limits on conduction in the bulk of the intracluster medium. Finally, the combination of sloshing and anisotropic thermal conduction can result in a larger flux of heat to the core than either process in isolation. While still not sufficient to prevent a cooling

  16. 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

  17. Intracluster ion-molecule reactions of Ti+ with ether clusters

    NASA Astrophysics Data System (ADS)

    Koo, Young-Mi; Kim, Min-Kyung; Jung, Kwang-Woo

    2005-05-01

    The intracluster ion-molecule reactions of Ti+(CH3OR)n (R = CH3, n-C3H7, n-C4H9, t-C4H9) complexes produced by the mixing of laser-vaporized plasmas and pulsed supersonic beams were investigated using a reflectron time-of-flight mass spectrometer (RTOFMS). The reactions of Ti+ with dimethyl ether clusters were found to be dominated by the CH3 elimination reaction, which produces Ti+(OCH3)m(CH3OCH3)n clusters (m = 1-3). The mass spectra resulting from the reactions of Ti+ with the other ether clusters indicate the formation of major sequences of heterocluster ions with the formula Ti+(OCH3)x(OR)y(CH3OR)n, where x = 1-3 and y = 0-2. These sequences are attributed to the insertion of Ti+ ions into the CO bonds of the ether molecules within the heteroclusters, followed by alkyl radical elimination. The prevalence of radical elimination of longer alkyl groups rather than of CH3 radicals suggests that R elimination from the [CH3OTi+R] intermediate is the preferred decomposition pathway after the selective insertion of a Ti+ ion into the CO bond of an OR group. Our results also indicate that consecutive insertions of a Ti+ ion can occur for up to three precursor molecules. The experiments also show that the molecular eliminations of H2 and alkanes, resulting from CH and CC bond insertion, respectively, play an increasingly important role as the size of the alkyl group (R) in the ether molecule increases. The reaction energetics and the formation mechanisms of the observed heterocluster ions are also discussed.

  18. Galaxy clusters and cold dark matter - A low-density unbiased universe?

    NASA Technical Reports Server (NTRS)

    Bahcall, Neta A.; Cen, Renyue

    1992-01-01

    Large-scale simulations of a universe dominated by cold dark matter (CDM) are tested against two fundamental properties of clusters of galaxies: the cluster mass function and the cluster correlation function. We find that standard biased CDM models are inconsistent with these observations for any bias parameter b. A low-density, low-bias CDM-type model, with or without a cosmological constant, appears to be consistent with both the cluster mass function and the cluster correlations. The low-density model agrees well with the observed correlation function of the Abell, Automatic Plate Measuring Facility (APM), and Edinburgh-Durham cluster catalogs. The model is in excellent agreement with the observed dependence of the correlation strength on cluster mean separation, reproducing the measured universal dimensionless cluster correlation. The low-density model is also consistent with other large-scale structure observations, including the APM angular galaxy-correlations, and for lambda = 1-Omega with the COBE results of the microwave background radiation fluctuations.

  19. The peculiar velocities of rich clusters in the hot and cold dark matter scenarios

    NASA Technical Reports Server (NTRS)

    Rhee, George F.; West, Michael J.; Villumsen, Jens V.

    1993-01-01

    We present the results of a study of the peculiar velocities of rich clusters of galaxies. The peculiar motion of rich clusters in various cosmological scenarios is of interest for a number of reasons. Observationally, one can measure the peculiar motion of clusters to greater distances than galaxies because cluster peculiar motions can be determined to greater accuracy. One can also test the slope of distance indicator relations using clusters to see if galaxy properties vary with environment. We have used N-body simulations to measure the amplitude and rms cluster peculiar velocity as a function of bias parameter in the hot and cold dark matter scenarios. In addition to measuring the mean and rms peculiar velocity of clusters in the two models, we determined whether the peculiar velocity vector of a given cluster is well aligned with the gravity vector due to all the particles in the simulation and the gravity vector due to the particles present only in the clusters. We have investigated the peculiar velocities of rich clusters of galaxies in the cold dark matter and hot dark matter galaxy formation scenarios. We have derived peculiar velocities and associated errors for the scenarios using four values of the bias parameter ranging from b = 1 to b = 2.5. The growth of the mean peculiar velocity with scale factor has been determined and compared to that predicted by linear theory. In addition, we have compared the orientation of force and velocity in these simulations to see if a program such as that proposed by Bertschinger and Dekel (1989) for elliptical galaxy peculiar motions can be applied to clusters. The method they describe enables one to recover the density field from large scale redshift distance samples. The method makes it possible to do this when only radial velocities are known by assuming that the velocity field is curl free. Our analysis suggests that this program if applied to clusters is only realizable for models with a low value of the bias

  20. Synthesis of transactinide nuclei in cold fusion reactions using radioactive beams

    SciTech Connect

    Smolanczuk, Robert

    2010-06-15

    Chances of synthesis of transactinide nuclei in cold fusion reactions (one-neutron-out reactions) using radioactive beams are evaluated. Because in most of the cases intensities of radioactive beams are significantly less than those of the stable beams, reactions with the greatest radioactive-beam intensities for the particular elements are considered. The results are compared with the recent ones obtained by Loveland [Phys. Rev. C 76, 014612 (2007)], who investigated the same nuclei.

  1. Deuterium cluster model for low energy nuclear reactions (LENR)

    NASA Astrophysics Data System (ADS)

    Miley, George; Hora, Heinrich

    2007-11-01

    For studying the possible reactions of high density deuterons on the background of a degenerate electron gas, a summary of experimental observations resulted in the possibility of reactions in pm distance and more than ksec duration similar to the K-shell electron capture [1]. The essential reason was the screening of the deuterons by a factor of 14 based on the observations. Using the bosonic properties for a cluster formation of the deuterons and a model of compound nuclear reactions [2], the measured distribution of the resulting nuclei may be explained as known from the Maruhn-Greiner theory for fission. The local maximum of the distribution at the main minimum indicates the excited states of the compound nuclei during their intermediary state. This measured local maximum may be an independent proof for the deuteron clusters at LENR. [1] H. Hora, G.H. Miley et al. Physics Letters A175, 138 (1993) [2] H. Hora and G.H. Miley, APS March Meeting 2007, Program p. 116

  2. A slow reaction rate in detonations due to carbon clustering

    SciTech Connect

    Shaw, M.S.; Johnson, J.D.

    1987-07-01

    Theoretical calculations have been made to estimate the rate of heat release due to the carbon clustering process in detonations where elemental carbon is a reaction product. The process is assumed to be diffusion limited. Diffusion constants are determined using modified Enskog theory and the Stokes-Einstein relation. The carbon cluster energy is treated by a surface correction to the bulk. The amount of energy yet to be released has an asymptotic time dependence of t/sup -1/3/. For some explosives, this leads to time dependent detonations where the effective CJ pressure is 10-20% above CJ for run distances of the order of centimeters. 9 refs., 3 figs.

  3. Retention of the Cluster Core Structure during Ligand Exchange Reactions of Carboxylato-Substituted Metal Oxo Clusters

    PubMed Central

    Kreutzer, Johannes; Puchberger, Michael; Artner, Christine; Schubert, Ulrich

    2015-01-01

    The exchange of the carboxylato ligands of Zr4O2(methacrylato)12 in reactions with carboxylic acids proceeds with retention of the composition and structure of the cluster core. This was concluded from exchange/re-exchange experiments and from comparison of the IR bands of the cluster core of the original and ligand-exchanged clusters. The IR bands were assigned on the basis of DFT calculations. Scrambling reactions between two Zr4O2(OOCR)12 clusters with different carboxylato ligands are a new way to prepare mixed-ligand oxo clusters. PMID:26113799

  4. THE EFFECT OF ANISOTROPIC VISCOSITY ON COLD FRONTS IN GALAXY CLUSTERS

    SciTech Connect

    ZuHone, J. A.; Markevitch, M.; Biffi, V.

    2015-01-10

    Cold fronts—contact discontinuities in the intracluster medium (ICM) of galaxy clusters—should be disrupted by Kelvin-Helmholtz (K-H) instabilities due to the associated shear velocity. However, many observed cold fronts appear stable. This opens the possibility of placing constraints on microphysical mechanisms that stabilize them, such as the ICM viscosity and/or magnetic fields. We performed exploratory high-resolution simulations of cold fronts arising from subsonic gas sloshing in cluster cores using the grid-based Athena MHD code, comparing the effects of isotropic Spitzer and anisotropic Braginskii viscosity (expected in a magnetized plasma). Magnetized simulations with full Braginskii viscosity or isotropic Spitzer viscosity reduced by a factor f ∼ 0.1 are both in qualitative agreement with observations in terms of suppressing K-H instabilities. The rms velocity of turbulence within the sloshing region is only modestly reduced by Braginskii viscosity. We also performed unmagnetized simulations with and without viscosity and find that magnetic fields have a substantial effect on the appearance of the cold fronts, even if the initial field is weak and the viscosity is the same. This suggests that determining the dominant suppression mechanism of a given cold front from X-ray observations (e.g., viscosity or magnetic fields) by comparison with simulations is not straightforward. Finally, we performed simulations including anisotropic thermal conduction, and find that including Braginskii viscosity in these simulations does not significantly affect the evolution of cold fronts; they are rapidly smeared out by thermal conduction, as in the inviscid case.

  5. Progress towards antihydrogen production by the reaction of cold antiprotons with positronium atoms

    SciTech Connect

    Charlton, M.; Laricchia, G.; Deutch, B.I.

    1995-03-01

    An experiment aimed at producing antihydrogen atoms by the reaction of cold antiprotons stored in a Penning trap with injected ground state positronium atoms is described. The apparatus developed in an attempt to observe the charge conjugate reaction using proton projectiles is discussed. Technically feasible upgrades to this apparatus are identified which may allow, in conjunction with the PS200 trap, antihydrogen production at LEAR.

  6. Cosmology and astrophysics from relaxed galaxy clusters - V. Consistency with cold dark matter structure formation

    NASA Astrophysics Data System (ADS)

    Mantz, A. B.; Allen, S. W.; Morris, R. G.

    2016-10-01

    This is the fifth in a series of papers studying the astrophysics and cosmology of massive, dynamically relaxed galaxy clusters. Our sample comprises 40 clusters identified as being dynamically relaxed and hot in Papers I and II of this series. Here we use constraints on cluster mass profiles from X-ray data to test some of the basic predictions of cosmological structure formation in the cold dark matter (CDM) paradigm. We present constraints on the concentration-mass relation for massive clusters, finding a power-law mass dependence with a slope of κm = -0.16 ± 0.07, in agreement with CDM predictions. For this relaxed sample, the relation is consistent with a constant as a function of redshift (power-law slope with 1 + z of κζ = -0.17 ± 0.26), with an intrinsic scatter of σln c = 0.16 ± 0.03. We investigate the shape of cluster mass profiles over the radial range probed by the data (typically ˜50 kpc-1 Mpc), and test for departures from the simple Navarro-Frenk-White (NFW) form, for which the logarithmic slope of the density profile tends to -1 at small radii. Specifically, we consider as alternatives the generalized NFW (GNFW) and Einasto parametrizations. For the GNFW model, we find an average value of (minus) the logarithmic inner slope of β = 1.02 ± 0.08, with an intrinsic scatter of σβ = 0.22 ± 0.07, while in the Einasto case we constrain the average shape parameter to be α = 0.29 ± 0.04 with an intrinsic scatter of σα = 0.12 ± 0.04. Our results are thus consistent with the simple NFW model on average, but we clearly detect the presence of intrinsic, cluster-to-cluster scatter about the average.

  7. Photoelectron spectroscopy of cold aluminum cluster anions: Comparison with density functional theory results

    NASA Astrophysics Data System (ADS)

    Ma, Lei; v. Issendorff, Bernd; Aguado, Andrés

    2010-03-01

    Photoelectron spectra of cold aluminum cluster anions Aln- have been measured in the size range n =13-75 and are compared to the results of density functional theory calculations. Good agreement between the measured spectra and the calculated density of states is obtained for most sizes, which gives strong evidence that the correct structures have been found. In particular the results confirm the occurrence of rather different structural motifs in this size range, from fcc-like stacks over fragments of decahedrons to disordered structures. An analysis of the density of states of representatives of the different structural motifs shows that the electronic structure is strongly influenced by the cluster geometry, and that a clear jelliumlike electron shell structure is present only in some exceptional cases.

  8. Possibilities for synthesis of new isotopes of superheavy nuclei in cold fusion reactions

    NASA Astrophysics Data System (ADS)

    Bao, X. J.; Gao, Y.; Li, J. Q.; Zhang, H. F.

    2016-04-01

    In order to find a way to produce superheavy nuclei (SHN), which appear in the gap between the SHN synthesized by cold fusion and those by hot fusion, or those so far not yet been produced in the laboratory, we tried to make use of a set of projectile isotopic chains, to use a radioactive beam projectile, and to test symmetric fusion reactions for gaining more neutrons to synthesize neutron-richer SHN based on the dinuclear system (DNS) model via cold fusion reactions. It is found that the nuclei 265Mt,Ds,272268,273Rg, and 274,275,276Cn may be produced with the detectable evaporation residual cross sections. The intensities of radioactive beams are significantly less than those of the stable beams, therefore using a stable beam is predicted to be the most favorable method for producing SHN. From the symmetric reaction system 136Xe+136Xe , no fusion event was found.

  9. The evolution of X-ray clusters in a cold plus hot dark matter universe

    NASA Technical Reports Server (NTRS)

    Bryan, Greg L.; Klypin, Anatoly; Loken, Chris; Norman, Michael L.; Burns, Jack O.

    1994-01-01

    We present the first self-consistently computed results on the evolution of X-ray properties of galaxy clusters in a cold + hot dark matter (CHDM) model. We have performed a hydrodynamic plus N-body simulation for the COBE-compatible CHDM model with standard mass components: Omega(sub hot) = 0.3, Omega (sub cold) = 0.6 and Omega(sub baryon) = 0.1 (h = 0.5). In contrast with the CDM model, which fails to reproduce the observed temperature distribution function dN/dT (Bryan et al. 1994b), the CHDM model fits the observational dN/dT quite well. Our results on X-ray luminosity are less firm but even more intriguing. We find that the resulting X-ray luminosity functions at redshifts z = 0.0, 0.2, 0.4, 0.7 are well fit by observations, where they overlap. The fact that both temperatures and luminosities provide a reasonable fit to the available observational data indicates that, unless we are missing some essential physics, there is neither room nor need for a large fraction of gas in rich clusters: 10% (or less) in baryons is sufficient to explain their X-ray properties. We also see a tight correlation between X-ray luminosity and gas temperature.

  10. Galaxy and cluster formation in a universe dominated by cold dark matter

    SciTech Connect

    Primack, J.R.

    1984-07-01

    The dark matter (DM) that appears to be gravitationally dominant on all astronomical scales larger than the cores of galaxies can be classified, on the basis of its characteristic free-streaming damping mass M/sub D/, as hot (M/sub D/ approx. 10/sup 15/ M/sub mass/), warm (M/sub D/ approx. 10/sup 11/ M/sub mass/), or cold (M/sub D < 10/sup 8/ M/sub mass/). For the case of cold DM, the shape of the DM fluctuation spectrum is determined by (a) the primordial spectrum (on scales larger than the horizon), and (b) stagspansion, the stagnation of the growth of DM fluctuations that enter the horizon while the universe is still radiation-dominated. An attractive feature of the cold dark matter hypothesis is its considerable predictive power: the post-recombination fluctuation spectrum is calculable, and it in turn governs the formation of galaxies and clusters. Good agreement with the data is obtained for a Zeldovich spectrum of primordial fluctuations.

  11. The rise and fall of a challenger: the Bullet Cluster in Λ cold darkmatter simulations

    NASA Astrophysics Data System (ADS)

    Thompson, Robert; Dave, Romeel; Nagamine, Kentaro

    2016-01-01

    The Bullet Cluster has provided some of the best evidence for the Λ cold dark matter (ΛCDM) model via direct empirical proof of the existence of collisionless dark matter, while posing a serious challenge owing to the unusually high inferred pairwise velocities of its progenitor clusters. Here we investigate the probability of finding such a high-velocity pair in large-volume N-body simulations, particularly focusing on differences between halo finding algorithms. We find that algorithms that do not account for the kinematics of infalling groups yield vastly different statistics and probabilities. When employing the Rockstar (RS) halo finder that considers particle velocities, we find numerous Bullet-like pair candidates that closely match not only the high pairwise velocity, but also the mass, mass ratio, separation distance, and collision angle of the initial conditions that have been shown to produce the Bullet Cluster in non-cosmological hydrodynamic simulations. The probability of finding a high pairwise velocity pair among haloes with Mhalo≥1014 M⊙ is 4.6×10-4 using RS, while it is ≈34× lower using a friends-of-friends (FOF) based approach as in previous studies. This is because the typical spatial extent of Bullet progenitors is such that FOF tends to group them into a single halo despite clearly distinct kinematics. Further requiring an appropriately high average mass among the two progenitors, we find the comoving number density of potential Bullet-like candidates to be on the order of ≈10-10 Mpc-3. Our findings suggest that ΛCDM straightforwardly produces massive, high relative velocity halo pairs analogous to Bullet Cluster progenitors, and hence the Bullet Cluster does not present a challenge to the ΛCDM model.

  12. Influence of projectile neutron number on cross section in cold fusion reactions

    SciTech Connect

    Dragojevic, Irena; Dragojevic, I.; Gregorich, K.E.; Dullmann, Ch.E.; Folden III, C.M.; Garcia, M.A.; Gates, J.M.; Nelson, S.L.; Sudowe, R.; Nitsche, H.

    2007-09-01

    Elements 107-112 [1,2] have been discovered in reactions between {sup 208}Pb or {sup 209}Bi targets and projectiles ranging from {sup 54}Cr through {sup 70}Zn. In such reactions, the compound nucleus can be formed at excitation energies as low as {approx}12 MeV, thus this type of reaction has been referred to as 'cold fusion'. The study of cold fusion reactions is an indispensable approach to gaining a better understanding of heavy element formation and decay. A theoretical model that successfully predicts not only the magnitudes of cold fusion cross sections, but also the shapes of excitation functions and the cross section ratios between various reaction pairs was recently developed by Swiatecki, Siwek-Wilczynska, and Wilczynski [3,4]. This theoretical model, also referred to as Fusion by Diffusion, has been the guide in all of our cold fusion studies. One particularly interesting aspect of this model is the large predicted difference in cross sections between projectiles differing by two neutrons. The projectile pair where this difference is predicted to be largest is {sup 48}Ti and {sup 50}Ti. To test and extend this model, {sup 208}Pb({sup 48}Ti,n){sup 255}Rf and {sup 208}Pb({sup 50}Ti,n){sup 257}Rf excitation functions were recently measured at the Lawrence Berkeley National Laboratory's (LBNL) 88-Inch Cyclotron utilizing the Berkeley Gas-filled Separator (BGS). The {sup 50}Ti reaction was carried out with thin lead targets ({approx}100 {micro}g/cm{sup 2}), and the {sup 48}Ti reaction with both thin and thick targets ({approx}470 {micro}g/cm{sup 2}). In addition to this reaction pair, reactions with projectile pairs {sup 52}Cr and {sup 54}Cr [5], {sup 56}Fe and {sup 58}Fe [6], and {sup 62}Ni [7] and {sup 64}Ni [8] will be discussed and compared to the Fusion by Diffusion predictions. The model predictions show a very good agreement with the data.

  13. Role of the neck degree of freedom in cold fusion reactions

    NASA Astrophysics Data System (ADS)

    Adamian, G. G.; Antonenko, N. V.; Lenske, H.

    2015-05-01

    Mass parameters for collective variables of dinuclear systems formed in cold fusion reactions are microscopically calculated with the linear response theory making use of the width of single-particle states and the fluctuation-dissipation theorem. The single-particle spectrum and potential energy surface of the adiabatic two-center shell model are used. The microscopical mass parameter in the neck is found to be much larger than one obtained with the hydrodynamical model. Therefore, the dinuclear system lives a rather long time, comparable to the characteristic time of fusion and, correspondingly, the fusion can be considered at fixed neck parameter. With an adiabatic melting of the dinuclear system along the internuclear distance into a compound system one cannot explain the experimental trends in cold fusion reactions.

  14. Premixed turbulent burning velocities derived from mixing controlled reaction models with cold front quenching

    SciTech Connect

    Catlin, C.A. ); Lindstedt, R.P. )

    1991-06-01

    This paper reports on the Eddy Breakup model investigated in two modified forms in which the reaction rate is quenched at the cold front of the flame. One quench criterion is based on the reaction progress variable (RPVQC) and the other on temperature (TQC). Burning velocities for the RPVQC have been calculated from the steady conservation equations by the use of apparently novel numerical and analytical eigenvalue techniques. Both RPVQC and TQC criteria were also studied in numerical simulations of transient one-dimensional flame propagation. The latter study also determined essential constraints on grid and time step size required to ensure accurate predictions. For the RPVQC the eigenvalue analysis and transient computations are in good agreement, provided the quench point is not close to the cold front.

  15. COLD ELECTRON REACTIONS PRODUCING THE ENERGETIC ISOMER OF HYDROGEN CYANIDE IN INTERSTELLAR CLOUDS

    SciTech Connect

    Mendes, Mario B.; Buhr, Henrik; Berg, Max H.; Froese, Michael; Grieser, Manfred; Jordon-Thaden, Brandon; Krantz, Claude; Novotny, Oldrich; Novotny, Steffen; Orlov, Dmitry A.; Petrignani, Annemieke; Repnow, Roland; Schwalm, Dirk; Shornikov, Andrey; Stuetzel, Julia; Wolf, Andreas; Heber, Oded; Rappaport, Michael L.; Zajfman, Daniel

    2012-02-10

    Using event-by-event fragment momentum spectroscopy in a storage-ring merged-beams experiment, we find laboratory evidence that in the dissociative recombination (DR) of HCNH{sup +} with cold electrons the energetic isomer HNC is produced with a high yield, similar to that of HCN. With a newly implemented mass-sensitive fragment imaging detector, we analyze the kinetic energy release of the triatomic fragments DCN/DNC from the DR reaction of the isotopologue DCND{sup +} with cold (near 10 K) electrons. The results show that the internal energy of these fragments is extremely high, far exceeding the isomerization barrier between DNC and DCN. From this laboratory characterization of the DR reaction we conclude that also the triatomic fragment HCN/HNC from the DR of HCNH{sup +} will carry a large amount of ro-vibrational excitation and show that this implies an isomeric production ratio in a narrow range near unity.

  16. Investigating the mechanism of the selective hydrogenation reaction of cinnamaldehyde catalyzed by Ptn clusters.

    PubMed

    Li, Laicai; Wang, Wei; Wang, Xiaolan; Zhang, Lin

    2016-08-01

    Cinnamaldehyde (CAL) belongs to the group of aromatic α,β-unsaturated aldehydes; the selective hydrogenation of CAL plays an important role in the fine chemical and pharmaceutical industries. Using Ptn clusters as catalytic models, we studied the selective hydrogenation reaction mechanism for CAL catalyzed by Ptn (n = 6, 10, 14, 18) clusters by means of B3LYP in density functional theory at the 6-31+ G(d) level (the LanL2DZ extra basis set was used for the Pt atom). The rationality of the transition state was proved by vibration frequency analysis and intrinsic reaction coordinate computation. Moreover, atoms in molecules theory and nature bond orbital theory were applied to discuss the interaction among orbitals and the bonding characteristics. The results indicate that three kinds of products, namely 3-phenylpropyl aldehyde, 3-phenyl allyl alcohol and cinnamyl alcohol, are produced in the selective hydrogenation reaction catalyzed by Ptn clusters; each pathway possesses two reaction channels. Ptn clusters are more likely to catalyze the activation and hydrogenation of the C = O bond in CAL molecules, eventually producing cinnamic alcohol, which proves that Ptn clusters have a strong reaction selectivity to catalyze CAL. The reaction selectivity of the catalyzer cluster is closely related to the size of the Ptn cluster, with Pt14 clusters having the greatest reaction selectivity. Graphical Abstract The reaction mechanism for the selective hydrogenation reaction ofcinnamaldehyde catalyzed by Ptn clusters was studied by densityfunctional theory. The reactionselectivity of cluster catalyzer was concluded to be closely related to the size of Ptn clusters, with Pt14 clusters having the greatest reaction selectivity. PMID:27444877

  17. Investigating the mechanism of the selective hydrogenation reaction of cinnamaldehyde catalyzed by Ptn clusters.

    PubMed

    Li, Laicai; Wang, Wei; Wang, Xiaolan; Zhang, Lin

    2016-08-01

    Cinnamaldehyde (CAL) belongs to the group of aromatic α,β-unsaturated aldehydes; the selective hydrogenation of CAL plays an important role in the fine chemical and pharmaceutical industries. Using Ptn clusters as catalytic models, we studied the selective hydrogenation reaction mechanism for CAL catalyzed by Ptn (n = 6, 10, 14, 18) clusters by means of B3LYP in density functional theory at the 6-31+ G(d) level (the LanL2DZ extra basis set was used for the Pt atom). The rationality of the transition state was proved by vibration frequency analysis and intrinsic reaction coordinate computation. Moreover, atoms in molecules theory and nature bond orbital theory were applied to discuss the interaction among orbitals and the bonding characteristics. The results indicate that three kinds of products, namely 3-phenylpropyl aldehyde, 3-phenyl allyl alcohol and cinnamyl alcohol, are produced in the selective hydrogenation reaction catalyzed by Ptn clusters; each pathway possesses two reaction channels. Ptn clusters are more likely to catalyze the activation and hydrogenation of the C = O bond in CAL molecules, eventually producing cinnamic alcohol, which proves that Ptn clusters have a strong reaction selectivity to catalyze CAL. The reaction selectivity of the catalyzer cluster is closely related to the size of the Ptn cluster, with Pt14 clusters having the greatest reaction selectivity. Graphical Abstract The reaction mechanism for the selective hydrogenation reaction ofcinnamaldehyde catalyzed by Ptn clusters was studied by densityfunctional theory. The reactionselectivity of cluster catalyzer was concluded to be closely related to the size of Ptn clusters, with Pt14 clusters having the greatest reaction selectivity.

  18. Cold-induced precipitation of a monoclonal IgM: a negative activation enthalpy reaction.

    PubMed

    Meliga, Stefano C; Farrugia, William; Ramsland, Paul A; Falconer, Robert J

    2013-01-17

    Cold-induced precipitation of a monoclonal IgM cryoglobulin isolated from a patient with Waldenström's macroglobulinemia was observed to have a negative activation enthalpy. The rate of the reaction increased, as the temperature decreased. Differential scanning calorimetry of the monoclonal IgM showed precipitation as an inverted peak during a downward temperature scan. The transition temperature was between 14 and 15 °C and was possibly concentration dependent. At temperatures below the transition the precipitation was best described by second-order kinetics. The difference in change in enthalpy between precipitation and disassociation suggests that cold-induced precipitation had a fast precipitation stage followed by a slower consolidation reaction. Negligible curvature of the Eyring plot suggested the precipitation reaction was dominated by van der Waal forces and hydrogen bonding. Conversely, during an upward temperature scan, disassociation was observed as a positive enthalpy peak. This reaction had two stages, a reaction undoing consolidation followed by heat-induced disassociation that had first-order kinetics.

  19. Formation Of Cometary Hydrocarbons By Hydrogen Addition Reactions On Cold Grains

    NASA Astrophysics Data System (ADS)

    Kobayashi, Hitomi; Watanabe, N.; Kawakita, H.; Fukushima, T.

    2012-10-01

    Hydrogen addition reactions on cold grains are considered to play an important role to form many kinds of volatiles in low temperature conditions like molecular clouds or early solar nebula. We can investigate the physical conditions (e.g., temperature, gas density, and etc.) of the early solar nebula via chemical properties of the pristine bodies like comets. The hydrocarbons like C2H2 and C2H6 have been studied so far and C2H6 might be a product of successive hydrogen addition of C2H2 on the cold grain. To evaluate the efficiency of hydrogen addition reactions from C2H2 to C2H6 quantitatively, we conducted laboratory measurements of those reactions under multiple conditions of the samples (on H2O ice) at different temperatures (10, 20, 30 K) with the LASSIE apparatus at Hokkaido University. Our results provide more detailed information about those reactions than previous quantitative studies. We discuss about the reaction rates with different samples and conditions.

  20. Cold-induced precipitation of a monoclonal IgM: a negative activation enthalpy reaction.

    PubMed

    Meliga, Stefano C; Farrugia, William; Ramsland, Paul A; Falconer, Robert J

    2013-01-17

    Cold-induced precipitation of a monoclonal IgM cryoglobulin isolated from a patient with Waldenström's macroglobulinemia was observed to have a negative activation enthalpy. The rate of the reaction increased, as the temperature decreased. Differential scanning calorimetry of the monoclonal IgM showed precipitation as an inverted peak during a downward temperature scan. The transition temperature was between 14 and 15 °C and was possibly concentration dependent. At temperatures below the transition the precipitation was best described by second-order kinetics. The difference in change in enthalpy between precipitation and disassociation suggests that cold-induced precipitation had a fast precipitation stage followed by a slower consolidation reaction. Negligible curvature of the Eyring plot suggested the precipitation reaction was dominated by van der Waal forces and hydrogen bonding. Conversely, during an upward temperature scan, disassociation was observed as a positive enthalpy peak. This reaction had two stages, a reaction undoing consolidation followed by heat-induced disassociation that had first-order kinetics. PMID:23240622

  1. Nucleus-nucleus cold fusion reactions analyzed with the l-dependent 'fusion by diffusion' model

    SciTech Connect

    Cap, T.; Siwek-Wilczynska, K.; Wilczynski, J.

    2011-05-15

    We present a modified version of the Fusion by Diffusion (FBD) model aimed at describing the synthesis of superheavy nuclei in cold fusion reactions, in which a low excited compound nucleus emits only one neutron. The modified FBD model accounts for the angular momentum dependence of three basic factors determining the evaporation residue cross section: the capture cross section {sigma}{sub cap}(l), the fusion probability P{sub fus}(l), and the survival probability P{sub surv}(l). The fusion hindrance factor, the inverse of P{sub fus}(l), is treated in terms of thermal fluctuations in the shape degrees of freedom and is expressed as a solution of the Smoluchowski diffusion equation. The l dependence of P{sub fus}(l) results from the l-dependent potential energy surface of the colliding system. A new parametrization of the distance of starting point of the diffusion process is introduced. An analysis of a complete set of 27 excitation functions for production of superheavy nuclei in cold fusion reactions, studied in experiments at GSI Darmstadt, RIKEN Tokyo, and LBNL Berkeley, is presented. The FBD model satisfactorily reproduces shapes and absolute cross sections of all the cold fusion excitation functions. It is shown that the peak position of the excitation function for a given 1n reaction is determined by the Q value of the reaction and the height of the fission barrier of the final nucleus. This fact could possibly be used in future experiments (with well-defined beam energy) for experimental determination of the fission barrier heights.

  2. Chemisorption and reactions on clusters of nickel atoms

    NASA Technical Reports Server (NTRS)

    Waber, J. T.; Adachi, H.; Yu, T.

    1982-01-01

    The nucleation and growth of metallic clusters on a substantially amorphous substrate are discussed with emphasis on the geometrical and electronic structure of the clusters. Several clusters of different symmetry containing five to nine nickel atoms were studied. It was found that the energy range of primary d-like states is not significantly different from the width of the d-band states in nickel metal, as long as the interatomic distance is comparable to that in the bulk metal. The approach of one or more molecules to the cluster is examined using at the hydrogenation of acetylene and the dehydrogenation of ethylene as examples.

  3. A new mathematical model to simulate AVA cold-induced vasodilation reaction to local cooling.

    PubMed

    Rida, Mohamad; Karaki, Wafaa; Ghaddar, Nesreen; Ghali, Kamel; Hoballah, Jamal

    2014-11-01

    The purpose of this work was to integrate a new mathematical model with a bioheat model, based on physiology and first principles, to predict thermoregulatory arterio-venous anastomoses (AVA) and cold-induced vasodilation (CIVD) reaction to local cooling. The transient energy balance equations of body segments constrained by thermoregulatory controls were solved numerically to predict segmental core and skin temperatures, and arterial blood flow for given metabolic rate and environmental conditions. Two similar AVA-CIVD mechanisms were incorporated. The first was activated during drop in local skin temperature (<32 °C). The second mechanism was activated at a minimum finger skin temperature, T(CIVD, min), where the AVA flow is dilated and constricted once the skin temperature reached a maximum value. The value of T(CIVD,min) was determined empirically from values reported in literature for hand immersions in cold fluid. When compared with published data, the model predicted accurately the onset time of CIVD at 25 min and T(CIVD,min) at 10 °C for hand exposure to still air at 0 °C. Good agreement was also obtained between predicted finger skin temperature and experimentally published values for repeated immersion in cold water at environmental conditions of 30, 25, and 20 °C. The CIVD thermal response was found related to core body temperature, finger skin temperature, and initial finger sensible heat loss rate upon exposure to cold fluid. The model captured central and local stimulations of the CIVD and accommodated observed variability reported in literature of onset time of CIVD reaction and T(CIVD,min).

  4. Molecular-dynamics analysis of mobile helium cluster reactions near surfaces of plasma-exposed tungsten

    SciTech Connect

    Hu, Lin; Maroudas, Dimitrios; Hammond, Karl D.; Wirth, Brian D.

    2015-10-28

    We report the results of a systematic atomic-scale analysis of the reactions of small mobile helium clusters (He{sub n}, 4 ≤ n ≤ 7) near low-Miller-index tungsten (W) surfaces, aiming at a fundamental understanding of the near-surface dynamics of helium-carrying species in plasma-exposed tungsten. These small mobile helium clusters are attracted to the surface and migrate to the surface by Fickian diffusion and drift due to the thermodynamic driving force for surface segregation. As the clusters migrate toward the surface, trap mutation (TM) and cluster dissociation reactions are activated at rates higher than in the bulk. TM produces W adatoms and immobile complexes of helium clusters surrounding W vacancies located within the lattice planes at a short distance from the surface. These reactions are identified and characterized in detail based on the analysis of a large number of molecular-dynamics trajectories for each such mobile cluster near W(100), W(110), and W(111) surfaces. TM is found to be the dominant cluster reaction for all cluster and surface combinations, except for the He{sub 4} and He{sub 5} clusters near W(100) where cluster partial dissociation following TM dominates. We find that there exists a critical cluster size, n = 4 near W(100) and W(111) and n = 5 near W(110), beyond which the formation of multiple W adatoms and vacancies in the TM reactions is observed. The identified cluster reactions are responsible for important structural, morphological, and compositional features in the plasma-exposed tungsten, including surface adatom populations, near-surface immobile helium-vacancy complexes, and retained helium content, which are expected to influence the amount of hydrogen re-cycling and tritium retention in fusion tokamaks.

  5. High-resolution electron microscopy observation and dislocation reaction mechanism of fivefold twinning in a Cu-rich precipitate in a cold rolled ferritic steel containing copper

    SciTech Connect

    Wang, Ling; Wang, Wei; Chen, Bolin; Zhou, Xiying; Li, Zhongwen; Zhou, Bangxin; Wang, Lumin

    2014-09-15

    Ferritic steels containing copper have been studied as model systems for clusters/precipitate formation in reactor pressure vessel steels. The samples were aged at 400 °C for 4000 h and subsequently cold rolled to 30% reduction at room temperature. The microstructural characteristics of the samples were analyzed using high-resolution transmission electron microscopy. Direct evidence was found that the fivefold twinning occurs via simultaneous emission of two Shockley partial dislocations from two particular α-Fe/Cu interfaces, and then the pileup tips of the twofold twin. - Highlights: • Fivefold twin is observed in a Cu-rich precipitate in cold rolled ferritic steels. • A dislocation reaction mechanism for the fivefold twin formation is proposed. • Two particular mismatching α-Fe/Cu-rich precipitate interfaces play a critical role.

  6. Statistical Description of Cluster Emission Including Direct Reactions

    SciTech Connect

    Betak, Emil

    2006-04-26

    The coalescence idea of the Iwamoto-Harada-Bisplinghoff model within the pre-equilibrium (exciton model) approach to nuclear reactions has been generalized and the links to direct reactions have been outlined.

  7. The molecular quantum rotor in cold reactions at the Langevin universal limit

    NASA Astrophysics Data System (ADS)

    Shagam, Yuval; Klein, Ayelet; Skomorowski, Wojciech; Yun, Renjie; Averbukh, Vitali; Koch, Christiane; Narevicius, Edvardas

    2015-05-01

    Fast chemical reactions have been predicted to be solely governed by long-range interactions as was established by Langevin in 1905. The theory has become central to astrochemistry, where fast chemical processes dominate, giving rise to collision energy scaling laws of reaction rates, such as E1/6 for the van der Waals interaction. Importantly, for molecular reactants, the presence of additional anisotropic long-range interactions, such as quadrupole-quadrupole, is predicted to surface only when the molecule is rotationally excited, changing the scaling law to E1/10. Although molecular reactions with near unit probability have been observed at ultra-cold temperatures, these scaling laws and the role of the rotational state remain unconfirmed experimentally. We report the direct observation of universal scaling laws in chemi-ionization reactions of H2 and HD by He(23P2) extending over three orders of magnitude in collision energies. For rotationally ground-state HD molecules the rate follows the E1/6 scaling, while for H2, where the majority of the molecules are rotationally excited, the scaling changes to E1/10 at low collision energies only. At the lowest collision energies the Wigner threshold laws start governing the reactions as the classical Langevin theory breaks down.

  8. Investigation of the reactions of small neutral iron oxide clusters with methanol

    NASA Astrophysics Data System (ADS)

    Xie, Yan; Dong, Feng; Heinbuch, Scott; Rocca, Jorge J.; Bernstein, Elliot R.

    2009-03-01

    Reactions of neutral iron oxide clusters (FemOn, m =1-2, n =0-5) with methanol (CH3OH) in a fast flow reactor are investigated by time of flight mass spectrometry. Detection of the neutral iron oxide cluster distribution and reaction intermediates and products is accomplished through single photon ionization by a 118 nm (10.5 eV) VUV laser. Partially deuterated methanol (CD3OH) is employed to distinguish reaction products and reaction mechanisms. Three major reactions are identified experimentally: CH3OH association with FeO; methanol dehydrogenation on FeO1,2 and Fe2O2-5; and (CH2O)Fe formation. Density functional theory calculations are carried out to identify reaction products, and to explore the geometric and electronic structures of the iron oxide clusters, reaction intermediates, and transition states, and to evaluate reaction pathways. Neutral formaldehyde is calculated to be formed on FeO1,2 and Fe2O2-5 clusters. Hydrogen transfer from methanol to iron oxide clusters occurs first from the O-H moiety of methanol, and is followed by a hydrogen transfer from the C-H moiety of methanol. Computational results are in good agreement with experimental observations and reveal reaction mechanisms for neutral iron oxide clusters taking methanol to formaldehyde through various reaction intermediates. Based on the experimental results and the calculated reaction mechanisms and pathways, complete catalytic cycles are suggested for the heterogeneous reaction of CH3OH to CH2O facilitated by an iron oxide catalyst.

  9. Photonuclear reaction to test cluster structure of Lithium

    SciTech Connect

    Akkurt, Iskender

    2008-11-11

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

  10. Cold reaction valleys in the radioactive decay of superheavy {sup 286}112, {sup 292}114, and {sup 296}116 nuclei

    SciTech Connect

    Santhosh, K. P.; Sabina, S.

    2012-08-15

    Cold reaction valleys in the radioactive decay of superheavy nuclei {sup 286}112, {sup 292}114, and {sup 296}116 are studied taking Coulomb and Proximity Potential as the interacting barrier. It is found that in addition to alpha particle, {sup 8}Be, {sup 14}C, {sup 28}Mg, {sup 34}Si, {sup 50}Ca, etc. are optimal cases of cluster radioactivity since they lie in the cold valleys. Two other regions of deep minima centered on {sup 208}Pb and {sup 132}Sn are also found. Within our Coulomb and Proximity Potential Model half-life times and other characteristics such as barrier penetrability, decay constant for clusters ranging from alpha particle to {sup 68}Ni are calculated. The computed alpha half-lives match with the values calculated using Viola-Seaborg-Sobiczewski systematics. The clusters {sup 8}Be and {sup 14}C are found to be most probable for emission with T{sub 1/2} < 10{sup 30} s. The alpha-decay chains of the three superheavy nuclei are also studied. The computed alpha-decay half-lives are compared with the values predicted by Generalized Liquid Drop Model and they are found to match reasonably well.

  11. MAGNETOHYDRODYNAMIC SIMULATIONS OF THE FORMATION OF COLD FRONTS IN CLUSTERS OF GALAXIES: EFFECTS OF ANISOTROPIC VISCOSITY

    SciTech Connect

    Suzuki, Kentaro; Ogawa, Takayuki; Matsumoto, Yosuke; Matsumoto, Ryoji E-mail: ogawa@astro.s.chiba-u.ac.jp E-mail: matumoto@astro.s.chiba-u.ac.jp

    2013-05-10

    We carried out three-dimensional magnetohydrodynamic simulations to study the effects of plasma viscosity on the formation of sharp discontinuities of density and temperature distributions, cold fronts, in clusters of galaxies. By fixing the gravitational potential that confines the cool, dense plasma in a moving subcluster, we simulated its interaction with the hot, lower density plasma around the subcluster. At the initial state, the intracluster medium (ICM) is assumed to be threaded by uniform magnetic fields. The enhancement of plasma viscosity along the direction of magnetic fields is incorporated as anisotropic viscosity depending on the direction of magnetic fields. We found that the Kelvin-Helmholtz instability at the surface of the subcluster grows even in models with anisotropic viscosity, because its effects on the velocity shear across the magnetic field lines are suppressed. We also found that magnetic fields around the interface between the subcluster and ICM are amplified even in the presence of viscosity, while magnetic fields behind the subcluster are amplified up to {beta}{sup -1} {approx} 0.01 in models with viscosity, whereas they are amplified up to {beta}{sup -1} {approx} 0.1 in models without viscosity, where {beta} is the ratio of gas pressure to magnetic pressure.

  12. Collisional activation of N2O decomposition and CO oxidation reactions on isolated rhodium clusters.

    PubMed

    Parry, Imogen S; Kartouzian, Aras; Hamilton, Suzanne M; Balaj, O Petru; Beyer, Martin K; Mackenzie, Stuart R

    2013-09-12

    The reactions of nitrous oxide decorated rhodium clusters, RhnN2O(+) (n = 5, 6), have been studied by Fourier transform ion cyclotron resonance mass spectrometry. Collision induced dissociation with Ar is shown to lead to one of two processes; desorption of the intact N2O moiety (indicating molecular adsorption in the parent cluster) or N2O decomposition liberating molecular nitrogen with the latter becoming increasingly dominant at higher collision energies. Consistent with the results of earlier studies, which employed infrared excitation [Hermes, A. C.; et al. J. Phys. Chem. Lett. 2011, 2, 3053], Rh5ON2O(+) is observed to behave qualitatively differently to Rh5N2O(+) with decomposition of the nitrous oxide dominating the chemistry of the former. In other experiments, the reactivity of RhnN2O(+) clusters with CO has been studied. Chemisorption of (13)CO is calculated to deposit ca. 2 eV into the parent cluster, initiating a range of chemical processes on the cluster surface, which are fit to a simple reaction mechanism. Clear differences are again observed in the reaction branching ratios for Rh5N2O(+) and Rh6N2O(+) parent cluster ions. For the n = 5 cluster, the combined N2O reduction/CO oxidation is the most significant reaction channel, while the n = 6 cluster preferentially is oxidized to Rh6O(+) with loss of N2 and CO. Even larger differences are observed in the reactions of the N2O decorated cluster oxides, RhnON2O(+), for which more reaction possibilities arise. The results of all studies are discussed in relation to infrared driven processes on the same parent cluster species [Hamilton, S. M.; et al. J. Am. Chem. Soc. 2010, 132, 1448; J. Phys. Chem. A, 2011, 115, 2489].

  13. The ^19F(p,γ)^20Ne Reaction and Breakout from the Cold CNO Cycle

    NASA Astrophysics Data System (ADS)

    Couture, Aaron; Daly, Jason; Giesen, Ulrich; Görres, Joachim; Lee, Hye-Young; Stech, Edward; Ugalde, Claudio; Wiescher, Michael

    2001-10-01

    The ^19F(p,γ)^20Ne reaction is considered the only candidate for breakout from the cold CNO cycle(Wiescher M., J. Görres, and H. Schatz. J. Phys. G: Nucl. Part. Phys. 25) 1999 R133-R161.. While the reaction rate is expected to be sufficiently small as to make the break-out negligible when considering CNO nucleosynthesis, this has not been experimentally demonstrated. The competing ^19F(p,αγ)^20Ne reaction creates a beam induced background that dominates the observed spectra. While ^19F(p,γ_0,1)^20Ne has been measured down to about 300 keV(Subotić), K. M., R. Ostojić, and B. Z. Stephančić. Nucl. Phys. A331 (1979) 491-501., to date only limited measurements have been made of the total cross-section of ^19F(p,γ)^20Ne at energies below 1 MeV. A new method for suppressing the ^19F(p,αγ)^20Ne background has been developed at the University of Notre Dame. This allowed new low-energy measurements the ^19F(p,γ)^20Ne reaction rates near the region of astrophysical interest. The first results of these measurements will be presented.

  14. The abundance and colours of galaxies in high-redshift clusters in the cold dark matter cosmology

    NASA Astrophysics Data System (ADS)

    Merson, Alexander I.; Baugh, Carlton M.; Gonzalez-Perez, Violeta; Abdalla, Filipe B.; Lagos, Claudia del P.; Mei, Simona

    2016-02-01

    High-redshift galaxy clusters allow us to examine galaxy formation in extreme environments. Here we compile data for 15 z > 1 galaxy clusters to test the predictions from a state-of-the-art semi-analytical model of galaxy formation. The model gives a good match to the slope and zero-point of the cluster red sequence. The model is able to match the cluster galaxy luminosity function at faint and bright magnitudes, but underestimates the number of galaxies around the break in the cluster luminosity function. We find that simply assuming a weaker dust attenuation improves the model predictions for the cluster galaxy luminosity function, but worsens the predictions for the red sequence at bright magnitudes. Examination of the properties of the bright cluster galaxies suggests that the default dust attenuation is large due to these galaxies having large reservoirs of cold gas as well as small radii. We find that matching the luminosity function and colours of high-redshift cluster galaxies, whilst remaining consistent with local observations, poses a challenge for galaxy formation models.

  15. Electron density estimation in cold magnetospheric plasmas with the Cluster Active Archive

    NASA Astrophysics Data System (ADS)

    Masson, A.; Pedersen, A.; Taylor, M. G.; Escoubet, C. P.; Laakso, H. E.

    2009-12-01

    Electron density is a key physical quantity to characterize any plasma medium. Its measurement is thus essential to understand the various physical processes occurring in the environment of a magnetized planet. However, any magnetosphere of the solar system is far from being an homogeneous medium with a constant electron density and temperature. For instance, the Earth’s magnetosphere is composed of a variety of regions with densities and temperatures spanning over at least 6 decades of magnitude. For this reason, different types of scientific instruments are usually carried onboard a magnetospheric spacecraft to estimate in situ the electron density of the various plasma regions crossed by different means. In the case of the European Space Agency Cluster mission, five different instruments on each of its four identical spacecraft can be used to estimate it: two particle instruments, a DC electric field instrument, a relaxation sounder and a high-time resolution passive wave receiver. Each of these instruments has its pros and cons depending on the plasma conditions. The focus of this study is the accurate estimation of the electron density in cold plasma regions of the magnetosphere including the magnetotail lobes (Ne ≤ 0.01 e-/cc, Te ~ 100 eV) and the plasmasphere (Ne> 10 e-/cc, Te <10 eV). In these regions, particle instruments can be blind to low energy ions outflowing from the ionosphere or measuring only a portion of the energy range of the particles due to photoelectrons. This often results in an under estimation of the bulk density. Measurements from a relaxation sounder enables accurate estimation of the bulk electron density above a fraction of 1 e-/cc but requires careful calibration of the resonances and/or the cutoffs detected. On Cluster, active soundings enable to derive precise density estimates between 0.2 and 80 e-/cc every minute or two. Spacecraft-to-probe difference potential measurements from a double probe electric field experiment can be

  16. Cluster-transfer reactions with radioactive beams: A spectroscopic tool for neutron-rich nuclei

    NASA Astrophysics Data System (ADS)

    Bottoni, S.; Leoni, S.; Fornal, B.; Raabe, R.; Rusek, K.; Benzoni, G.; Bracco, A.; Crespi, F. C. L.; Morales, A. I.; Bednarczyk, P.; Cieplicka-Oryńczak, N.; Królas, W.; Maj, A.; Szpak, B.; Callens, M.; Bouma, J.; Elseviers, J.; De Witte, H.; Flavigny, F.; Orlandi, R.; Reiter, P.; Seidlitz, M.; Warr, N.; Siebeck, B.; Hellgartner, S.; Mücher, D.; Pakarinen, J.; Vermeulen, M.; Bauer, C.; Georgiev, G.; Janssens, R. V. F.; Balabanski, D.; Sferrazza, M.; Kowalska, M.; Rapisarda, E.; Voulot, D.; Lozano Benito, M.; Wenander, F.

    2015-08-01

    An exploratory experiment performed at REX-ISOLDE to investigate cluster-transfer reactions with radioactive beams in inverse kinematics is presented. The aim of the experiment was to test the potential of cluster-transfer reactions at the Coulomb barrier as a mechanism to explore the structure of exotic neutron-rich nuclei. The reactions 7Li(98Rb,α xn ) and 7Li(98Rb,t xn ) were studied through particle-γ coincidence measurements, and the results are presented in terms of the observed excitation energies and spins. Moreover, the reaction mechanism is qualitatively discussed as a transfer of a clusterlike particle within a distorted-wave Born approximation framework. The results indicate that cluster-transfer reactions can be described well as a direct process and that they can be an efficient method to investigate the structure of neutron-rich nuclei at medium-high excitation energies and spins.

  17. Will water act as a photocatalyst for cluster phase chemical reactions? Vibrational overtone-induced dehydration reaction of methanediol

    SciTech Connect

    Kramer, Zeb C.; Takahashi, Kaito; Skodje, Rex T.; Vaida, Veronica

    2012-04-28

    The possibility of water catalysis in the vibrational overtone-induced dehydration reaction of methanediol is investigated using ab initio dynamical simulations of small methanediol-water clusters. Quantum chemistry calculations employing clusters with one or two water molecules reveal that the barrier to dehydration is lowered by over 20 kcal/mol because of hydrogen-bonding at the transition state. Nevertheless, the simulations of the reaction dynamics following OH-stretch excitation show little catalytic effect of water and, in some cases, even show an anticatalytic effect. The quantum yield for the dehydration reaction exhibits a delayed threshold effect where reaction does not occur until the photon energy is far above the barrier energy. Unlike thermally induced reactions, it is argued that competition between reaction and the irreversible dissipation of photon energy may be expected to raise the dynamical threshold for the reaction above the transition state energy. It is concluded that quantum chemistry calculations showing barrier lowering are not sufficient to infer water catalysis in photochemical reactions, which instead require dynamical modeling.

  18. Constraints on cold dark matter theories from observations of massive x-ray-luminous clusters of galaxies at high redshift

    NASA Technical Reports Server (NTRS)

    Luppino, G. A.; Gioia, I. M.

    1995-01-01

    During the course of a gravitational lensing survey of distant, X-ray selected Einstein Observatory Extended Medium Sensitivity Survey (EMSS) clusters of galaxies, we have studied six X-ray-luminous (L(sub x) greater than 5 x 10(exp 44)(h(sub 50)(exp -2))ergs/sec) clusters at redshifts exceeding z = 0.5. All of these clusters are apparently massive. In addition to their high X-ray luminosity, two of the clusters at z approximately 0.6 exhibit gravitationally lensed arcs. Furthermore, the highest redshift cluster in our sample, MS 1054-0321 at z = 0.826, is both extremely X-ray luminous (L(sub 0.3-3.5keV)=9.3 x 10(exp 44)(h(sub 50)(exp -2))ergs/sec) and exceedingly rich with an optical richness comparable to an Abell Richness Class 4 cluster. In this Letter, we discuss the cosmological implications of the very existence of these clusters for hierarchical structure formation theories such as standard Omega = 1 CDM (cold dark matter), hybrid Omega = 1 C + HDM (hot dark matter), and flat, low-density Lambda + CDM models.

  19. Catalytic reactions of gas phase zirconium oxide clusters with NO and CO revealed by post heating

    NASA Astrophysics Data System (ADS)

    Miyajima, Ken; Mafuné, Fumitaka

    2016-09-01

    Reactivity of gas phase zirconium oxide clusters (ZrnOm+) toward NO and CO gases was investigated by mass spectrometry in combination with post heating. Reaction of ZrnO2n+x+ with NO gas resulted in the depletion of extremely oxygen-deficient clusters and the formation of oxygen-rich clusters, ZrnO2n+x+ (0 ⩽ x ⩽ 3). Reaction with CO substantially lead to an increase in the amount of ZrnO2n-2+ and ZrnO2n-1+ clusters and depletion in the amount of ZrnO2n+. The catalytic cycle, achieved by regenerating ZrnO2n+ by the oxidation of ZrnO2n-2+ by NO, were discussed in comparison with the reactivity of cerium oxide clusters.

  20. Ambient preparation and reactions of gas phase silver cluster cations and anions.

    PubMed

    Wleklinski, Michael; Sarkar, Depanjan; Hollerbach, Adam; Pradeep, Thalappil; Cooks, R Graham

    2015-07-28

    Electrospray ionization of metal salt solutions followed by ambient heating transforms the resulting salt clusters into new species, primarily naked ionic metal clusters. The experiment is done by passing the clusters through a heated coiled loop outside the mass spectrometer which releases the counter-anion while generating the anionic or cationic naked metal cluster. The nature of the anion in the starting salt determines the type of metal cluster observed. For example, silver acetate upon heating generates only positive silver clusters, Ag(n)(+), but silver fluoride generates both positive and negative silver clusters, Ag(n)(+/-) (3 < n < 20). Both unheated and heated metal salt sprays yield ions with characteristic geometric and electronic magic numbers. There is also a strong odd/even effect in the cationic and anionic silver clusters. Thermochemical control is suggested as the basis for favored formation of the observed clusters, with anhydride elimination occurring from the acetates and fluorine elimination from the fluorides to give cationic and anionic clusters, respectively. Data on the intermediates observed as the temperature is ramped support this. The naked metal clusters react with gaseous reagents in the open air, including methyl substituted pyridines, hydrocarbons, common organic solvents, ozone, ethylene, and propylene. Argentation of hydrocarbons, including saturated hydrocarbons, is shown to occur and serves as a useful analytical ionization method. The new cluster formation methodology allows investigation of ligand-metal binding including in reactions of industrial importance, such as olefin epoxidation. These reactions provide insight into the physicochemical properties of silver cluster anions and cations. The potential use of the ion source in ion soft landing is demonstrated by reproducing the mass spectra of salts heated in air using a custom surface science instrument. PMID:26105831

  1. Chemistry of (and on) transition metal clusters: a Fourier transform ion cyclotron resonance study of the reaction of niobium cluster cations with nitric oxide.

    PubMed

    Harding, Daniel J; Oliver, Thomas A A; Walsh, Tiffany R; Drewello, Thomas; Woodruff, D Phil; Derrick, Peter J; Mackenzie, Stuart R

    2009-01-01

    The reactions of niobium cluster cations, Nb(+)(n) (n = 2-19), with nitric oxide have been investigated using Fourier transform ion cyclotron resonance mass spectrometry (FT-ICR). The overall reaction rate constants are found to be in reasonable agreement with collision rates calculated using the surface charge capture model. The dominant reaction for small clusters (n <9) involves reaction-induced fragmentation resulting in the loss of either NbO or NbN. By contrast, the main reaction observed for the larger clusters (n> 11) is sequential NO chemisorption. Clusters n = 9, 10 exhibit both extremes of behaviour and are the only clusters upon which there is evidence of NO decomposition with N(2) loss observed whenever multiple NO molecules are co-adsorbed. The rate constants for each process have been determined as a function of cluster size.

  2. Consecutive oxygen-for-sulfur exchange reactions between vanadium oxide cluster anions and hydrogen sulfide.

    PubMed

    Jia, Mei-Ye; Xu, Bo; Deng, Ke; He, Sheng-Gui; Ge, Mao-Fa

    2014-09-18

    Vanadium oxide cluster anions Vm(16)On(-) and Vm(18)On(-) were prepared by laser ablation and reacted with hydrogen sulfide (H2S) in a fast flow reactor under thermal collision conditions. A time-of-flight mass spectrometer was used to detect the cluster distributions before and after the interactions with H2S. The experiments suggest that the oxygen-for-sulfur (O/S) exchange reaction to release water was evidenced in the reactor for most of the cluster anions: VmOn(-) + H2S → VmOn-1S(-) + H2O. For reactions of clusters VO3(-) and VO4(-) with H2S, consecutive O/S exchange reactions led to the generation of sulfur containing vanadium oxide cluster anions VO3-kSk(-) (k = 1-3) and VO4-kSk(-) (k = 1-4). Density functional theory calculations were performed for the reactions of VO3-4(-) with H2S, and the results indicate that the O/S exchange reactions are both thermodynamically and kinetically favorable, which supports the experimental observations. The reactions of VmOn(+) cluster cations with H2S have been reported previously (Jia, M.-Y.; Xu, B.; Ding, X.-L.; Zhao, Y.-X.; He, S.-G.; Ge, M.-F. J. Phys. Chem. C 2012, 116, 9043), and this study of cluster anions provides further new insights into the transformations of H2S over vanadium oxides at the molecular level.

  3. Clustering and optimal arrangement of enzymes in reaction-diffusion systems.

    PubMed

    Buchner, Alexander; Tostevin, Filipe; Gerland, Ulrich

    2013-05-17

    Enzymes within biochemical pathways are often colocalized, yet the consequences of specific spatial enzyme arrangements remain poorly understood. We study the impact of enzyme arrangement on reaction efficiency within a reaction-diffusion model. The optimal arrangement transitions from a cluster to a distributed profile as a single parameter, which controls the probability of reaction versus diffusive loss of pathway intermediates, is varied. We introduce the concept of enzyme exposure to explain how this transition arises from the stochastic nature of molecular reactions and diffusion.

  4. Non-linear gravitational clustering of cold matter in an expanding universe: indications from 1D toy models

    NASA Astrophysics Data System (ADS)

    Joyce, Michael; Sicard, François

    2011-05-01

    Studies of a class of infinite 1D self-gravitating systems have highlighted that, on one hand, the spatial clustering which develops may have scale-invariant (fractal) properties and, on the other hand, they display ‘self-similar’ properties in their temporal evolution. The relevance of these results to 3D cosmological simulations has remained unclear. We show here that the measured exponents characterizing the scale-invariant non-linear clustering are in excellent agreement with those derived from an appropriately generalized ‘stable-clustering’ hypothesis. Further an analysis in terms of ‘haloes’ selected with a friend-of-friend algorithm reveals that such structures are, statistically, virialized across the range of scales corresponding to scale invariance. Thus the strongly non-linear clustering in these models is accurately described as a virialized fractal structure, very much in line with the ‘clustering hierarchy’ which Peebles originally envisaged qualitatively as associated with stable clustering. If transposed to 3Ds these results would imply, notably, that cold dark matter haloes (or even subhaloes) are (1) not well modelled as smooth objects and (2) that the supposed ‘universality’ of their profiles is, like apparent smoothness, an artefact of poor numerical resolution.

  5. On the Bonding Mechanism in Cold Spray of Deformable hex-BN-Ni Clusters

    NASA Astrophysics Data System (ADS)

    Neshastehriz, M.; Smid, I.; Segall, A. E.; Eden, T. J.

    2016-06-01

    Bond strength and the lubrication potential of coatings made of 7 µm Hexagonal Boron Nitride particles encapsulated with nickel (hBN-Ni), and deposited onto aluminum 6061 substrates via cold spray were examined; for all tests, N2 was used as the carrier gas at a temperature of 480 °C and pressure of 2.4 MPa. Results showed significant improvement in both wear resistance and reduced surface friction. Coated samples also demonstrated unexpected high bond strength, which was much greater than pure nickel cold sprayed onto aluminum. However, while the results were truly promising, the primary reason for the observed high bond strength could not be explained using existing cold spray theories which were primarily developed for pure metal particles. Based on the present findings compared to cold-sprayed layers of composite nickel-nickel (nickel particles encapsulated with nickel), a mechanism for bonding of hBN-Ni particles to aluminum based on the level of plastic deformation and hardenability is proposed. Indeed, the high bond strength between the coating and substrate is related to the relatively high initial ductility of the nickel encapsulation, compliance of the hBN, as well as the ensuing significant plastic deformation of the composite particles during cold spray deposition.

  6. Reactions of metal cluster anions with inorganic and organic molecules in the gas phase.

    PubMed

    Zhao, Yan-Xia; Liu, Qing-Yu; Zhang, Mei-Qi; He, Sheng-Gui

    2016-07-28

    The study of gas phase ion-molecule reactions by state-of-the-art mass spectrometric experiments in conjunction with quantum chemistry calculations offers an opportunity to clarify the elementary steps and mechanistic details of bond activation and conversion processes. In the past few decades, a considerable number of publications have been devoted to the ion-molecule reactions of metal clusters, the experimentally and theoretically tractable models for the active phase of condensed phase systems. The focus of this perspective concerns progress on activation and transformation of important inorganic and organic molecules by negatively charged metal clusters. The metal cluster anions cover bare metal clusters as well as ligated systems with oxygen, carbon, and nitrogen, among others. The following important issues have been summarized and discussed: (i) dependence of chemical reactivity and selectivity on cluster structures and sizes, metals and metal oxidation states, odd-even electron numbers, etc. and (ii) effects of doping, ligation, and pre-adsorption on the reactivity of metal clusters toward rather inert molecules. PMID:27346242

  7. Model of defect reactions and the influence of clustering in pulse-neutron-irradiated Si

    SciTech Connect

    Myers, S. M.; Cooper, P. J.; Wampler, W. R.

    2008-08-15

    Transient reactions among irradiation defects, dopants, impurities, and carriers in pulse-neutron-irradiated Si were modeled taking into account the clustering of the primal defects in recoil cascades. Continuum equations describing the diffusion, field drift, and reactions of relevant species were numerically solved for a submicrometer spherical volume, within which the starting radial distributions of defects could be varied in accord with the degree of clustering. The radial profiles corresponding to neutron irradiation were chosen through pair-correlation-function analysis of vacancy and interstitial distributions obtained from the binary-collision code MARLOWE, using a spectrum of primary recoil energies computed for a fast-burst fission reactor. Model predictions of transient behavior were compared with a variety of experimental results from irradiated bulk Si, solar cells, and bipolar-junction transistors. The influence of defect clustering during neutron bombardment was further distinguished through contrast with electron irradiation, where the primal point defects are more uniformly dispersed.

  8. Cluster geometry and survival probability in systems driven by reaction diffusion dynamics

    NASA Astrophysics Data System (ADS)

    Windus, Alastair; Jensen, Henrik J.

    2008-11-01

    We consider a reaction-diffusion model incorporating the reactions A→phi, A→2A and 2A→3A. Depending on the relative rates for sexual and asexual reproduction of the quantity A, the model exhibits either a continuous or first-order absorbing phase transition to an extinct state. A tricritical point separates the two phase lines. While we comment on this critical behaviour, the main focus of the paper is on the geometry of the population clusters that form. We observe the different cluster structures that arise at criticality for the three different types of critical behaviour and show that there exists a linear relationship for the survival probability against initial cluster size at the tricritical point only.

  9. Chemical reactions studied at ultra-low temperature in liquid helium clusters

    NASA Astrophysics Data System (ADS)

    Huisken, Friedrich; Krasnokutski, Serge A.

    2012-11-01

    Low-temperature reaction rates are important ingredients for astrophysical reaction networks modeling the formation of interstellar matter in molecular clouds. Unfortunately, such data is difficult to obtain by experimental means. In an attempt to study low-temperature reactions of astrophysical interest, we have investigated relevant reactions at ultralow temperature in liquid helium droplets. Being prepared by supersonic expansion of helium gas at high pressure through a nozzle into a vacuum, large helium clusters in the form of liquid droplets constitute nano-sized reaction vessels for the study of chemical reactions at ultra-low temperature. If the normal isotope 4He is used, the helium droplets are superfluid and characterized by a constant temperature of 0.37 K. Here we present results obtained for Mg, Al, and Si reacting with O2. Mass spectrometry was employed to characterize the reaction products. As it may be difficult to distinguish between reactions occurring in the helium droplets before they are ionized and ion-molecule reactions taking place after the ionization, additional techniques were applied to ensure that the reactions actually occurred in the helium droplets. This information was provided by measuring the chemiluminescence light emitted by the products, the evaporation of helium atoms by the release of the reaction heat, or by laser-spectroscopic identification of the reactants and products.

  10. Chemical reactions studied at ultra-low temperature in liquid helium clusters

    SciTech Connect

    Huisken, Friedrich; Krasnokutski, Serge A.

    2012-11-27

    Low-temperature reaction rates are important ingredients for astrophysical reaction networks modeling the formation of interstellar matter in molecular clouds. Unfortunately, such data is difficult to obtain by experimental means. In an attempt to study low-temperature reactions of astrophysical interest, we have investigated relevant reactions at ultralow temperature in liquid helium droplets. Being prepared by supersonic expansion of helium gas at high pressure through a nozzle into a vacuum, large helium clusters in the form of liquid droplets constitute nano-sized reaction vessels for the study of chemical reactions at ultra-low temperature. If the normal isotope {sup 4}He is used, the helium droplets are superfluid and characterized by a constant temperature of 0.37 K. Here we present results obtained for Mg, Al, and Si reacting with O{sub 2}. Mass spectrometry was employed to characterize the reaction products. As it may be difficult to distinguish between reactions occurring in the helium droplets before they are ionized and ion-molecule reactions taking place after the ionization, additional techniques were applied to ensure that the reactions actually occurred in the helium droplets. This information was provided by measuring the chemiluminescence light emitted by the products, the evaporation of helium atoms by the release of the reaction heat, or by laser-spectroscopic identification of the reactants and products.

  11. X-ray clusters from a high-resolution hydrodynamic PPM simulation of the cold dark matter universe

    NASA Technical Reports Server (NTRS)

    Bryan, Greg L.; Cen, Renyue; Norman, Michael L.; Ostriker, Jermemiah P.; Stone, James M.

    1994-01-01

    A new three-dimensional hydrodynamic code based on the piecewise parabolic method (PPM) is utilized to compute the distribution of hot gas in the standard Cosmic Background Explorer (COBE)-normalized cold dark matter (CDM) universe. Utilizing periodic boundary conditions, a box with size 85 h(exp-1) Mpc, having cell size 0.31 h(exp-1) Mpc, is followed in a simulation with 270(exp 3)=10(exp 7.3) cells. Adopting standard parameters determined from COBE and light-element nucleosynthesis, Sigma(sub 8)=1.05, Omega(sub b)=0.06, we find the X-ray-emitting clusters, compute the luminosity function at several wavelengths, the temperature distribution, and estimated sizes, as well as the evolution of these quantities with redshift. The results, which are compared with those obtained in the preceding paper (Kang et al. 1994a), may be used in conjuction with ROSAT and other observational data sets. Overall, the results of the two computations are qualitatively very similar with regard to the trends of cluster properties, i.e., how the number density, radius, and temeprature depend on luminosity and redshift. The total luminosity from clusters is approximately a factor of 2 higher using the PPM code (as compared to the 'total variation diminishing' (TVD) code used in the previous paper) with the number of bright clusters higher by a similar factor. The primary conclusions of the prior paper, with regard to the power spectrum of the primeval density perturbations, are strengthened: the standard CDM model, normalized to the COBE microwave detection, predicts too many bright X-ray emitting clusters, by a factor probably in excess of 5. The comparison between observations and theoretical predictions for the evolution of cluster properties, luminosity functions, and size and temperature distributions should provide an important discriminator among competing scenarios for the development of structure in the universe.

  12. Cold gas in cluster cores: global stability analysis and non-linear simulations of thermal instability

    NASA Astrophysics Data System (ADS)

    Choudhury, Prakriti Pal; Sharma, Prateek

    2016-04-01

    We perform global linear stability analysis and idealized numerical simulations in global thermal balance to understand the condensation of cold gas from hot/virial atmospheres (coronae), in particular the intracluster medium (ICM). We pay particular attention to geometry (e.g. spherical versus plane-parallel) and the nature of the gravitational potential. Global linear analysis gives a similar value for the fastest growing thermal instability modes in spherical and Cartesian geometries. Simulations and observations suggest that cooling in haloes critically depends on the ratio of the cooling time to the free-fall time (tcool/tff). Extended cold gas condenses out of the ICM only if this ratio is smaller than a threshold value close to 10. Previous works highlighted the difference between the nature of cold gas condensation in spherical and plane-parallel atmospheres; namely, cold gas condensation appeared easier in spherical atmospheres. This apparent difference due to geometry arises because the previous plane-parallel simulations focused on in situ condensation of multiphase gas but spherical simulations studied condensation anywhere in the box. Unlike previous claims, our non-linear simulations show that there are only minor differences in cold gas condensation, either in situ or anywhere, for different geometries. The amount of cold gas depends on the shape of tcool/tff; gas has more time to condense if gravitational acceleration decreases towards the centre. In our idealized plane-parallel simulations with heating balancing cooling in each layer, there can be significant mass/energy/momentum transfer across layers that can trigger condensation and drive tcool/tff far beyond the critical value close to 10.

  13. Intracluster Ion Molecule Reactions Following the Generation of Mg+ Within Polar Clusters

    PubMed Central

    Alsharaeh, Edreese H.

    2011-01-01

    In this work we investigated the intracluster ion molecule reactions following the generation of Mg+ within the polar clusters (water, methanol, ether and acetonitrile), using time of flight mass spectrometry. In the case of Mg+/water and Mg+/methanol, dehydrogenation reactions are observed after the addition of five molecules. However, no dehydrogenation reactions are observed in the case of Mg+/ether or Mg+/acetonitrile clusters. This confirms the role of the H atom in (O–H) in the dehydrogenation reaction, and rules out any contribution from the H atom in the CH3 group. In addition, the magic numbers in the time of flight (TOF) mass spectra of the Mg+Xn clusters (X = H2O, CH3OH, CH3OCH3 and CH3CN) have been investigated. Finally, the role of ground electronic magnesium ion Mg+(2S1/2), and excited electronic magnesium ion Mg+(2P1/2) in the dehydrogenation reaction were investigated using Ion Mobility Mass spectrometry. The results offer direct evidence confirming the absence of the electronically excited, Mg+(2P1/2). PMID:22272121

  14. Intracluster ion molecule reactions following the generation of Mg+ within polar clusters.

    PubMed

    Alsharaeh, Edreese H

    2011-01-01

    In this work we investigated the intracluster ion molecule reactions following the generation of Mg(+) within the polar clusters (water, methanol, ether and acetonitrile), using time of flight mass spectrometry. In the case of Mg(+)/water and Mg(+)/methanol, dehydrogenation reactions are observed after the addition of five molecules. However, no dehydrogenation reactions are observed in the case of Mg(+)/ether or Mg(+)/acetonitrile clusters. This confirms the role of the H atom in (O-H) in the dehydrogenation reaction, and rules out any contribution from the H atom in the CH(3) group. In addition, the magic numbers in the time of flight (TOF) mass spectra of the Mg(+)X(n) clusters (X = H(2)O, CH(3)OH, CH(3)OCH(3) and CH(3)CN) have been investigated. Finally, the role of ground electronic magnesium ion Mg(+)((2)S(1/2)), and excited electronic magnesium ion Mg(+)((2)P(1/2)) in the dehydrogenation reaction were investigated using Ion Mobility Mass spectrometry. The results offer direct evidence confirming the absence of the electronically excited, Mg(+)((2)P(1/2)). PMID:22272121

  15. Hot gas in the cold dark matter scenario: X-ray clusters from a high-resolution numerical simulation

    NASA Technical Reports Server (NTRS)

    Kang, Hyesung; Cen, Renyue; Ostriker, Jeremiah P.; Ryu, Dongsu

    1994-01-01

    A new, three-dimensional, shock-capturing hydrodynamic code is utilized to determine the distribution of hot gas in a standard cold dark matter (CDM) model of the universe. Periodic boundary conditions are assumed: a box with size 85 h(exp -1) Mpc having cell size 0.31 h(exp -1) Mpc is followed in a simulation with 270(exp 3) = 10(exp 7.3) cells. Adopting standard parameters determined from COBE and light-element nucleosynthesis, sigma(sub 8) = 1.05, omega(sub b) = 0.06, and assuming h = 0.5, we find the X-ray-emitting clusters and compute the luminosity function at several wavelengths, the temperature distribution, and estimated sizes, as well as the evolution of these quantities with redshift. We find that most of the total X-ray emissivity in our box originates in a relatively small number of identifiable clusters which occupy approximately 10(exp -3) of the box volume. This standard CDM model, normalized to COBE, produces approximately 5 times too much emission from clusters having L(sub x) is greater than 10(exp 43) ergs/s, a not-unexpected result. If all other parameters were unchanged, we would expect adequate agreement for sigma(sub 8) = 0.6. This provides a new and independent argument for lower small-scale power than standard CDM at the 8 h(exp -1) Mpc scale. The background radiation field at 1 keV due to clusters in this model is approximately one-third of the observed background, which, after correction for numerical effects, again indicates approximately 5 times too much emission and the appropriateness of sigma(sub 8) = 0.6. If we have used the observed ratio of gas to total mass in clusters, rather than basing the mean density on light-element nucleosynthesis, then the computed luminosity of each cluster would have increased still further, by a factor of approximately 10. The number density of clusters increases to z approximately 1, but the luminosity per typical cluster decreases, with the result that evolution in the number density of bright

  16. Receptor clustering affects signal transduction at the membrane level in the reaction-limited regime

    NASA Astrophysics Data System (ADS)

    Caré, Bertrand R.; Soula, Hédi A.

    2013-01-01

    Many types of membrane receptors are found to be organized as clusters on the cell surface. We investigate the potential effect of such receptor clustering on the intracellular signal transduction stage. We consider a canonical pathway with a membrane receptor (R) activating a membrane-bound intracellular relay protein (G). We use Monte Carlo simulations to recreate biochemical reactions using different receptor spatial distributions and explore the dynamics of the signal transduction. Results show that activation of G by R is severely impaired by R clustering, leading to an apparent blunted biological effect compared to control. Paradoxically, this clustering decreases the half maximal effective dose (ED50) of the transduction stage, increasing the apparent affinity. We study an example of inter-receptor interaction in order to account for possible compensatory effects of clustering and observe the parameter range in which such interactions slightly counterbalance the loss of activation of G. The membrane receptors’ spatial distribution affects the internal stages of signal amplification, suggesting a functional role for membrane domains and receptor clustering independently of proximity-induced receptor-receptor interactions.

  17. KAT-7 science verification: cold gas, star formation, and substructure in the nearby Antlia Cluster

    NASA Astrophysics Data System (ADS)

    Hess, Kelley M.; Jarrett, T. H.; Carignan, Claude; Passmoor, Sean S.; Goedhart, Sharmila

    2015-09-01

    The Antlia Cluster is a nearby, dynamically young structure, and its proximity provides a valuable opportunity for detailed study of galaxy and group accretion on to clusters. We present a deep H I mosaic completed as part of spectral line commissioning of the Karoo Array Telescope (KAT-7), and identify infrared counterparts from the Widefield Infrared Survey Explorer extended source catalogue to study neutral atomic gas content and star formation within the cluster. We detect 37 cluster members out to a radius of ˜0.9 Mpc with M_{H I}>5× 10^7 M⊙. Of these, 35 are new H I detections, 27 do not have previous spectroscopic redshift measurements, and one is the Compton thick Seyfert II, NGC 3281, which we detect in H I absorption. The H I galaxies lie beyond the X-ray-emitting region 200 kpc from the cluster centre and have experienced ram pressure stripping out to at least 600 kpc. At larger radii, they are distributed asymmetrically suggesting accretion from surrounding filaments. Combining H I with optical redshifts, we perform a detailed dynamical analysis of the internal substructure, identify large infalling groups, and present the first compilation of the large-scale distribution of H I and star-forming galaxies within the cluster. We find that elliptical galaxy NGC 3268 is at the centre of the oldest substructure and argue that NGC 3258 and its companion population are more recent arrivals. Through the presence of H I and ongoing star formation, we rank substructures with respect to their relative time since accretion on to Antlia.

  18. OT1_sveilleu_1: Cold Gas and Dust in the Filamentary Complexes of Cluster Cooling Flows

    NASA Astrophysics Data System (ADS)

    Veilleux, S.

    2010-07-01

    We propose to obtain deep PACS + SPIRE far-IR photometry and 2D PACS [C II] 158 um spectroscopy of 7 cooling-flow clusters with extended Halpha filaments to constrain the properties of the dust and cooling gas in these systems. Our targets are part of a large sample of clusters that were imaged at Halpha using the Maryland Magellan Tunable Filter (MMTF) as part of a comprehensive multiwavelength survey. The superb sensitivity and resolution of the MMTF data have uncovered, often for the very first time, spectacular filaments of warm ionized gas extending as far as 50 kpc from the cluster core. The origin and heating source of these filaments remains a mystery. Our MMTF images have served as a guide to extract on-filament X-ray and optical spectra for a large sample of clusters, leading to the discovery that the X-ray ICM is cooling at a highly accelerated rate in the vicinity of these filaments. This direct link between the warm and hot phases may be the first direct evidence for the purported cooling flow. Given the high FIR fluxes detected in cluster cores, it is possible that dust grain cooling plays an important role in the cooling flow process. However, it remains unclear whether the observed dust is associated with the warm filaments or limited to the center of the brightest cluster galaxy (BCG). Current key programs cannot address this question given their lack of information on the Halpha filaments. Our proposed Herschel observations of the 7 cooling-flows clusters from our sample with the most extended Halpha filaments will directly address this question and help us determine: a) the role of dust cooling in the cooling-flow process, b) whether the observed dust is associated with the BCG or the warm filaments, and c) whether gas is cooling below 10^4 K, the temperature probed by Halpha. Providing answers to these questions will improve our understanding of the cooling processes in galaxy clusters and constrain the role of heating processes, such as AGN

  19. Fluorescent probes for tracking the transfer of iron-sulfur cluster and other metal cofactors in biosynthetic reaction pathways.

    PubMed

    Vranish, James N; Russell, William K; Yu, Lusa E; Cox, Rachael M; Russell, David H; Barondeau, David P

    2015-01-14

    Iron-sulfur (Fe-S) clusters are protein cofactors that are constructed and delivered to target proteins by elaborate biosynthetic machinery. Mechanistic insights into these processes have been limited by the lack of sensitive probes for tracking Fe-S cluster synthesis and transfer reactions. Here we present fusion protein- and intein-based fluorescent labeling strategies that can probe Fe-S cluster binding. The fluorescence is sensitive to different cluster types ([2Fe-2S] and [4Fe-4S] clusters), ligand environments ([2Fe-2S] clusters on Rieske, ferredoxin (Fdx), and glutaredoxin), and cluster oxidation states. The power of this approach is highlighted with an extreme example in which the kinetics of Fe-S cluster transfer reactions are monitored between two Fdx molecules that have identical Fe-S spectroscopic properties. This exchange reaction between labeled and unlabeled Fdx is catalyzed by dithiothreitol (DTT), a result that was confirmed by mass spectrometry. DTT likely functions in a ligand substitution reaction that generates a [2Fe-2S]-DTT species, which can transfer the cluster to either labeled or unlabeled Fdx. The ability to monitor this challenging cluster exchange reaction indicates that real-time Fe-S cluster incorporation can be tracked for a specific labeled protein in multicomponent assays that include several unlabeled Fe-S binding proteins or other chromophores. Such advanced kinetic experiments are required to untangle the intricate networks of transfer pathways and the factors affecting flux through branch points. High sensitivity and suitability with high-throughput methodology are additional benefits of this approach. We anticipate that this cluster detection methodology will transform the study of Fe-S cluster pathways and potentially other metal cofactor biosynthetic pathways.

  20. The environmental history of group and cluster galaxies in a Λ cold dark matter universe

    NASA Astrophysics Data System (ADS)

    De Lucia, Gabriella; Weinmann, Simone; Poggianti, Bianca M.; Aragón-Salamanca, Alfonso; Zaritsky, Dennis

    2012-06-01

    We use publicly available galaxy merger trees, obtained applying semi-analytic techniques to a large high-resolution cosmological simulation, to study the environmental history of group and cluster galaxies. Our results highlight the existence of an intrinsic history bias which makes the nature versus nurture (as well as the mass versus environment) debate inherently ill posed. In particular, we show that (i) surviving massive satellites were accreted later than their less massive counterparts, from more massive haloes and (ii) the mixing of galaxy populations is incomplete during halo assembly, which creates a correlation between the time a galaxy becomes satellite and its present distance from the parent halo centre. The weakest trends are found for the most massive satellites, as a result of efficient dynamical friction and late formation times of massive haloes. A large fraction of the most massive group/cluster members are accreted on to the main progenitor of the final halo as central galaxies, while about half of the galaxies with low and intermediate stellar masses are accreted as satellites. Large fractions of group and cluster galaxies (in particular those of low stellar mass) have therefore been ‘pre-processed’ as satellites of groups with mass ˜1013 M⊙. To quantify the relevance of hierarchical structure growth on the observed environmental trends, we have considered observational estimates of the passive galaxy fractions and their variation as a function of halo mass and clustercentric distance. Comparisons with our theoretical predictions require relatively long times (˜5-7 Gyr) for the suppression of star formation in group and cluster satellites. It is unclear how such a gentle mode of strangulation can be achieved by simply relaxing the assumption of instantaneous stripping of the hot gas reservoir associated with accreting galaxies, or if the difficulties encountered by recent galaxy formation models in reproducing the observed trends

  1. Kinetics of Cold-Cap Reactions for Vitrification of Nuclear Waste Glass Based on Simultaneous Differential Scanning Calorimetry - Thermogravimetry (DSC-TGA) and Evolved Gas Analysis (EGA)

    SciTech Connect

    Rodriguez, Carmen P.; Pierce, David A.; Schweiger, Michael J.; Kruger, Albert A.; Chun, Jaehun; Hrma, Pavel R.

    2013-12-03

    For vitrifying nuclear waste glass, the feed, a mixture of waste with glass-forming and modifying additives, is charged onto the cold cap that covers 90-100% of the melt surface. The cold cap consists of a layer of reacting molten glass floating on the surface of the melt in an all-electric, continuous glass melter. As the feed moves through the cold cap, it undergoes chemical reactions and phase transitions through which it is converted to molten glass that moves from the cold cap into the melt pool. The process involves a series of reactions that generate multiple gases and subsequent mass loss and foaming significantly influence the mass and heat transfers. The rate of glass melting, which is greatly influenced by mass and heat transfers, affects the vitrification process and the efficiency of the immobilization of nuclear waste. We studied the cold-cap reactions of a representative waste glass feed using both the simultaneous differential scanning calorimetry thermogravimetry (DSC-TGA) and the thermogravimetry coupled with gas chromatography-mass spectrometer (TGA-GC-MS) as complementary tools to perform evolved gas analysis (EGA). Analyses from DSC-TGA and EGA on the cold-cap reactions provide a key element for the development of an advanced cold-cap model. It also helps to formulate melter feeds for higher production rate.

  2. Cluster dynamics models of irradiation damage accumulation in ferritic iron. II. Effects of reaction dimensionality

    SciTech Connect

    Kohnert, Aaron A.; Wirth, Brian D.

    2015-04-21

    The black dot damage features which develop in iron at low temperatures exhibit significant mobility during in situ irradiation experiments via a series of discrete, intermittent, long range hops. By incorporating this mobility into cluster dynamics models, the temperature dependence of such damage structures can be explained with a surprising degree of accuracy. Such motion, however, is one dimensional in nature. This aspect of the physics has not been fully considered in prior models. This article describes one dimensional reaction kinetics in the context of cluster dynamics and applies them to the black dot problem. This allows both a more detailed description of the mechanisms by which defects execute irradiation-induced hops while allowing a full examination of the importance of kinetic assumptions in accurately assessing the development of this irradiation microstructure. Results are presented to demonstrate whether one dimensional diffusion alters the dependence of the defect population on factors such as temperature and defect hop length. Finally, the size of interstitial loops that develop is shown to depend on the extent of the reaction volumes between interstitial clusters, as well as the dimensionality of these interactions.

  3. Facile synthesis of surfactant-free Au cluster/graphene hybrids for high-performance oxygen reduction reaction.

    PubMed

    Yin, Huajie; Tang, Hongjie; Wang, Dan; Gao, Yan; Tang, Zhiyong

    2012-09-25

    Non-Pt noble metal clusters like Au clusters are believed to be promising high performance catalysts for the oxygen reduction reaction (ORR) at the cathode of fuel cells, but they still suffer big problems during the catalysis reactions, such as a large amount of the capping agents being on the surface and easy occurrence of dissolution and aggregation. To overcome these obstacles, here, we present a novel and general strategy to grow ultrafine Au clusters and other metal (Pt, Pd) clusters on the reduced graphene oxide (rGO) sheets without any additional protecting molecule or reductant. Compared with the currently generally adopted nanocatalysts, including commercial Pt/C, rGO sheets, Au nanoparticle/rGO hybrids, and thiol-capped Au clusters of the same sizes, the as-synthesized Au cluster/rGO hybrids display an impressive eletrocatalytic performance toward ORR, for instance, high onset potential, superior methanol tolerance, and excellent stability.

  4. Magnetophoretic potential at the movement of cluster products of electrochemical reactions in an inhomogeneous magnetic field

    SciTech Connect

    Gorobets, O. Yu. Gorobets, Yu. I.; Rospotniuk, V. P.

    2015-08-21

    An electric field arises from the influence of a nonuniform static magnetic field on charged colloid particles with magnetic susceptibility different from that of the surrounding liquid. It arises, for example, under the influence of a nonuniform static magnetic field in clusters of electrochemical reaction products created during metal etching, deposition, and corrosion processes without an external electric current passing through an electrolyte near a magnetized electrode surface. The corresponding potential consists of a Nernst potential of inhomogeneous distribution of concentration of colloid particles and a magnetophoretic potential (MPP). This potential has been calculated using a thermodynamic approach based on the equations of thermodynamics of nonequilibrium systems and the Onsager relations for a mass flow of correlated magnetic clusters under a gradient magnetic force in the electrolyte. The conditions under which the MPP contribution to the total electric potential may be significant are discussed with a reference to the example of a corroding spherical ferromagnetic steel electrode.

  5. α-clustering effects in dissipative 12C + 12C reactions at 95 MeV

    NASA Astrophysics Data System (ADS)

    Baiocco, G.; Morelli, L.; Gulminelli, F.; D'Agostino, M.; Bruno, M.; Abbondanno, U.; Barlini, S.; Bini, M.; Carboni, S.; Casini, G.; Cinausero, M.; Degerlier, M.; Gramegna, F.; Kravchuk, V. L.; Marchi, T.; Olmi, A.; Pasquali, G.; Piantelli, S.; Raduta, Ad. R.

    2013-05-01

    Dissipative 12C+12C reactions at 95 MeV are fully detected in charge with the GARFIELD and RCo apparatuses at Laboratori Nazionali di Legnaro. A comparison to a dedicated Hauser-Feshbach calculation allows us to select events which correspond, to a large extent, to the statistical evaporation of highly excited 24Mg, as well as to extract information on the isotopic distribution of the evaporation residues in coincidence with their complete evaporation chain. Residual deviations from statistical behavior are observed in α yields and attributed to the persistence of cluster correlations well above the 24Mg threshold for six-α decay.

  6. Reactions of silver atoms and clusters in Ag-NaA zeolites

    NASA Astrophysics Data System (ADS)

    Waşowicz, Tomasz; Michalik, Jacek

    The agglomeration of silver in hydrated and dehydrated Ag-NaA zeolites gamma irradiated at 77 K has been studied by ESR. The agglomeration process is radiation-induced in hydrated samples whereas in dehydrated ones is initiated by thermal autoreduction. In the result different silver clusters are stabilized at room temperature, Ag 2+3…Ag + becomes stabilized in hydrated zeolites and Ag n+ 6 in dehydrated ones. Silver hexamers have been reacted with various molecular adsorbates. The reaction rate depends on molecular size and nucleophilic character of adsorbate. In the presence of water and small alcohols silver hexamers are transformed to the elongated tetramers.

  7. Is gold actor or spectator in the reaction of small AunPd{m/+} clusters with O2?

    NASA Astrophysics Data System (ADS)

    Lang, Sandra M.; Frank, Anja; Fleischer, Irene; Bernhardt, Thorsten M.

    2013-01-01

    The reactivity of free binary gold-palladium clusters (AuPd2+, Au2Pd+, Au2Pd2+, and Au2Pd3+) toward molecular oxygen was investigated in an ion trap experiment under multi-collision conditions and compared to the reactivities of bare Aun+ and Pdm+ (n, m = 2 - 5) clusters. Reaction kinetics measurements revealed that the reaction rate is mainly determined by the number of palladium atoms in the clusters and only weakly influenced by additional gold atoms. The same holds true for the observed reaction product distributions. Most interestingly, the most reactive cluster ions Pd3+, Au2Pd3+, and Pd5+ exhibit a strong preference to form tetroxide products, AunPdmO4+. In addition, employing temperature dependent mass spectrometry, a second adsorption species consisting of several weakly bound oxygen molecules was identified for all investigated palladium containing clusters which is, however, only formed at cryogenic temperatures. All these observations suggest that the gold atoms largely act upon a spectator role in the reaction of the binary clusters. Nevertheless, a rough estimation of the relative O2 binding energies via statistical rate theory indicates that the addition of gold to the Pdn+ clusters decreases the O2-cluster interaction strength, although the reaction rate stays constant. This effect in the binary clusters may be of importance to a potential activation and dissociation of the adsorbed O2 molecules. ISSPIC 16 - 16th International Symposium on Small Particles and Inorganic Clusters, edited by Kristiaan Temst, Margriet J. Van Bael, Ewald Janssens, H.-G. Boyen and Françoise Remacle.

  8. Heterogeneous reaction probabilities, solubilities, and the physical state of cold volcanic aerosols

    NASA Technical Reports Server (NTRS)

    Toon, O.; Browell, E.; Gary, B.; Lait, L.; Livingston, J.; Newman, P.; Pueschel, R.; Russell, P.; Schoeberl, M.; Toon, G.

    1993-01-01

    On 19 January 1992, heterogeneous loss of HNO3, ClNO3, and HCl was observed in part of the Mount Pinatubo volcanic cloud that had cooled as a result of forced ascent. Portions of the volcanic cloud froze near 191 kelvin. The reaction probability of ClNO3 and the solubility of HNO3 were close to laboratory measurements on liquid sulfuric acid. The magnitude of the observed loss of HCl suggests that it underwent a heterogeneous reaction. Such reactions could lead to substantial loss of HCl on background sulfuric acid particles and so be important for polar ozone loss.

  9. How much can we learn from a merging cold front cluster? Insights from X-ray temperature and radio maps of A3667

    SciTech Connect

    Datta, Abhirup; Schenck, David E.; Burns, Jack O.; Skillman, Samuel W.; Hallman, Eric J.

    2014-10-01

    The galaxy cluster A3667 is an ideal laboratory to study the plasma processes in the intracluster medium. High-resolution Chandra X-ray observations show a cold front in A3667. At radio wavelengths, A3667 reveals a double radio-relic feature in the outskirts of the cluster. These suggest multiple merger events in this cluster. In this paper, we analyze the substantial archival X-ray observations of A3667 from the Chandra X-ray Observatory and compare these with existing radio observations as well as state-of-the-art adaptive mesh refinement MHD cosmological simulations using Enzo. We have used two temperature map making techniques, weighted Voronoi tessellation and adaptive circular binning, to produce the high-resolution and largest field-of-view temperature maps of A3667. These high-fidelity temperature maps allow us to study the X-ray shocks in the cluster using a new two-dimensional shock-finding algorithm. We have also estimated the Mach numbers from the shocks inferred from previous ATCA radio observations. The combined shock statistics from the X-ray and radio data are in agreement with the shock statistics in a simulated MHD cluster. We have also studied the profiles of the thermodynamic properties across the cold front using ∼447 ks from the combined Chandra observations on A3667. Our results show that the stability of the cold front in A3667 can be attributed to the suppression of the thermal conduction across the cold front by a factor of ∼100-700 compared to the classical Spitzer value.

  10. Reaction-induced cluster ripening and initial size-dependent reaction rates for CO oxidation on Pt(n)/TiO2(110)-(1×1).

    PubMed

    Bonanni, Simon; Aït-Mansour, Kamel; Harbich, Wolfgang; Brune, Harald

    2014-06-18

    We determined the CO oxidation rates for size-selected Ptn (n ∈ {3,7,10}) clusters deposited onto TiO2(110). In addition, we investigated the cluster morphologies and their mean sizes before and after the reaction. While the clusters are fairly stable upon annealing in ultrahigh vacuum up to 600 K, increasing the temperature while adsorbing either one of the two reactants leads to ripening already from 430 K on. This coarsening is even more pronounced when both reactants are dosed simultaneously, i.e., running the CO oxidation reaction. Since the ripening depends on the size initially deposited, there is nevertheless a size effect; the catalytic activity decreases monotonically with increasing initial cluster size.

  11. Reaction-induced cluster ripening and initial size-dependent reaction rates for CO oxidation on Pt(n)/TiO2(110)-(1×1).

    PubMed

    Bonanni, Simon; Aït-Mansour, Kamel; Harbich, Wolfgang; Brune, Harald

    2014-06-18

    We determined the CO oxidation rates for size-selected Ptn (n ∈ {3,7,10}) clusters deposited onto TiO2(110). In addition, we investigated the cluster morphologies and their mean sizes before and after the reaction. While the clusters are fairly stable upon annealing in ultrahigh vacuum up to 600 K, increasing the temperature while adsorbing either one of the two reactants leads to ripening already from 430 K on. This coarsening is even more pronounced when both reactants are dosed simultaneously, i.e., running the CO oxidation reaction. Since the ripening depends on the size initially deposited, there is nevertheless a size effect; the catalytic activity decreases monotonically with increasing initial cluster size. PMID:24870394

  12. Photoelectron Spectroscopy of Transition Metal Hydride Cluster Anions and Their Roles in Hydrogenation Reactions

    NASA Astrophysics Data System (ADS)

    Zhang, Xinxing; Bowen, Kit

    The interaction between transition metals and hydrogen has been an intriguing research topic for such applications as hydrogen storage and catalysis of hydrogenation and dehydrogenation. Special bonding features between TM and hydrogen are interesting not only because they are scarcely reported but also because they could help to discover and understand the nature of chemical bonding. Very recently, we discovered a PtZnH5- cluster which possessed an unprecedented planar pentagonal coordination between the H5- moiety and Pt, and exhibited special σ-aromaticity. The H5-kernel as a whole can be viewed as a η5-H5 ligand for Pt. As the second example, an H2 molecule was found to act as a ligand in the PdH3-cluster, in which two H atoms form a η2-H2 type of ligation to Pd. These transition metal hydride clusters were considered to be good hydrogen sources for hydrogenation. The reactions between PtHn- and CO2 were investigated. We observed formate in the final product H2Pt(HCO2)- .

  13. Cluster states and container picture in light nuclei, and triple-alpha reaction rate

    NASA Astrophysics Data System (ADS)

    Funaki, Yasuro

    2015-04-01

    The excited states in 12C are investigated by using an extended version of the so- called Tohsaki-Horiuchi-Schuck-Röpke (THSR) wave function, where both the 3α condensate and 8Be + α cluster asymptotic configurations are included. We focus on the structures of the “Hoyle band” states, 2+2, and 4+2 states, which are recently observed above the Hoyle state, and of the 0+3 and 0+4 states, which are also quite recently identified in experiment. We show that the Hoyle band is not simply considered to be the 8Be(0+) + α rotation as suggested by previous cluster model calculations, nor to be a rotation of a rigid-body triangle-shaped object composed of the 3α particles. We also discuss the rate of the triple-alpha radiative capture reaction, applyng the imaginary-time method. Results of the triple-alpha reaction rate are consistent with NACRE rate for both high (≈ 109K) and low (≈ 107 K) temperatures. We show that the rate of the imaginary-time calculation in coupled-channels approach has a large enhancement for low temperatures if we truncate the number of channels.

  14. Reactions between cold methyl halide molecules and alkali-metal atoms

    SciTech Connect

    Lutz, Jesse J.; Hutson, Jeremy M.

    2014-01-07

    We investigate the potential energy surfaces and activation energies for reactions between methyl halide molecules CH{sub 3}X (X = F, Cl, Br, I) and alkali-metal atoms A (A = Li, Na, K, Rb) using high-level ab initio calculations. We examine the anisotropy of each intermolecular potential energy surface (PES) and the mechanism and energetics of the only available exothermic reaction pathway, CH{sub 3}X + A → CH{sub 3} + AX. The region of the transition state is explored using two-dimensional PES cuts and estimates of the activation energies are inferred. Nearly all combinations of methyl halide and alkali-metal atom have positive barrier heights, indicating that reactions at low temperatures will be slow.

  15. Methane activation by cobalt cluster cations, Con+ (n=2-16): Reaction mechanisms and thermochemistry of cluster-CHx (x=0-3) complexes

    NASA Astrophysics Data System (ADS)

    Citir, Murat; Liu, Fuyi; Armentrout, P. B.

    2009-02-01

    The kinetic energy dependences of the reactions of Con+ (n =2-16) with CD4 are studied in a guided ion beam tandem mass spectrometer over the energy range of 0-10 eV. The main products are hydride formation, ConD+, dehydrogenation to form ConCD2+, and double dehydrogenation yielding ConC+. These primary products decompose to form secondary and higher order products, ConCD+, Con-1D+, Con-1C+, Con-1CD+, and Con-1CD2+ at higher energies. Adduct formation of ConCD4+ is also observed for the largest cluster cations, n ≥10. In general, the efficiencies of the single and double dehydrogenation processes increase with cluster size, although the hexamer cation shows a reduced reactivity compared to its neighbors. All reactions exhibit thresholds, and cross sections for the various primary and secondary reactions are analyzed to yield reaction thresholds from which bond energies for cobalt cluster cations to D, C, CD, CD2, and CD3 are determined. The relative magnitudes of these bond energies are consistent with simple bond order considerations. Bond energies for larger clusters rapidly reach relatively constant values, which are used to estimate the chemisorption energies of the C, CD, CD2, and CD3 molecular fragments to cobalt surfaces.

  16. Accelerated carbonation using municipal solid waste incinerator bottom ash and cold-rolling wastewater: Performance evaluation and reaction kinetics.

    PubMed

    Chang, E-E; Pan, Shu-Yuan; Yang, Liuhanzi; Chen, Yi-Hung; Kim, Hyunook; Chiang, Pen-Chi

    2015-09-01

    Accelerated carbonation of alkaline wastes including municipal solid waste incinerator bottom ash (MSWI-BA) and the cold-rolling wastewater (CRW) was investigated for carbon dioxide (CO2) fixation under different operating conditions, i.e., reaction time, CO2 concentration, liquid-to-solid ratio, particle size, and CO2 flow rate. The MSWI-BA before and after carbonation process were analyzed by the thermogravimetry and differential scanning calorimetry, X-ray diffraction, and scanning electron microscopy equipped with energy dispersive X-ray spectroscopy. The MSWI-BA exhibits a high carbonation conversion of 90.7%, corresponding to a CO2 fixation capacity of 102g perkg of ash. Meanwhile, the carbonation kinetics was evaluated by the shrinking core model. In addition, the effect of different operating parameters on carbonation conversion of MSWI-BA was statistically evaluated by response surface methodology (RSM) using experimental data to predict the maximum carbonation conversion. Furthermore, the amount of CO2 reduction and energy consumption for operating the proposed process in refuse incinerator were estimated. Capsule abstract: CO2 fixation process by alkaline wastes including bottom ash and cold-rolling wastewater was developed, which should be a viable method due to high conversion.

  17. Accelerated carbonation using municipal solid waste incinerator bottom ash and cold-rolling wastewater: Performance evaluation and reaction kinetics.

    PubMed

    Chang, E-E; Pan, Shu-Yuan; Yang, Liuhanzi; Chen, Yi-Hung; Kim, Hyunook; Chiang, Pen-Chi

    2015-09-01

    Accelerated carbonation of alkaline wastes including municipal solid waste incinerator bottom ash (MSWI-BA) and the cold-rolling wastewater (CRW) was investigated for carbon dioxide (CO2) fixation under different operating conditions, i.e., reaction time, CO2 concentration, liquid-to-solid ratio, particle size, and CO2 flow rate. The MSWI-BA before and after carbonation process were analyzed by the thermogravimetry and differential scanning calorimetry, X-ray diffraction, and scanning electron microscopy equipped with energy dispersive X-ray spectroscopy. The MSWI-BA exhibits a high carbonation conversion of 90.7%, corresponding to a CO2 fixation capacity of 102g perkg of ash. Meanwhile, the carbonation kinetics was evaluated by the shrinking core model. In addition, the effect of different operating parameters on carbonation conversion of MSWI-BA was statistically evaluated by response surface methodology (RSM) using experimental data to predict the maximum carbonation conversion. Furthermore, the amount of CO2 reduction and energy consumption for operating the proposed process in refuse incinerator were estimated. Capsule abstract: CO2 fixation process by alkaline wastes including bottom ash and cold-rolling wastewater was developed, which should be a viable method due to high conversion. PMID:26025583

  18. A Pt-cluster-based heterogeneous catalyst for homogeneous catalytic reactions: X-ray absorption spectroscopy and reaction kinetic studies of their activity and stability against leaching.

    PubMed

    Li, Yimin; Liu, Jack Hung-Chang; Witham, Cole A; Huang, Wenyu; Marcus, Matthew A; Fakra, Sirine C; Alayoglu, Pinar; Zhu, Zhongwei; Thompson, Christopher M; Arjun, Arpana; Lee, Kihong; Gross, Elad; Toste, F Dean; Somorjai, Gabor A

    2011-08-31

    The design and development of metal-cluster-based heterogeneous catalysts with high activity, selectivity, and stability under solution-phase reaction conditions will enable their applications as recyclable catalysts in large-scale fine chemicals production. To achieve these required catalytic properties, a heterogeneous catalyst must contain specific catalytically active species in high concentration, and the active species must be stabilized on a solid catalyst support under solution-phase reaction conditions. These requirements pose a great challenge for catalysis research to design metal-cluster-based catalysts for solution-phase catalytic processes. Here, we focus on a silica-supported, polymer-encapsulated Pt catalyst for an electrophilic hydroalkoxylation reaction in toluene, which exhibits superior selectivity and stability against leaching under mild reaction conditions. We unveil the key factors leading to the observed superior catalytic performance by combining X-ray absorption spectroscopy (XAS) and reaction kinetic studies. On the basis of the mechanistic understandings obtained in this work, we also provide useful guidelines for designing metal-cluster-based catalyst for a broader range of reactions in the solution phase. PMID:21721543

  19. [Effect of training on treadmill performance, aerobic capacity and body reactions to acute cold exposure].

    PubMed

    Iakushkin, A V; Akimov, E B; Andreev, R S; Kalenov, Iu N; Kozlov, A V; Kuznetsova, O V; Son'kin, V D

    2014-01-01

    An attempt was made to test the hypothesis that regular physical activity at the anaerobic threshold is able to stimulate an increase in the amount of body fat brown or beige, which can manifest itself in increasing lactate utilization during exercise and increase the reactivity in response to acute regional cooling. The methods used are: ramp test, regional acute cold exposure, measurement of gas exchange, lactate and glucose in the blood, heart rate, and heart rate variability, blood pressure and respiration variability at rest and during standard functional tests; infrared thermal imaging, statistical methods of results analysis. Workout 10 physically active volunteers (7 males and 3 females) on a treadmill at a speed corresponding to 75-80% of the persona VO2max for 30 minutes 3 times per week at a fixed ambient temperature 21-22°C for 6 weeks resulted in a significant (from 19 to 39%) increase in test work duration but VO2max on average changed little. The increase in power of anaerobic threshold was associated with a sharp slowdown in the accumulation of lactate in progress of ramp test. Lactate utilization rate during the recovery period, on the contrary, increased. In general, significantly increased work efficiency at a test load. Not revealed noticeable changes in the condition and response to a standard functional tests of autonomic systems, as judged by heart rate variability, blood pressure and respiration variability at rest and during orthostatic tests and imposed breathing rhythm. The functional response of the body to acute cold exposure (1 minute cooling of the feet in ice water) is not changed after a cycle of training--either in terms of metabolism (oxygen consumption, etc.), or the dynamics of the skin temperature in areas of most probable location of brown adipose tissue (BAT). These data do not confirm the previously expressed (2010) hypothesis about the function of BAT as a universal homeostatic instrument in the body. Probably, if under

  20. Approaching complete low-spin spectroscopy of 210Bi with a cold-neutron capture reaction

    NASA Astrophysics Data System (ADS)

    Cieplicka-Oryńczak, N.; Fornal, B.; Leoni, S.; Bazzacco, D.; Blanc, A.; Bocchi, G.; Bottoni, S.; de France, G.; Jentschel, M.; Köster, U.; Mutti, P.; Simpson, G.; Soldner, T.; Szpak, B.; Ur, C.; Urban, W.

    2016-05-01

    The low-spin structure of the 210Bi nucleus was investigated in the neutron capture experiment 209Bi(n ,γ )210Bi performed at ILL Grenoble at the PF1B cold-neutron facility. By using the EXILL multidetector array, consisting of 46 high-purity germanium crystals, and γ γ -coincidence technique, 64 primary γ rays were observed (40 new) and a total number of 70 discrete states (33 new) were located below the neutron binding energy in 210Bi. The analysis of the angular correlations of γ rays provided information about transitions multipolarities, which made it possible to confirm most of the previously known spin-parity assignments and helped establish new ones. The obtained experimental results were compared to shell-model calculations involving one-valence-proton, one-valence-neutron excitations outside the 208Pb core. It has been found that while up to the energy of ˜2 MeV each state observed in 210Bi has its calculated counterpart; at higher excitation energies some levels cannot be described by the valence particle couplings. These states may arise from couplings of valence particles to the 3- octupole phonon of the doubly magic 208Pb core and may serve as a testing ground for models which describe single particle-phonon excitations.

  1. Al13@Pt42 Core-Shell Cluster for Oxygen Reduction Reaction

    NASA Astrophysics Data System (ADS)

    Xiao, B. B.; Zhu, Y. F.; Lang, X. Y.; Wen, Z.; Jiang, Q.

    2014-06-01

    To increase Pt utilization for oxygen reduction reaction (ORR) in fuel cells, reducing particle sizes of Pt is a valid way. However, poisoning or surface oxidation limits the smallest size of Pt particles at 2.6 nm with a low utility of 20%. Here, using density functional theory calculations, we develop a core-shell Al13@Pt42 cluster as a catalyst for ORR. Benefit from alloying with Al in this cluster, the covalent Pt-Al bonding effectively activates the Pt atoms at the edge sites, enabling its high utility up to 70%. Valuably, the adsorption energy of O is located at the optimal range with 0.0-0.4 eV weaker than Pt(111), while OH-poisoning does not observed. Moreover, ORR comes from O2 dissociation mechanism where the rate-limiting step is located at OH formation from O and H with a barrier of 0.59 eV, comparable with 0.50 eV of OH formation from O and H2O on Pt(111).

  2. Al13@Pt42 core-shell cluster for oxygen reduction reaction.

    PubMed

    Xiao, B B; Zhu, Y F; Lang, X Y; Wen, Z; Jiang, Q

    2014-01-01

    To increase Pt utilization for oxygen reduction reaction (ORR) in fuel cells, reducing particle sizes of Pt is a valid way. However, poisoning or surface oxidation limits the smallest size of Pt particles at 2.6 nm with a low utility of 20%. Here, using density functional theory calculations, we develop a core-shell Al13@Pt42 cluster as a catalyst for ORR. Benefit from alloying with Al in this cluster, the covalent Pt-Al bonding effectively activates the Pt atoms at the edge sites, enabling its high utility up to 70%. Valuably, the adsorption energy of O is located at the optimal range with 0.0-0.4 eV weaker than Pt(111), while OH-poisoning does not observed. Moreover, ORR comes from O2 dissociation mechanism where the rate-limiting step is located at OH formation from O and H with a barrier of 0.59 eV, comparable with 0.50 eV of OH formation from O and H2O on Pt(111). PMID:24902886

  3. Sensing Size through Clustering in Non-Equilibrium Membranes and the Control of Membrane-Bound Enzymatic Reactions

    PubMed Central

    Vagne, Quentin; Turner, Matthew S.; Sens, Pierre

    2015-01-01

    The formation of dynamical clusters of proteins is ubiquitous in cellular membranes and is in part regulated by the recycling of membrane components. We show, using stochastic simulations and analytic modeling, that the out-of-equilibrium cluster size distribution of membrane components undergoing continuous recycling is strongly influenced by lateral confinement. This result has significant implications for the clustering of plasma membrane proteins whose mobility is hindered by cytoskeletal “corrals” and for protein clustering in cellular organelles of limited size that generically support material fluxes. We show how the confinement size can be sensed through its effect on the size distribution of clusters of membrane heterogeneities and propose that this could be regulated to control the efficiency of membrane-bound reactions. To illustrate this, we study a chain of enzymatic reactions sensitive to membrane protein clustering. The reaction efficiency is found to be a non-monotonic function of the system size, and can be optimal for sizes comparable to those of cellular organelles. PMID:26656912

  4. Geometries, thermodynamic properties and reactions of methylzinc alkoxide clusters studied by density functional theory calculations.

    PubMed

    Steudel, Ralf; Steudel, Yana

    2006-07-20

    Methylzinc alkoxide complexes are precursors for the preparation of nanosized zinc oxide particles, which in turn are catalysts or reagents in important industrial processes such as methanol synthesis and rubber vulcanization. We report for the first time the structures, energies, atomic charges, dipole moments, and vibrational spectra of more than 20 species of the type [(MeZnOR')n] with R' = H, Me, tBu and n = 1-6, calculated by density functional theory methods, mostly at the B3LYP/6-31+G* level of theory. For R' = Me, the global minimum structure of the tetramer (n = 4) is a highly symmetrical heterocubane but a ladder-type isomer is by only 70.9 kJ mol(-1) less stable. The corresponding trimer is most stable as a rooflike structure; a planar six-membered ring of relative energy 13.5 kJ mol(-1) corresponds to a saddle point connecting two equivalent rooflike trimer structures. All dimers form planar four-membered Zn2O2 rings whereas the monomer has a planar CZnOC backbone. A hexameric drumlike structure represents the global minimum on the potential energy hypersurface of [(MeZnOMe)6]. The enthalpies and Gibbs energies of the related dissociation reactions hexamer --> tetramer --> trimer --> dimer --> monomer as well as of a number of isomerization reactions have been calculated. The complexes [(MeZnOMe)n] (n = 1-3) form adducts with Lewis bases such as tetrahydrofuran (thf) and pyridine (py). The binding energy of py to the zinc atoms is about 65% larger than that of thf but is not large enough to break up the larger clusters. The bimolecular disproportionation of [(MeZnOMe)4] with formation of the dicubane [Zn{(MeZn)3(OMe)4}2] and Me2Zn is less endothermic than any isomerization or dissociation reaction of the heterocubane, but for steric reasons this reaction is not possible if R' = tBu. A novel reaction mechanism for the reported interconversion, disproportionation and ligand exchange reactions of zinc alkoxide complexes is proposed. PMID:16836455

  5. Waterhammer Modeling for the Ares I Upper Stage Reaction Control System Cold Flow Development Test Article

    NASA Technical Reports Server (NTRS)

    Williams, Jonathan H.

    2010-01-01

    The Upper Stage Reaction Control System provides three-axis attitude control for the Ares I launch vehicle during active Upper Stage flight. The system design must accommodate rapid thruster firing to maintain the proper launch trajectory and thus allow for the possibility to pulse multiple thrusters simultaneously. Rapid thruster valve closure creates an increase in static pressure, known as waterhammer, which propagates throughout the propellant system at pressures exceeding nominal design values. A series of development tests conducted in the fall of 2009 at Marshall Space Flight Center were performed using a water-flow test article to better understand fluid performance characteristics of the Upper Stage Reaction Control System. A subset of the tests examined waterhammer along with the subsequent pressure and frequency response in the flight-representative system and provided data to anchor numerical models. This thesis presents a comparison of waterhammer test results with numerical model and analytical results. An overview of the flight system, test article, modeling and analysis are also provided.

  6. Accelerated carbonation using municipal solid waste incinerator bottom ash and cold-rolling wastewater: Performance evaluation and reaction kinetics

    SciTech Connect

    Chang, E-E; Pan, Shu-Yuan; Yang, Liuhanzi; Chen, Yi-Hung; Kim, Hyunook; Chiang, Pen-Chi

    2015-09-15

    Highlights: • Carbonation was performed using CO{sub 2}, wastewater and bottom ash in a slurry reactor. • A maximum capture capacity of 102 g CO{sub 2} per kg BA was achieved at mild conditions. • A maximum carbonation conversion of MSWI-BA was predicted to be 95% by RSM. • The CO{sub 2} emission from Bali incinerator could be expected to reduce by 6480 ton/y. • The process energy consumption per ton CO{sub 2} captured was estimated to be 180 kW h. - Abstract: Accelerated carbonation of alkaline wastes including municipal solid waste incinerator bottom ash (MSWI-BA) and the cold-rolling wastewater (CRW) was investigated for carbon dioxide (CO{sub 2}) fixation under different operating conditions, i.e., reaction time, CO{sub 2} concentration, liquid-to-solid ratio, particle size, and CO{sub 2} flow rate. The MSWI-BA before and after carbonation process were analyzed by the thermogravimetry and differential scanning calorimetry, X-ray diffraction, and scanning electron microscopy equipped with energy dispersive X-ray spectroscopy. The MSWI-BA exhibits a high carbonation conversion of 90.7%, corresponding to a CO{sub 2} fixation capacity of 102 g per kg of ash. Meanwhile, the carbonation kinetics was evaluated by the shrinking core model. In addition, the effect of different operating parameters on carbonation conversion of MSWI-BA was statistically evaluated by response surface methodology (RSM) using experimental data to predict the maximum carbonation conversion. Furthermore, the amount of CO{sub 2} reduction and energy consumption for operating the proposed process in refuse incinerator were estimated. Capsule abstract: CO{sub 2} fixation process by alkaline wastes including bottom ash and cold-rolling wastewater was developed, which should be a viable method due to high conversion.

  7. Reactions of synthetic [2Fe-2S] and [4Fe-4S] clusters with nitric oxide and nitrosothiols.

    PubMed

    Harrop, Todd C; Tonzetich, Zachary J; Reisner, Erwin; Lippard, Stephen J

    2008-11-19

    The interaction of nitric oxide (NO) with iron-sulfur cluster proteins results in degradation and breakdown of the cluster to generate dinitrosyl iron complexes (DNICs). In some cases the formation of DNICs from such cluster systems can lead to activation of a regulatory pathway or the loss of enzyme activity. In order to understand the basic chemistry underlying these processes, we have investigated the reactions of NO with synthetic [2Fe-2S] and [4Fe-4S] clusters. Reaction of excess NO(g) with solutions of [Fe2S2(SR)4](2-) (R = Ph, p-tolyl (4-MeC6H4), or 1/2 (CH2)2-o-C6H4) cleanly affords the respective DNIC, [Fe(NO)2(SR)2](-), with concomitant reductive elimination of the bridging sulfide ligands as elemental sulfur. The structure of (Et4N)[Fe(NO)2(S-p-tolyl)2] was verified by X-ray crystallography. Reactions of the [4Fe-4S] clusters, [Fe4S4(SR)4](2-) (R = Ph, CH2Ph, (t)Bu, or 1/2 (CH2)-m-C6H4) proceed in the absence of added thiolate to yield Roussin's black salt, [Fe4S3(NO)7](-). In contrast, (Et4N)2[Fe4S4(SPh)4] reacts with NO(g) in the presence of 4 equiv of (Et4N)(SPh) to yield the expected DNIC. For all reactions, we could reproduce the chemistry effected by NO(g) with the use of trityl-S-nitrosothiol (Ph3CSNO) as the nitric oxide source. These results demonstrate possible pathways for the reaction of iron-sulfur clusters with nitric oxide in biological systems and highlight the importance of thiolate-to-iron ratios in stabilizing DNICs.

  8. Pairwise velocities of dark matter haloes: a test for the Λ cold dark matter model using the bullet cluster

    NASA Astrophysics Data System (ADS)

    Thompson, Robert; Nagamine, Kentaro

    2012-02-01

    The existence of a bullet cluster (such as 1E 0657-56) poses a challenge to the concordance Λ cold dark matter (ΛCDM) model. Here we investigate the velocity distribution of dark matter (DM) halo pairs in large N-body simulations with differing box sizes (250 h-1 Mpc? Gpc) and resolutions. We examine various basic statistics such as the halo masses, pairwise halo velocities (v12), collisional angles and pair separation distances. We then compare our results to the initial conditions required to reproduce the observational properties of 1E 0657-56 in non-cosmological hydrodynamical simulations. We find that the high-velocity tail of the v12 distribution extends to greater velocities as we increase the simulation box size. We also find that the number of high v12 pairs increases as we increase the particle count and resolution with a fixed box size; however, this increase is mostly due to lower mass haloes which do not match the observed masses of 1E 0657-56. We find that the redshift evolution effect is not very strong for the v12 distribution function between z= 0.0 and z˜ 0.5. We identify some pairs whose v12 resemble the required initial conditions, however, even the best candidates have either wrong halo mass ratios or too large separations. Our simulations suggest that it is very difficult to produce such initial conditions at z= 0.0, 0.296 and 0.489 in comoving volumes as large as (2 h-1 Gpc)3. Based on the extrapolation of our cumulative v12 function, we find that one needs a simulation with a comoving box size of (4.48 h-1 Gpc)3 and 22403 DM particles in order to produce at least one pair of haloes that resembles the required v12 and observed masses of 1E 0657-56. From our simulated v12 probability distribution function, we find that the probability of finding a halo pair with v12≥ 3000 km s-1 and masses ? to be 2.76 × 10-8 at z= 0.489. We conclude that either 1E 0657-56 is incompatible with the concordance ΛCDM universe or the initial conditions

  9. Reactions of metal ions and their clusters in the gas phase using laser ionization: Fourier transform mass spectrometry

    SciTech Connect

    Freiser, B.S.

    1992-11-01

    This report focuses on three areas we have made substantial new progress in over the past several months: (1) Infrared multiphoton photoinduced ion molecule reactions; (2) The use of SF[sub 6] to detect excited state metal ion behavior; and (3) Cluster ion chemistry.

  10. NASA Ares I Launch Vehicle Upper Stage Reaction Control System (ReCS) Cold Flow Development Test Overview

    NASA Technical Reports Server (NTRS)

    Dervan, Melanie; Williams, Hunter; Holt, Kim; Sivak, Amy; Morris, Jon D.

    2010-01-01

    NASA s Ares I launch vehicle, consisting of a five segment solid rocket booster first stage and a liquid bi-propellant J2-X engine Upper Stage, is the vehicle that s been chosen to launch the Orion Crew Module, which will return humans to the Moon, Mars, and beyond. After First Stage booster separation, the Reaction Control System (ReCS), a monopropellant hydrazine system, will provide the Upper Stage element with three degrees of freedom control as needed. This paper provides an overview of the system level development testing that has taken place on the Ares I launch vehicle Upper Stage ReCS. The ReCS System Development Test Article (SDTA) was built as a flight representative water flow test article whose primary test objective was to obtain fluid system performance data to evaluate the integrate system performance characteristics and verify analytical models. Water is the industry standard for cold flow testing of hydrazine systems, because the densities are very close and the speeds of sound are well characterized. The completion of this development level test program was considered necessary to support the ReCS Critical Design Review. This paper will address the design approach taken in building the test article, the objectives of the test program, types of testing completed, general results, the ability of the program to meet the test objectives, and lessons learned

  11. Clustering effects in 48Cr composite nuclei produced via the 24Mg+24Mg reaction

    NASA Astrophysics Data System (ADS)

    Di Nitto, A.; Vardaci, E.; Brondi, A.; La Rana, G.; Cinausero, M.; Gelli, N.; Moro, R.; Nadtochy, P. N.; Prete, G.; Vanzanella, A.

    2016-04-01

    The nuclear properties of 48Cr composite α -like nuclei produced at 60 MeV of excitation energy via the 24Mg+24Mg reaction were investigated. This excitation energy corresponds to a resonance with a narrow width (170 keV) observed in the elastic and inelastic channels, which was interpreted as a highly deformed state. To gain insight on the deformation of this state exclusive measurements of light charged particles were carried out with 8 π LP apparatus at Laboratori Nazionali di Legnaro and compared to statistical model predictions. The measured of α -particle energy spectra, α -evaporation residues, α -α , and α -α -α correlations indicate the limitation of the rotating liquid drop model in describing the nuclear shape of the compound nucleus along the decay cascade. To reproduce the full set of experimental data very elongated nuclear shapes had to be considered, with an axis ratio 3 :1 at the resonance angular momentum. This large deformation is consistent with previous findings for α -like nuclei and with the predictions of the cranked cluster model.

  12. Local traps as nanoscale reaction-diffusion probes: B clustering in c-Si

    SciTech Connect

    Pawlak, B. J.; Cowern, N. E. B.; Ahn, C.; Vandervorst, W.; Gwilliam, R.; Berkum, J. G. M. van

    2014-12-01

    A series of B implantation experiments into initially amorphized and not fully recrystallized Si, i.e., into an existing a/c-Si bi-layer material, have been conducted. We varied B dose, energy, and temperature during implantation process itself. Significant B migration has been observed within c-Si part near the a/c-interface and near the end-of-range region before any activation annealing. We propose a general concept of local trapping sites as experimental probes of nanoscale reaction-diffusion processes. Here, the a/c-Si interface acts as a trap, and the process itself is explored as the migration and clustering of mobile BI point defects in nearby c-Si during implantation at temperatures from 77 to 573 K. We find that at room temperature—even at B concentrations as high as 1.6 atomic %, the key B-B pairing step requires diffusion lengths of several nm owing to a small, ∼0.1 eV, pairing energy barrier. Thus, in nanostructures doped by ion implantation, the implant distribution can be strongly influenced by thermal migration to nearby impurities, defects, and interfaces.

  13. Oxygen reduction reaction on Cu-doped Ag cluster for fuel-cell cathode.

    PubMed

    Ma, Wenqiang; Chen, Fuyi; Zhang, Nan; Wu, Xiaoqiang

    2014-10-01

    The development of fuel cells as clean-energy technologies is largely limited by the prohibitive cost of the noble-metal catalysts needed for catalyzing the oxygen reduction reaction (ORR) in fuel cells. A fundamental understanding of catalyst design principle that links material structures to the catalytic activity can accelerate the search for highly active and abundant bimetallic catalysts to replace platinum. Here, we present a first-principles study of ORR on Ag12Cu cluster in alkaline environment. The adsorptions of O2, OOH, and OH on Cu-doped Ag13 are stronger than on Ag13. The d-band centers of adsorption sites show the Cu-doping makes d-electrons transferred to higher energy state, and improves O2 dissociation. ORR processes on Ag12Cu and Ag13 indicate Cu-doping can strongly promote ORR, and ORR process can be better preformed on Ag12Cu than on Ag13. For four-electron transfer, the effective reversible potential is 0.401 V/RHE on Ag12Cu in alkaline medium. PMID:25227449

  14. Large odd-numbered carbon clusters from fullerene-ozone reactions. (Reannouncement with new availability information). Technical report

    SciTech Connect

    McElvany, S.W.; Callahan, J.H.; Ross, M.M.; Lamb, L.D.; Huffman, D.R.

    1993-06-11

    The odd-numbered carbon clusters C119, C129 and C139 have been observed in the mass spectra of toluene extracts of fullerene soots and of the products of ozone-fullerene reactions. Specifically, ozone-C60 reactions yield C119, and ozone-C70 reactions yield C139, and ozone-(C60/C70) reactions produce C119, C129, and C139. These unexpected species correspond to dimers of C60, C60/C70, and C70, respectively, less one carbon atom, and are stable gas-phase ions with behavior similar to that of fullerenes. The results suggest a new route to functionalization and derivatization of fullerenes through controlled ozone-catalyzed cage-opening reactions.

  15. Towards gauge-independent treatment of radiative capture in nuclear reactions: Applications to low-energy cluster-cluster collisions

    NASA Astrophysics Data System (ADS)

    Shebeko, A. V.

    2014-04-01

    Our departure point in describing electromagnetic (EM) interactions with nuclei (in general, bound systems of charged particles) is to use the Fock-Weyl criterion and a generalization of the Siegert theorem. It is shown how one can meet the gauge invariance principle (GIP) in all orders in the charge and construct the corresponding EM interaction operators in case of nuclear forces arbitrarily dependent on velocity. Along the guideline we have derived the conserved current density operator for a dicluster system (more precisely, the system of two finite-size clusters with many-body interaction effects included). In the context, we are addressing the current clusterization as a first step when accounting for possible cluster excitations. Being expressed through the electric and magnetic field strengths and matrix elements of the so-called generalized electric and magnetic dipole moments of the system, associated with the conserved current, the single-photon transition amplitude attains a manifestly gauge-independent (GI) form. The latter is essentially simplified at low energies.

  16. Mechanism for the stabilization of protein clusters above the solubility curve: the role of non-ideal chemical reactions.

    PubMed

    Lutsko, J F

    2016-06-22

    Dense protein clusters are known to play an important role in nucleation of protein crystals from dilute solutions. While these have generally been thought to be formed from a metastable phase, the observation of similar, if not identical, clusters above the critical point for the dilute-solution/strong-solution phase transition has thrown this into doubt. Furthermore, the observed clusters are stable for relatively long times. Because protein aggregation plays a central role in some pathologies, understanding the nature of such clusters is an important problem. One mechanism for the stabilization of such structures was proposed by Pan, Vekilov and Lubchenko and was investigated using a dynamical density functional theory model which confirmed the viability of the model. Here, we revisit that model and incorporate additional physics in the form of state-dependent reaction rates. We show by a combination of numerical results and general arguments that the state-dependent rates disrupt the stability mechanism. Finally, we argue that the state-dependent reactions correct unphysical aspects of the model with ideal (state-independent) reactions and that this necessarily leads to the failure of the proposed mechanism.

  17. Mechanism for the stabilization of protein clusters above the solubility curve: the role of non-ideal chemical reactions

    NASA Astrophysics Data System (ADS)

    Lutsko, J. F.

    2016-06-01

    Dense protein clusters are known to play an important role in nucleation of protein crystals from dilute solutions. While these have generally been thought to be formed from a metastable phase, the observation of similar, if not identical, clusters above the critical point for the dilute-solution/strong-solution phase transition has thrown this into doubt. Furthermore, the observed clusters are stable for relatively long times. Because protein aggregation plays a central role in some pathologies, understanding the nature of such clusters is an important problem. One mechanism for the stabilization of such structures was proposed by Pan, Vekilov and Lubchenko and was investigated using a dynamical density functional theory model which confirmed the viability of the model. Here, we revisit that model and incorporate additional physics in the form of state-dependent reaction rates. We show by a combination of numerical results and general arguments that the state-dependent rates disrupt the stability mechanism. Finally, we argue that the state-dependent reactions correct unphysical aspects of the model with ideal (state-independent) reactions and that this necessarily leads to the failure of the proposed mechanism.

  18. Condensed Matter Cluster Reactions in LENR Power Cells for a Radical New Type of Space Power Source

    NASA Astrophysics Data System (ADS)

    Yang, Xiaoling; Miley, George H.; Hora, Heinz

    2009-03-01

    This paper reviews previous theoretical and experimental study on the possibility of nuclear events in multilayer thin film electrodes (Lipson et al., 2004 and 2005; Miley et al., 2007), including the correlation between excess heat and transmutations (Miley and Shrestha, 2003) and the cluster theory that predicts it. As a result of this added understanding of cluster reactions, a new class of electrodes is under development at the University of Illinois. These electrodes are designed to enhance cluster formation and subsequent reactions. Two approaches are under development. The first employs improved loading-unloading techniques, intending to obtain a higher volumetric density of sites favoring cluster formation. The second is designed to create nanostructures on the electrode where the cluster state is formed by electroless deposition of palladium on nickel micro structures. Power units employing these electrodes should offer unique advantages for space applications. This is a fundamental new nuclear energy source that is environmentally compatible with a minimum of radiation involvement, high specific power, very long lifetime, and scalable from micro power to kilowatts.

  19. Condensed Matter Cluster Reactions in LENR Power Cells for a Radical New Type of Space Power Source

    SciTech Connect

    Yang Xiaoling; Miley, George H.; Hora, Heinz

    2009-03-16

    This paper reviews previous theoretical and experimental study on the possibility of nuclear events in multilayer thin film electrodes (Lipson et al., 2004 and 2005; Miley et al., 2007), including the correlation between excess heat and transmutations (Miley and Shrestha, 2003) and the cluster theory that predicts it. As a result of this added understanding of cluster reactions, a new class of electrodes is under development at the University of Illinois. These electrodes are designed to enhance cluster formation and subsequent reactions. Two approaches are under development. The first employs improved loading-unloading techniques, intending to obtain a higher volumetric density of sites favoring cluster formation. The second is designed to create nanostructures on the electrode where the cluster state is formed by electroless deposition of palladium on nickel micro structures. Power units employing these electrodes should offer unique advantages for space applications. This is a fundamental new nuclear energy source that is environmentally compatible with a minimum of radiation involvement, high specific power, very long lifetime, and scalable from micro power to kilowatts.

  20. Iron-sulfur cluster exchange reactions mediated by the human Nfu protein.

    PubMed

    Wachnowsky, Christine; Fidai, Insiya; Cowan, J A

    2016-10-01

    Human Nfu is an iron-sulfur cluster protein that has recently been implicated in multiple mitochondrial dysfunctional syndrome (MMDS1). The Nfu family of proteins shares a highly homologous domain that contains a conserved active site consisting of a CXXC motif. There is less functional conservation between bacterial and human Nfu proteins, particularly concerning their Iron-sulfur cluster binding and transfer roles. Herein, we characterize the cluster exchange chemistry of human Nfu and its capacity to bind and transfer a [2Fe-2S] cluster. The mechanism of cluster uptake from a physiologically relevant [2Fe-2S](GS)4 cluster complex, and extraction of the Nfu-bound iron-sulfur cluster by glutathione are described. Human holo Nfu shows a dimer-tetramer equilibrium with a protein to cluster ratio of 2:1, reflecting the Nfu-bridging [2Fe-2S] cluster. This cluster can be transferred to apo human ferredoxins at relatively fast rates, demonstrating a direct role for human Nfu in the process of [2Fe-2S] cluster trafficking and delivery. PMID:27538573

  1. Iron-sulfur cluster exchange reactions mediated by the human Nfu protein.

    PubMed

    Wachnowsky, Christine; Fidai, Insiya; Cowan, J A

    2016-10-01

    Human Nfu is an iron-sulfur cluster protein that has recently been implicated in multiple mitochondrial dysfunctional syndrome (MMDS1). The Nfu family of proteins shares a highly homologous domain that contains a conserved active site consisting of a CXXC motif. There is less functional conservation between bacterial and human Nfu proteins, particularly concerning their Iron-sulfur cluster binding and transfer roles. Herein, we characterize the cluster exchange chemistry of human Nfu and its capacity to bind and transfer a [2Fe-2S] cluster. The mechanism of cluster uptake from a physiologically relevant [2Fe-2S](GS)4 cluster complex, and extraction of the Nfu-bound iron-sulfur cluster by glutathione are described. Human holo Nfu shows a dimer-tetramer equilibrium with a protein to cluster ratio of 2:1, reflecting the Nfu-bridging [2Fe-2S] cluster. This cluster can be transferred to apo human ferredoxins at relatively fast rates, demonstrating a direct role for human Nfu in the process of [2Fe-2S] cluster trafficking and delivery.

  2. Processing near gamma-based titanium-aluminum by cold roll bonding and diffusion reaction of elemental titanium and aluminum foils

    NASA Astrophysics Data System (ADS)

    Luo, Jian-Guo

    Near gamma-based TiAl alloys were successfully processed using a method developed in this study. This technique coupled cold roll bonding of elemental foils of Ti and Al with diffusion reactions. The processing method was cyclic in nature in that the foils were repeatedly cold rolled, diffusion reacted, cold rolled, diffusion reacted, etc. This processing cycle was repeated numerous times and the microstructures formed after 1--100 cycles were characterized using optical microscopy, scanning electron microscopy (SEM) equipped with energy dispersive spectroscopy, microhardness testing, x-ray diffraction (XRD), and differential thermal analysis (DTA). The effects of cold roll bonding, annealing temperature, annealing time, and number of cycles on the microstructure and microhardness of the gamma-TiAl alloys produced have been investigated. The near gamma-based TiAl alloy that was developed by the cold roll bonding/diffusion annealing process was then subjected to a subsequent thermal treatment that promotes the solid-state phase transformation of the lamellar structure (alternating platelets of alpha2 and gamma). A comparison of the near gamma-based structure to the lamellar structure was also performed. Finally, the processing method developed in the present study was compared to other processing methods that are currently used for processing gamma-based TiAl alloys.

  3. A Study of the Cold Gas and Stellar Populations of the Antlia Cluster with KAT-7 and WISE

    NASA Astrophysics Data System (ADS)

    Hess, Kelley; Carignan, C.; Jarrett, T.; Goedhart, S.; Passmoor, S. S.; Wilcots, E. M.

    2014-01-01

    We present neutral hydrogen (HI) observations of the Antlia Galaxy Cluster from the Karoo Array Telescope (KAT-7), a MeerKAT/SKA pathfinder array in South Africa, and describe some of the data reduction challenges overcome by the science commissioning team. Antlia is the third most nearby, massive galaxy cluster, yet it is poorly studied because it lies at low Galactic latitude (l=+19'○) in the Southern hemisphere. We combine the KAT-7 HI data with WISE infrared observations to study the gaseous and stellar components of the galaxy population of this dynamically young system. The velocity information from KAT-7 allows us to confirm gas rich cluster members that lack optical spectroscopic redshifts. Antlia is an ideal target for KAT-7 spectral line commissioning because the recessional velocity of cluster members is not confused with Galactic hydrogen, and the telescope resolution is such that we recover the full HI flux of galaxies, while not suffering from source confusion. The WISE observations cut through Galactic extinction to provide a more complete census of cluster member candidates. Blind HI observations have shown that the presence of gas rich objects around the dense environments of clusters and massive groups is an excellent tracer of substructure, highlighting filaments where galaxies are being accreted within the dark matter halo. With two distinct concentrations of galaxies centered on each of two large elliptical galaxies, the cluster is likely still in the process of merging, making it an interesting target for environmentally driven galaxy evolution studies.

  4. The Impact of ISM Turbulence, Clustered Star Formation and Feedback on Galaxy Mass Assembly through Cold Flows and Mergers

    NASA Astrophysics Data System (ADS)

    Powell, Leila C.; Bournaud, Frederic; Chapon, Damien; Devriendt, Julien; Slyz, Adrianne; Teyssier, Romain

    2011-12-01

    Two of the dominant channels for galaxy mass assembly are cold flows (cold gas supplied via the filaments of the cosmic web) and mergers. How these processes combine in a cosmological setting, at both low and high redshift, to produce the whole zoo of galaxies we observe is largely unknown. Indeed there is still much to understand about the detailed physics of each process in isolation. While these formation channels have been studied using hydrodynamical simulations, here we study their impact on gas properties and star formation (SF) with some of the first from simulations that capture the multiphase, cloudy nature of the interstellar medium (ISM), by virtue of their high spatial resolution (and corresponding low temperature threshold). In this regime, we examine the competition between cold flows and a supernovae(SNe)-driven outflow in a very high-redshift galaxy (z ~ 9) and study the evolution of equal-mass galaxy mergers at low and high redshift, focusing on the induced SF. We find that SNe-driven outflows cannot reduce the cold accretion at z ~ 9 and that SF is actually enhanced due to the ensuing metal enrichment. We demonstrate how several recent observational results on galaxy populations (e.g. enhanced HCN/CO ratios in ULIRGs, a separate Kennicutt Schmidt (KS) sequence for starbursts and the population of compact early type galaxies (ETGs) at high redshift) can be explained with mechanisms captured in galaxy merger simulations, provided that the multiphase nature of the ISM is resolved.

  5. Iron-sulfur clusters as biological sensors: the chemistry of reactions with molecular oxygen and nitric oxide.

    PubMed

    Crack, Jason C; Green, Jeffrey; Thomson, Andrew J; Le Brun, Nick E

    2014-10-21

    recognized. This remarkable feature suggested that the original [4Fe-4S] cluster can be restored using persulfide as the source of sulfide ion. We have demonstrated that only iron and a source of electrons are required to promote efficient conversion back from the [2Fe-2S] to the [4Fe-4S] form. We propose this as a novel in vivo repair mechanism that does not require the intervention of an iron-sulfur cluster biogenesis pathway. A number of iron-sulfur regulators have evolved to function as sensors of NO. Although it has long been known that the iron-sulfur clusters of many phylogenetically unrelated proteins are vulnerable to attack by NO, our recent studies of Wbl proteins and FNR have provided new insights into the mechanism of cluster nitrosylation, which overturn the commonly accepted view that the product is solely a mononuclear iron dinitrosyl complex (known as a DNIC). The major reaction is a rapid, multiphase process involving stepwise addition of up to eight NO molecules per [4Fe-4S] cluster. The major iron nitrosyl product is EPR silent and has optical characteristics similar to Roussin's red ester, [Fe2(NO)4(RS)2] (RRE), although a species similar to Roussin's black salt, [Fe4(NO)7(S)3](-) (RBS) cannot be ruled out. A major future challenge will be to clarify the nature of these species.

  6. Hot versus cold: The dichotomy in spherical accretion of cooling flows onto supermassive black holes in elliptical galaxies, galaxy groups, and clusters

    SciTech Connect

    Guo, Fulai; Mathews, William G.

    2014-01-10

    Feedback heating from active galactic nuclei (AGNs) has been commonly invoked to suppress cooling flows predicted in hot gas in elliptical galaxies, galaxy groups, and clusters. Previous studies have focused on if and how AGN feedback heats the gas but have little paid attention to its triggering mechanism. Using spherically symmetric simulations, we investigate how large-scale cooling flows are accreted by central supermassive black holes (SMBHs) in eight well-observed systems and find an interesting dichotomy. In massive clusters, the gas develops a central cooling catastrophe within about the cooling time (typically ∼100-300 Myr), resulting in cold-mode accretion onto SMBHs. However, in our four simulated systems on group and galaxy scales at a low metallicity Z = 0.3 Z {sub ☉}, the gas quickly settles into a long-term state that has a cuspy central temperature profile extending to several tens to about 100 pc. At the more realistic solar metallicity, two groups (with R {sub e} ∼ 4 kpc) still host the long-term, hot-mode accretion. Both accretion modes naturally appear in our idealized calculations where only cooling, gas inflow, and compressional heating are considered. The long-term, hot-mode accretion is maintained by the quickly established closeness between the timescales of these processes, preferably in systems with low gas densities, low gas metallicities, and importantly, compact central galaxies, which result in strong gravitational acceleration and compressional heating at the intermediate radii. Our calculations predict that central cuspy temperature profiles appear more often in smaller systems than galaxy clusters, which instead often host significant cold gas and star formation.

  7. KELVIN-HELMHOLTZ INSTABILITIES AT THE SLOSHING COLD FRONTS IN THE VIRGO CLUSTER AS A MEASURE FOR THE EFFECTIVE INTRACLUSTER MEDIUM VISCOSITY

    SciTech Connect

    Roediger, E.; Kraft, R. P.; Forman, W. R.; Nulsen, P. E. J.

    2013-02-10

    Sloshing cold fronts (CFs) arise from minor merger triggered gas sloshing. Their detailed structure depends on the properties of the intracluster medium (ICM): hydrodynamical simulations predict the CFs to be distorted by Kelvin-Helmholtz instabilities (KHIs), but aligned magnetic fields, viscosity, or thermal conduction can suppress the KHIs. Thus, observing the detailed structure of sloshing CFs can be used to constrain these ICM properties. Both smooth and distorted sloshing CFs have been observed, indicating that the KHI is suppressed in some clusters, but not in all. Consequently, we need to address at least some sloshing clusters individually before drawing general conclusions about the ICM properties. We present the first detailed attempt to constrain the ICM properties in a specific cluster from the structure of its sloshing CF. Proximity and brightness make the Virgo Cluster an ideal target. We combine observations and Virgo-specific hydrodynamical sloshing simulations. Here, we focus on a Spitzer-like temperature-dependent viscosity as a mechanism to suppress the KHI, but discuss the alternative mechanisms in detail. We identify the CF at 90 kpc north and northeast of the Virgo center as the best location in the cluster to observe a possible KHI suppression. For viscosities {approx}> 10% of the Spitzer value KHIs at this CF are suppressed. We describe in detail the observable signatures at low and high viscosities, i.e., in the presence or the absence of KHIs. We find indications for a low ICM viscosity in archival XMM-Newton data and demonstrate the detectability of the predicted features in deep Chandra observations.

  8. X-ray clusters in a cold dark matter + lambda universe: A direct, large-scale, high-resolution, hydrodynamic simulation

    NASA Technical Reports Server (NTRS)

    Cen, Renyue; Ostriker, Jeremiah P.

    1994-01-01

    A new, three-dimensional, shock-capturing, hydrodynamic code is utilized to determine the distribution of hot gas in a cold dark matter (CDM) + lambda model universe. Periodic boundary conditions are assumed: a box with size 85/h Mpc, having cell size 0.31/h Mpc, is followed in a simulation with 270(exp 3) = 10(exp 7.3) cells. We adopt omega = 0.45, lambda = 0.55, h identically equal to H/100 km/s/Mpc = 0.6, and then, from the cosmic background explorer (COBE) and light element nucleosynthesis, sigma(sub 8) = 0.77, omega(sub b) = 0.043. We identify the X-ray emitting clusters in the simulation box, compute the luminosity function at several wavelength bands, the temperature function and estimated sizes, as well as the evolution of these quantities with redshift. This open model succeeds in matching local observations of clusters in contrast to the standard omega = 1, CDM model, which fails. It predicts an order of magnitude decline in the number density of bright (h nu = 2-10 keV) clusters from z = 0 to z = 2 in contrast to a slight increase in the number density for standard omega = 1, CDM model. This COBE-normalized CDM + lambda model produces approximately the same number of X-ray clusters having L(sub x) greater than 10(exp 43) erg/s as observed. The background radiation field at 1 keV due to clusters is approximately the observed background which, after correction for numerical effects, again indicates that the model is consistent with observations.

  9. Understanding Ligand-Exchange Reactions on Thiolate-Protected Gold Clusters by Probing Isomer Distributions Using Reversed-Phase High-Performance Liquid Chromatography.

    PubMed

    Niihori, Yoshiki; Kikuchi, Yoshihiro; Kato, Ayano; Matsuzaki, Miku; Negishi, Yuichi

    2015-09-22

    Thiolate-protected gold clusters (Aun(SR)m) have attracted considerable attention as functional nanomaterials in a wide range of fields. A ligand-exchange reaction has long been used to functionalize these clusters. In this study, we separated products from a ligand-exchange reaction of phenylethanethiolate-protected Au24Pd clusters (Au24Pd(SC2H4Ph)18), in which Au25(SR)18 is doped with palladium, into each coordination isomer with high resolution by reversed-phase high-performance liquid chromatography. This success has enabled isomer distributions of the products to be quantitatively evaluated. We evaluated quantitatively the isomer distributions of products obtained by the reaction of Au24Pd(SC2H4Ph)18 with thiol, disulfide, or diselenide. The results revealed that the exchange reaction starts to occur preferentially at thiolates that are bound directly to the metal core (thiolates of a core site) in all reactions. Further study on the isomer-separated Au24Pd(SC2H4Ph)17(SC12H25) revealed that clusters vary the coordination isomer distribution in solution by the ligand-exchange reaction between clusters and that control of the coordination isomer distribution of the starting clusters enables control of the coordination isomer distribution of the products generated by ligand-exchange reactions between clusters. Au24Pd(SC2H4Ph)18 used in this study has a similar framework structure to Au25(SR)18, which is one of the most studied compounds in the Aun(SR)m clusters. Knowledge gained in this study is expected to enable further understanding of ligand-exchange reactions on Au25(SR)18 and other Aun(SR)m clusters.

  10. The State of the Warm and Cold Gas in the Extreme Starburst at the Core of the Phoenix Galaxy Cluster (SPT-CLJ2344-4243)

    NASA Astrophysics Data System (ADS)

    McDonald, Michael; Swinbank, Mark; Edge, Alastair C.; Wilner, David J.; Veilleux, Sylvain; Benson, Bradford A.; Hogan, Michael T.; Marrone, Daniel P.; McNamara, Brian R.; Wei, Lisa H.; Bayliss, Matthew B.; Bautz, Marshall W.

    2014-03-01

    We present new optical integral field spectroscopy (Gemini South) and submillimeter spectroscopy (Submillimeter Array) of the central galaxy in the Phoenix cluster (SPT-CLJ2344-4243). This cluster was previously reported to have a massive starburst (~800 M ⊙ yr-1) in the central, brightest cluster galaxy, most likely fueled by the rapidly cooling intracluster medium. These new data reveal a complex emission-line nebula, extending for >30 kpc from the central galaxy, detected at [O II]λλ3726, 3729, [O III]λλ4959, 5007, Hβ, Hγ, Hδ, [Ne III]λ3869, and He II λ4686. The total Hα luminosity, assuming Hα/Hβ = 2.85, is L Hα = 7.6 ± 0.4 ×1043 erg s-1, making this the most luminous emission-line nebula detected in the center of a cool core cluster. Overall, the relative fluxes of the low-ionization lines (e.g., [O II], Hβ) to the UV continuum are consistent with photoionization by young stars. In both the center of the galaxy and in a newly discovered highly ionized plume to the north of the galaxy, the ionization ratios are consistent with both shocks and active galactic nucleus (AGN) photoionization. We speculate that this extended plume may be a galactic wind, driven and partially photoionized by both the starburst and central AGN. Throughout the cluster we measure elevated high-ionization line ratios (e.g., He II/Hβ, [O III]/Hβ), coupled with an overall high-velocity width (FWHM gsim 500 km s-1), suggesting that shocks are likely important throughout the interstellar medium of the central galaxy. These shocks are most likely driven by a combination of stellar winds from massive young stars, core-collapse supernovae, and the central AGN. In addition to the warm, ionized gas, we detect a substantial amount of cold, molecular gas via the CO(3-2) transition, coincident in position with the galaxy center. We infer a molecular gas mass of M_{H_2} = 2.2 ± 0.6 × 1010 M ⊙, which implies that the starburst will consume its fuel in ~30 Myr if it is not

  11. The state of the warm and cold gas in the extreme starburst at the core of the Phoenix galaxy cluster (SPT-CLJ2344-4243)

    SciTech Connect

    McDonald, Michael; Bautz, Marshall W.; Swinbank, Mark; Edge, Alastair C.; Hogan, Michael T.; Wilner, David J.; Bayliss, Matthew B.; Veilleux, Sylvain; Benson, Bradford A.; Marrone, Daniel P.; McNamara, Brian R.; Wei, Lisa H.

    2014-03-20

    We present new optical integral field spectroscopy (Gemini South) and submillimeter spectroscopy (Submillimeter Array) of the central galaxy in the Phoenix cluster (SPT-CLJ2344-4243). This cluster was previously reported to have a massive starburst (∼800 M {sub ☉} yr{sup –1}) in the central, brightest cluster galaxy, most likely fueled by the rapidly cooling intracluster medium. These new data reveal a complex emission-line nebula, extending for >30 kpc from the central galaxy, detected at [O II]λλ3726, 3729, [O III]λλ4959, 5007, Hβ, Hγ, Hδ, [Ne III]λ3869, and He II λ4686. The total Hα luminosity, assuming Hα/Hβ = 2.85, is L {sub Hα} = 7.6 ± 0.4 ×10{sup 43} erg s{sup –1}, making this the most luminous emission-line nebula detected in the center of a cool core cluster. Overall, the relative fluxes of the low-ionization lines (e.g., [O II], Hβ) to the UV continuum are consistent with photoionization by young stars. In both the center of the galaxy and in a newly discovered highly ionized plume to the north of the galaxy, the ionization ratios are consistent with both shocks and active galactic nucleus (AGN) photoionization. We speculate that this extended plume may be a galactic wind, driven and partially photoionized by both the starburst and central AGN. Throughout the cluster we measure elevated high-ionization line ratios (e.g., He II/Hβ, [O III]/Hβ), coupled with an overall high-velocity width (FWHM ≳ 500 km s{sup –1}), suggesting that shocks are likely important throughout the interstellar medium of the central galaxy. These shocks are most likely driven by a combination of stellar winds from massive young stars, core-collapse supernovae, and the central AGN. In addition to the warm, ionized gas, we detect a substantial amount of cold, molecular gas via the CO(3-2) transition, coincident in position with the galaxy center. We infer a molecular gas mass of M{sub H{sub 2}} = 2.2 ± 0.6 × 10{sup 10} M {sub ☉}, which implies that

  12. Probing the Statistical Decay and α-clustering effects in 12C + 12C and 14N + 10B reactions

    NASA Astrophysics Data System (ADS)

    Morelli, L.; Baiocco, G.; D'Agostino, M.; Bruno, M.; Gulminelli, F.; Cinausero, M.; Degerlier, M.; Fabris, D.; Gramegna, F.; Marchi, T.; Barlini, S.; Bini, M.; Casini, G.; Gelli, N.; Lopez, A.; Pasquali, G.; Piantelli, S.; Valdrè, S.

    2014-03-01

    An experimental campaign has been undertaken at Laboratori Nazionali di Legnaro (LNL INFN), Italy, in order to progress in our understanding of the statistical properties of light nuclei at excitation energies above particle emission threshold, by measuring exclusive data from fusion-evaporation reactions. On the experimental side, a first reaction: 12C+12C at 95 MeV beam energy has been measured, using the GARFIELD + Ring Counter (RCo) apparatuses. Fusion-evaporation events have been exclusively selected out of the entire data set. The comparison to a dedicated Hauser-Feshbach calculation allows us to give constraints on the nuclear level density at high excitation energy for light systems ranging from C up to Mg. Out-of-equilibrium aα emission has been evidenced and attributed both to an entrance channel effect (favoured by the cluster nature of reaction partners), and, in more dissipative events, to the persistence of cluster correlations well above the 24Mg threshold for 6 α's decay. In order to study the same 24Mg compound nucleus at similar excitation energy with respect to this first reaction a new measurement, 14N + 10B at 5.7 A.MeV, was performed at LNL laboratories with the same experimental setup. The comparison between the two systems would allow us to further constrain the level density of light nuclei in the mass-excitation energy range of interest. In this perspective, deviations from a statistical behaviour can be used as a tool to get information on nuclear clustering, both in the ground-state for projectile and target and in the hot source formed in the collision.

  13. Reaction between HN and SN: a possible channel for the interstellar formation of N2 and SH in the cold interstellar clouds.

    PubMed

    Bhasi, Priya; Nhlabatsi, Zanele P; Sitha, Sanyasi

    2015-12-28

    Using computational calculations the potential energy surface (PES) of the reaction between NH and NS has been analysed. The PES of the reaction shows the formation of two very stable species, HNSN and HNNS. Out of these two, HNNS which has the signature N-N linkage was found to be the most stable species in the PES. In view of the highly exothermic nature of the reaction surface, it has been proposed that these two species can possibly be detected in the interstellar space. For the first time it has also been shown that the reaction between the NH and NS can lead to the possible formation of N2via the isomer HNNS, and how the effect of tunnelling can make this reaction very much feasible, even under the extremely low temperature conditions prevailing in the interstellar medium. Based on the already reported results, a similar kind of behaviour for the NH + NO reaction surface has also been proposed. These dissociation reactions leading to the formation of N2 can be considered as potential secondary contributing channels while accounting for the total estimates of N2 in the interstellar medium, and thus HNNS as well as HNNO can be considered as stable reservoir molecules for interstellar N2. Besides the formation of N2, the formation of another astronomically important radical, SH in the cold interstellar clouds, has also been proposed.

  14. Two reaction regimes in the oxidation of larger cationic tantalum clusters (Tan(+), n = 13-40) under multi-collision conditions.

    PubMed

    Neuwirth, D; Eckhard, J F; Visser, B R; Tschurl, M; Heiz, U

    2016-03-21

    The reaction of cationic tantalum clusters (Tan(+), n = 13-40) with molecular oxygen is studied under multi-collision conditions and at different temperatures. Consecutive reaction proceeds in several steps upon subsequent attachment of O2. All cluster sizes exhibit fast reaction with oxygen and form a characteristic final reaction product. The time-dependent product analysis enables the fitting to a kinetic model with the extraction of all the rate constants. Determined rate constants reveal the existence of two different regimes, which are interpreted as a change in the reaction mechanism. Based on the temperature-dependent reaction behavior, it is proposed that the reaction changes from a dissociative to a molecular adsorption of oxygen on the clusters. It is found that both regimes appear for all cluster sizes, but the transition takes place at different intermediate oxides TanOx(+). In general it is observed that transition occurs later for larger clusters, which is attributed to an increased cluster surface. PMID:26924176

  15. Computational studies of atmospherically-relevant chemical reactions in water clusters and on liquid water and ice surfaces.

    PubMed

    Gerber, R Benny; Varner, Mychel E; Hammerich, Audrey D; Riikonen, Sampsa; Murdachaew, Garold; Shemesh, Dorit; Finlayson-Pitts, Barbara J

    2015-02-17

    CONSPECTUS: Reactions on water and ice surfaces and in other aqueous media are ubiquitous in the atmosphere, but the microscopic mechanisms of most of these processes are as yet unknown. This Account examines recent progress in atomistic simulations of such reactions and the insights provided into mechanisms and interpretation of experiments. Illustrative examples are discussed. The main computational approaches employed are classical trajectory simulations using interaction potentials derived from quantum chemical methods. This comprises both ab initio molecular dynamics (AIMD) and semiempirical molecular dynamics (SEMD), the latter referring to semiempirical quantum chemical methods. Presented examples are as follows: (i) Reaction of the (NO(+))(NO3(-)) ion pair with a water cluster to produce the atmospherically important HONO and HNO3. The simulations show that a cluster with four water molecules describes the reaction. This provides a hydrogen-bonding network supporting the transition state. The reaction is triggered by thermal structural fluctuations, and ultrafast changes in atomic partial charges play a key role. This is an example where a reaction in a small cluster can provide a model for a corresponding bulk process. The results support the proposed mechanism for production of HONO by hydrolysis of NO2 (N2O4). (ii) The reactions of gaseous HCl with N2O4 and N2O5 on liquid water surfaces. Ionization of HCl at the water/air interface is followed by nucleophilic attack of Cl(-) on N2O4 or N2O5. Both reactions proceed by an SN2 mechanism. The products are ClNO and ClNO2, precursors of atmospheric atomic chlorine. Because this mechanism cannot result from a cluster too small for HCl ionization, an extended water film model was simulated. The results explain ClNO formation experiments. Predicted ClNO2 formation is less efficient. (iii) Ionization of acids at ice surfaces. No ionization is found on ideal crystalline surfaces, but the process is efficient on

  16. Computational studies of atmospherically-relevant chemical reactions in water clusters and on liquid water and ice surfaces.

    PubMed

    Gerber, R Benny; Varner, Mychel E; Hammerich, Audrey D; Riikonen, Sampsa; Murdachaew, Garold; Shemesh, Dorit; Finlayson-Pitts, Barbara J

    2015-02-17

    CONSPECTUS: Reactions on water and ice surfaces and in other aqueous media are ubiquitous in the atmosphere, but the microscopic mechanisms of most of these processes are as yet unknown. This Account examines recent progress in atomistic simulations of such reactions and the insights provided into mechanisms and interpretation of experiments. Illustrative examples are discussed. The main computational approaches employed are classical trajectory simulations using interaction potentials derived from quantum chemical methods. This comprises both ab initio molecular dynamics (AIMD) and semiempirical molecular dynamics (SEMD), the latter referring to semiempirical quantum chemical methods. Presented examples are as follows: (i) Reaction of the (NO(+))(NO3(-)) ion pair with a water cluster to produce the atmospherically important HONO and HNO3. The simulations show that a cluster with four water molecules describes the reaction. This provides a hydrogen-bonding network supporting the transition state. The reaction is triggered by thermal structural fluctuations, and ultrafast changes in atomic partial charges play a key role. This is an example where a reaction in a small cluster can provide a model for a corresponding bulk process. The results support the proposed mechanism for production of HONO by hydrolysis of NO2 (N2O4). (ii) The reactions of gaseous HCl with N2O4 and N2O5 on liquid water surfaces. Ionization of HCl at the water/air interface is followed by nucleophilic attack of Cl(-) on N2O4 or N2O5. Both reactions proceed by an SN2 mechanism. The products are ClNO and ClNO2, precursors of atmospheric atomic chlorine. Because this mechanism cannot result from a cluster too small for HCl ionization, an extended water film model was simulated. The results explain ClNO formation experiments. Predicted ClNO2 formation is less efficient. (iii) Ionization of acids at ice surfaces. No ionization is found on ideal crystalline surfaces, but the process is efficient on

  17. Assessment of climate change impacts on watershed in cold-arid region: an integrated multi-GCM-based stochastic weather generator and stepwise cluster analysis method

    NASA Astrophysics Data System (ADS)

    Zhuang, X. W.; Li, Y. P.; Huang, G. H.; Liu, J.

    2016-07-01

    An integrated multi-GCM-based stochastic weather generator and stepwise cluster analysis (MGCM-SWG-SCA) method is developed, through incorporating multiple global climate models (MGCM), stochastic weather generator (SWG), and stepwise-clustered hydrological model (SCHM) within a general framework. MGCM-SWG-SCA can investigate uncertainties of projected climate changes as well as create watershed-scale climate projections from large-scale variables. It can also assess climate change impacts on hydrological processes and capture nonlinear relationship between input variables and outputs in watershed systems. MGCM-SWG-SCA is then applied to the Kaidu watershed with cold-arid characteristics in the Xinjiang Uyghur Autonomous Region of northwest China, for demonstrating its efficiency. Results reveal that the variability of streamflow is mainly affected by (1) temperature change during spring, (2) precipitation change during winter, and (3) both temperature and precipitation changes in summer and autumn. Results also disclose that: (1) the projected minimum and maximum temperatures and precipitation from MGCM change with seasons in different ways; (2) various climate change projections can reproduce the seasonal variability of watershed-scale climate series; (3) SCHM can simulate daily streamflow with a satisfactory degree, and a significant increasing trend of streamflow is indicated from future (2015-2035) to validation (2006-2011) periods; (4) the streamflow can vary under different climate change projections. The findings can be explained that, for the Kaidu watershed located in the cold-arid region, glacier melt is mainly related to temperature changes and precipitation changes can directly cause the variability of streamflow.

  18. Laser initiated reactions in N{sub 2}O clusters studied by time-sliced ion velocity imaging technique

    SciTech Connect

    Honma, Kenji

    2013-07-28

    Laser initiated reactions in N{sub 2}O clusters were studied by a time-sliced velocity imaging technique. The N{sub 2}O clusters, (N{sub 2}O){sub n}, generated by supersonic expansion were irradiated by an ultraviolet laser around 204 nm to convert reactant pairs, O({sup 1}D{sub 2})-(N{sub 2}O){sub n−1}. The NO molecules formed from these reactant pairs were ionized by the same laser pulse and their velocity distribution was determined by the time-sliced velocity imaging technique. At low nozzle pressure, lower than 1.5 atm, the speed distribution in the frame moving with the clusters consists of two components. These components were ascribed to the products appeared in the backward and forward directions in the center-of-mass frame, respectively. The former consists of the vibrational ground state and the latter consists of highly vibrational excited states. At higher nozzle pressure, a single broad speed distribution became dominant for the product NO. The pressure and laser power dependences suggested that this component is attributed to the product formed in the clusters larger than dimer, (N{sub 2}O){sub n} (n ≥ 3)

  19. Opening of Carborane Cages by Metal Cluster Complexes: The Reaction of a Thiolate-Substituted Carborane with Triosmium Carbonyl Cluster Complexes.

    PubMed

    Adams, Richard D; Kiprotich, Joseph; Peryshkov, Dmitry V; Wong, Yuen Onn

    2016-08-15

    The reaction of Os3(CO)10(NCMe)2 with closo-o-(1-SCH3)C2B10H11 has yielded the complex Os3(CO)9[μ3-η(3)-C2B10H9(SCH3)](μ-H)2, 1, by the loss of the two NCMe ligands and one CO ligand from the Os3 cluster and the coordination of the sulfur atom and the activation of two B-H bonds with transfer of the hydrogen atoms to the cluster. Reaction of 1 with a second equivalent of Os3(CO)10(NCMe)2 yielded the complex Os3(CO)9(μ-H)[(μ3-η(3)-1,4,5-μ3-η(3)-6,10,11-C2B10H8S(CH3)]Os3(CO)9(μ-H)2, 2, that contains two triosmium triangles attached to the same carborane cage. The carborane cage was opened by cleavage of two B-C bonds and one B-B bond. The B-H group that was pulled out of the cage became a triply bridging group on one of the Os3 triangles but remains bonded to the cage by two B-B bonds. When heated to 150 °C, 2 was transformed into the complex Os3(CO)9(μ-H)[(μ3-η(3)-μ3-η(3)-C2B10H7S(CH3)]Os3(CO)9(μ-H), 3, by the loss of two hydrogen atoms and a rearrangement that led to further opening of the carborane cage. Reaction of 1 with a second equivalent of closo-o-(1-SCH3)C2B10H11 has yielded the complex Os3(CO)6)(μ3-η(3)-C2B10H9-R-SCH3) (μ3-η(3)-C2B10H10-S-SCH3)(μ-H)3, 4a, containing two carborane cages coordinated to one Os3 cluster. Compound 4a was isomerized to the compound Os3(CO)6(μ3-η(3)-C2B10H9-R-SCH3)(μ3-η(3)-C2B10H10-R-SCH3)(μ-H)3, 4b, by an inversion of stereochemistry at one of the sulfur atoms by heating to 174 °C. PMID:27487332

  20. H2S Reactivity on Oxygen-Deficient Heterotrimetallic Cores: Cluster Fluxionality Simulates Dynamic Aspects of Surface Chemical Reactions.

    PubMed

    Adhikari, Debashis; Raghavachari, Krishnan

    2016-01-28

    Understanding the mechanistic aspects of heterogeneous reactions on supported metal catalysts is challenging due to several disparate factors, among which the dynamic nature of the surface is a major contributor. In this study, the dynamic aspect of a surface has been probed by choosing small metal clusters as illustrative models. Two anionic hetero-trimetallic clusters, namely, W2TcO6(-) and W2OsO6(-), were reacted with H2S gas to exhibit splitting of the gas molecule and complete oxygen-sulfur exchange in the metal core. During this atom-exchange process, the core exhibits remarkable fluxionality to augment a thiol proton migration from one metal center to another, as well as a rapid interchange of the terminal and bridging oxygens. The fluxional nature of the core is further evidenced by two oppositely oriented oxo groups working in concert to accomplish the proton transfer, upon introduction of sulfur inside the core. These fluxional processes in the small hetero-trimetallic cores closely resemble the dynamic nature of the surface in a heterogeneous reaction. Throughout the fluxional processes investigated in this study, two-state reactivity and multiple instances of spin crossover are observed in our computational studies. Interestingly, the neutral hetero-trimetallic cores can also undergo complete oxygen-sulfur exchange reaction with H2S. The investigated metal clusters are promising materials, since they not only can liberate dihydrogen from water (reported in J. Phys. Chem. A, 2014, 118, 11047) but also can completely strip the sulfur from environmentally hazardous H2S gas.

  1. Nitrogen oxide reaction with six-atom silver clusters supported on LTA zeolite.

    PubMed

    Baldansuren, Amgalanbaatar; Eichel, Rüdiger-A; Roduner, Emil

    2009-08-21

    Silver containing catalysts were prepared by aqueous ion exchange of Ag(+) against Na(+) in an LTA zeolite. A well-defined paramagnetic cluster consisting of six equivalent silver nuclei was obtained after oxidation and hydrogen reduction. Continuous wave EPR demonstrates that the reduced Ag(6)(+) clusters are isolated and all silver atoms are close to equivalent. Upon addition of NO gas at room temperature, the spectrum of the Ag(6)(+) cluster disappears immediately. A new spectrum has the character of adsorbed NO. Its line is split by hyperfine interaction between the unpaired electron with (14)N of the adsorbed NO, and by the nuclear spin of one Ag nucleus to which NO is bound. The experimental isotropic hyperfine coupling a approximately 11.0 G is too large for being observed in the HYSCORE spectrum, but a small (14)N-hyperfine interaction is observed and assigned to a second nitrogen spin in the vicinity of the silver cluster. In the presence of trace oxygen NO transforms slowly into NO(2), but no further activity was observed at room temperature. The NO(2) molecule exhibits dynamics in the temperature range of 30 to 125 K. The rotational diffusion is axially symmetric about the molecular y axis of the adsorbed NO(2). Above 50 K, it becomes rapidly nearly isotropic. Analysis of the correlation time (tau(c)) derived from the EPR lineshapes provides the kinetic parameters, and an Arrhenius representation gives access to the activation energy for the rotational motion.

  2. Mechanisms of the S/CO/Se interchange reactions at FeMo-co, the active site cluster of nitrogenase.

    PubMed

    Dance, Ian

    2016-09-28

    The active site of the N2 fixing enzyme nitrogenase is a C-centred Fe7MoS cluster (FeMo-co) containing a trigonal prism of six Fe atoms connected by a central belt of three doubly-bridging S atoms. The trigonal faces of the prism are capped via triply-bridging S atoms to Fe1 at one end and Mo at the other end. One of the central belt atoms, S2B, considered to be important in the chemical mechanism of the enzyme, has been shown by Spatzal, Rees et al. to undergo substitution by CO, and also substitution by Se in the presence of SeCN(-), under turnover conditions. Further, when turning over under C2H2 or N2/CO there is migration of Se to the other two belt bridging positions. These reactions are extraordinary, and unprecedented in metal chalcogenide cluster chemistry. Using density functional simulations, mechanisms for all of these reactions have been developed, involving the small molecules SCO, SeCO, C2H2S, C2H2Se, SeCN(-), SCN(-) functioning as carriers of S and Se atoms. The possibility that the S2B bridge position is vacant is discounted, because the barrier to formation of a bridge-void intermediate with two contiguous three-coordinate Fe atoms is too large. A bridging ligand is retained throughout the proposed mechanisms. Intermediates with Fe-C(O)-S/Se-Fe cycles and with SCO/SeCO C-bound to Fe are predicted. The energetics of the reaction trajectories show them to be feasible and easily reversible, consistent with experiment. Alternative mechanisms involving intramolecular differential rotatory rearrangements of the cluster to scramble the Se bridges are also examined, and shown to be very unlikely. The implications of these new facets of the reactivity of the FeMo-co cluster are discussed: it is considered that they are unlikely to be part of the mechanism of the physiological reactions of nitrogenase. PMID:27534727

  3. Formaldehyde and methanol formation from reaction of carbon monoxide and hydrogen on neutral Fe2S2 clusters in the gas phase.

    PubMed

    Yin, Shi; Wang, Zhechen; Bernstein, Elliot R

    2013-04-01

    Reaction of CO with H2 on neutral FemSn clusters in a fast flow reactor is investigated both experimentally and theoretically. Single photon ionization at 118 nm is used to detect neutral cluster distributions through time of flight mass spectrometry. FemSn clusters are generated through laser ablation of a mixed iron-sulfur target in the presence of a pure helium carrier gas. A strong size dependent reactivity of (FeS)m clusters toward CO is characterized. The reaction FeS + CO → Fe + OCS is found for the FeS cluster, and the association product Fe2S2CO is observed for the Fe2S2 cluster. Products Fe2S2(13)COH2 and Fe2S2(13)COH4 are identified for reactions of (13)CO and H2 on Fe2S2 clusters: this suggests that the Fe2S2 cluster has a high catalytic activity for hydrogenation reactions of CO to form formaldehyde and methanol. Density functional theory (DFT) calculations are performed to explore the potential energy surfaces for the two reactions: Fe2S2 + CO + 2H2 → Fe2S2 + CH3OH; and Fe2S2 + CO + H2 → Fe2S2 + CH2O. A barrierless, thermodynamically favorable pathway is obtained for both catalytic processes. Catalytic cycles for formaldehyde and methanol formation from CO and H2 on a Fe2S2 cluster are proposed based on our experimental and theoretical investigations. The various reaction mechanisms explored by DFT are in good agreement with the experimental results. Condensed phase iron sulfide, which contains exposed Fe2S2 units on its surface, is suggested to be a good catalyst for low temperature formaldehyde/methanol synthesis.

  4. Au25 Clusters as Electron-Transfer Catalysts Induced the Intramolecular Cascade Reaction of 2-nitrobenzonitrile

    PubMed Central

    Chong, Hanbao; Li, Peng; Wang, Shuxin; Fu, Fangyu; Xiang, Ji; Zhu, Manzhou; Li, Yadong

    2013-01-01

    Design of atomically precise metal nanocluster catalysts is of great importance in understanding the essence of the catalytic reactions at the atomic level. Here, for the first time, Au25z nanoslusters were employed as electron transfer catalysts to induce an intramolecular cascade reaction at ambient conditions and gave rise to high conversion (87%) and selectivity (96%). Electron spin-resonance spectra indeed confirmed the consecutive electron transfer process and the formation of N radical. UV-vis absorption spectra also verified Au25z was intact after the catalytic circle. Our research may open up wide opportunities for extensive organic reactions catalyzed by Au25z. PMID:24225495

  5. Reactions with a Metalloid Tin Cluster {Sn10[Si(SiMe3)3]4}(2-): Ligand Elimination versus Coordination Chemistry.

    PubMed

    Schrenk, Claudio; Gerke, Birgit; Pöttgen, Rainer; Clayborne, Andre; Schnepf, Andreas

    2015-05-26

    Chemistry that uses metalloid tin clusters as a starting material is of fundamental interest towards understanding the reactivity of such compounds. Since we identified {Sn10[Si(SiMe3)3]4}(2-) 7 as an ideal candidate for such reactions, we present a further step in the understanding of metalloid tin cluster chemistry. In contrast to germanium chemistry, ligand elimination seems to be a major reaction channel, which leads to the more open metalloid cluster {Sn10[Si(SiMe3)3]3}(-) 9, in which the Sn core is only shielded by three Si(SiMe3)3 ligands. Compound 9 is obtained through different routes and is crystallised together with two different countercations. Besides the structural characterisation of this novel metalloid tin cluster, the electronic structure is analysed by (119)Sn Mössbauer spectroscopy. Additionally, possible reaction pathways are discussed. The presented first step into the chemistry of metalloid tin clusters thus indicates that, with respect to metalloid germanium clusters, more reaction channels are accessible, thereby leading to a more complex reaction system.

  6. Near Fermi Energy reaction dynamics and clustering in alpha-conjugate systems

    NASA Astrophysics Data System (ADS)

    Cao, Xiguang; Schmidt, Katarzyna; Kim, E.-J.; Hagel, K.; Barbui, M.; Wuenschel, S.; Natowitz, J. B.; Zheng, H.; Blando, N.; Bonasera, A.; Giuliani, G.

    2015-10-01

    Theoretical study predicted that the self-organizing of alpha cluster is favored over deuteron below a critical density with moderate temperature, where the possible Bose-Einstein condensation (BEC) is expected to occur. However the experimental information about the alpha states at low density is scarce. It is natural to pursue experiments with α conjugate beams and advanced detection apparatus to explore the collective dynamics of alpha clustered systems at low density. Systematical experiments were carried out with 40Ca and 28Si beams at 10, 25, 35 MeV/u incident on 28Si, 12C, 40Ca and 180Ta targets, detected with the NIMROD-ISiS 4 Pi detector array. It is found that there is a strong neck-like emission, which consists mainly of alpha-like fragments. The characteristic of the α emission source is explored by shape analysis, multi-particle correlation and quantum fluctuation approaches. How these observables reveal the possible alpha BEC in low density and possible exotic toroidal and linear chain configurations made out of alpha clusters is discussed.

  7. 4f photoemission from Ce clusters and disordered reaction products at Ce/Si and Ce/GaAs interfaces

    NASA Astrophysics Data System (ADS)

    Fujimori, Atsushi; Grioni, M.; Joyce, J. J.; Weaver, J. H.

    1985-06-01

    Synchrotron radiation photoemission has been used to study the 4f emission from 4f electrons in Ce clusters and disordered reaction products at Ce/GaAs(110) and Ce/Si(111) interfaces. For low Ce coverages on GaAs(110), the reacted interface forms Ce-As local configurations with two 4f-derived features similar to those of bulk CeAs. The shallower 4f peak is located ~1 eV below EF, indicating that it is not due to fully relaxed 4f holes, consistent with the As p-->Ce 4f charge-transfer screening mechanism. For the Ce/Si interface, small Ce clusters formed at low coverage have only a single 4f peak at -3.3 eV, with no evidence of a second peak nearer EF. This is attributed to the reduced number of neighboring Ce 5d orbitals for the clusters, apparent stability of the γ phase relative to the α phase (in the ground state), and reducted 5d-->4f charge-transfer screening probability in the photoemission final state. At high coverages, Ce overlayers cover the reacted interfaces, but our results show that the 4f emission near EF is not established until θ~=20 monolayers, suggesting that the 4f-5d hybridization in metallic Ce is long ranged compared with the short-range Ce-4f/As-p hybridization.

  8. Secretory immunoglobulin A and cardiovascular reactions to mental arithmetic, cold pressor, and exercise: effects of alpha-adrenergic blockade.

    PubMed

    Ring, C; Harrison, L K; Winzer, A; Carroll, D; Drayson, M; Kendall, M

    2000-09-01

    The mechanism underlying acute changes in secretory immunoglobulin A (sIgA) remains to be determined. In this experiment, sIgA and cardiovascular activity were monitored at rest and while participants performed a mental arithmetic task, cold pressor, and submaximal cycle exercise following placebo or 1 mg of the alpha-adrenergic blocker, doxazosin. Under placebo, the tasks produced patterns of cardiovascular activity indicative of combined alpha- and beta-adrenergic, alpha-adrenergic, and beta-adrenergic activation, respectively. Doxazosin was associated with reduced blood pressure during cold pressor, but not during arithmetic or exercise. Mental arithmetic elicited increases in sIgA concentration and exercise produced increases in both sIgA concentration and secretion rate; these changes were unaffected by alpha blockade. In contrast, the cold pressor was associated with decreases in both sIgA concentration and secretion rate, which were blocked by doxazosin. These data suggest that acute decreases, but not increases, in sIgA are mediated by alpha-adrenergic mechanisms.

  9. An accurate potential energy surface for the F + H2 → HF + H reaction by the coupled-cluster method

    NASA Astrophysics Data System (ADS)

    Chen, Jun; Sun, Zhigang; Zhang, Dong H.

    2015-01-01

    A three dimensional potential energy surface for the F + H2 → HF + H reaction has been computed by the spin unrestricted coupled cluster method with singles, doubles, triples, and perturbative quadruples [UCCSDT(2)Q] using the augmented correlation-consistent polarised valence quadruple zeta basis set for the fluorine atom and the correlation-consistent polarised valence quadruple zeta basis set for the hydrogen atom. All the calculations are based on the restricted open-shell Hartree-Fock orbitals, together with the frozen core approximations, and the UCCSD(T)/complete basis set (CBS) correction term was included. The global potential energy surface was calculated by fitting the sampled ab initio points without any scaling factor for the correlation energy part using a neutral network function method. Extensive dynamics calculations have been carried out on the potential energy surface. The reaction rate constants, integral cross sections, product rotational states distribution, and forward and backward scattering as a function of collision energy of the F + HD → HF + D, F + HD → DF + H, and F + H2 reaction, were calculated by the time-independent quantum dynamics scattering theory using the new surface. The satisfactory agreement with the reported experimental observations previously demonstrates the accuracy of the new potential energy surface.

  10. An accurate potential energy surface for the F + H2 → HF + H reaction by the coupled-cluster method.

    PubMed

    Chen, Jun; Sun, Zhigang; Zhang, Dong H

    2015-01-14

    A three dimensional potential energy surface for the F + H2 → HF + H reaction has been computed by the spin unrestricted coupled cluster method with singles, doubles, triples, and perturbative quadruples [UCCSDT(2)Q] using the augmented correlation-consistent polarised valence quadruple zeta basis set for the fluorine atom and the correlation-consistent polarised valence quadruple zeta basis set for the hydrogen atom. All the calculations are based on the restricted open-shell Hartree-Fock orbitals, together with the frozen core approximations, and the UCCSD(T)/complete basis set (CBS) correction term was included. The global potential energy surface was calculated by fitting the sampled ab initio points without any scaling factor for the correlation energy part using a neutral network function method. Extensive dynamics calculations have been carried out on the potential energy surface. The reaction rate constants, integral cross sections, product rotational states distribution, and forward and backward scattering as a function of collision energy of the F + HD → HF + D, F + HD → DF + H, and F + H2 reaction, were calculated by the time-independent quantum dynamics scattering theory using the new surface. The satisfactory agreement with the reported experimental observations previously demonstrates the accuracy of the new potential energy surface.

  11. Structure sensitive reactions over Co, Fe and mixed metal clusters in zeolites. Annual technical progress report

    SciTech Connect

    Suib, S.L.

    1992-08-01

    Transient and steady state kinetic studies of structure sensitive reactions of cyclopropane (c-C{sub 3}H{sub 6}) and hydrogen over zeolites is the first area of this studied. Low level impurity Fe{sup 3+} ions in zeolites complicate interpretation of spectroscopic and catalytic studies of these systems. We focused our efforts on selectively substituting Fe{sup 3+} ions in the frameworks of various zeolites to understand their role in catalytic reactions such as with c-C{sub 3}H{sub 6} and H{sub 2}. These studies led to isomorphous substitution of other ions like B{sup 3+} and their use in isomerization of n-butenes to isobutylene. The third area of research involves the synthesis, characterization and catalysis of a new class of molecular sieve manganese oxide tunnel structure materials.

  12. Structure sensitive reactions over Co, Fe and mixed metal clusters in zeolites

    SciTech Connect

    Suib, S.L.

    1992-08-01

    Transient and steady state kinetic studies of structure sensitive reactions of cyclopropane (c-C{sub 3}H{sub 6}) and hydrogen over zeolites is the first area of this studied. Low level impurity Fe{sup 3+} ions in zeolites complicate interpretation of spectroscopic and catalytic studies of these systems. We focused our efforts on selectively substituting Fe{sup 3+} ions in the frameworks of various zeolites to understand their role in catalytic reactions such as with c-C{sub 3}H{sub 6} and H{sub 2}. These studies led to isomorphous substitution of other ions like B{sup 3+} and their use in isomerization of n-butenes to isobutylene. The third area of research involves the synthesis, characterization and catalysis of a new class of molecular sieve manganese oxide tunnel structure materials.

  13. Size and structure effects of Pt{sub N} (N = 12 − 13) clusters for the oxygen reduction reaction: First-principles calculations

    SciTech Connect

    Rodríguez-Kessler, P. L.; Rodríguez-Domínguez, A. R.

    2015-11-14

    Size and structure effects on the oxygen reduction reaction on Pt{sub N} clusters with N = 12–13 atoms have been investigated using periodic density functional theory calculations with the generalized gradient approximation. To describe the catalytic activity, we calculated the O and OH adsorption energies on the cluster surface. The oxygen binding on the 3-fold hollow sites on stable Pt{sub 12−13} cluster models resulted more favorable for the reaction with O, compared with the Pt{sub 13}(I{sub h}) and Pt{sub 55}(I{sub h}) icosahedral particles, in which O binds strongly. However, the rate-limiting step resulted in the removal of the OH species due to strong adsorptions on the vertex sites, reducing the utility of the catalyst surface. On the other hand, the active sites of Pt{sub 12−13} clusters have been localized on the edge sites. In particular, the OH adsorption on a bilayer Pt{sub 12} cluster is the closest to the optimal target; with 0.0-0.2 eV weaker than the Pt(111) surface. However, more progress is necessary to activate the vertex sites of the clusters. The d-band center of Pt{sub N} clusters shows that the structural dependence plays a decisive factor in the cluster reactivity.

  14. Size and structure effects of PtN (N = 12 - 13) clusters for the oxygen reduction reaction: First-principles calculations

    NASA Astrophysics Data System (ADS)

    Rodríguez-Kessler, P. L.; Rodríguez-Domínguez, A. R.

    2015-11-01

    Size and structure effects on the oxygen reduction reaction on PtN clusters with N = 12-13 atoms have been investigated using periodic density functional theory calculations with the generalized gradient approximation. To describe the catalytic activity, we calculated the O and OH adsorption energies on the cluster surface. The oxygen binding on the 3-fold hollow sites on stable Pt12-13 cluster models resulted more favorable for the reaction with O, compared with the Pt13(Ih) and Pt55(Ih) icosahedral particles, in which O binds strongly. However, the rate-limiting step resulted in the removal of the OH species due to strong adsorptions on the vertex sites, reducing the utility of the catalyst surface. On the other hand, the active sites of Pt12-13 clusters have been localized on the edge sites. In particular, the OH adsorption on a bilayer Pt12 cluster is the closest to the optimal target; with 0.0-0.2 eV weaker than the Pt(111) surface. However, more progress is necessary to activate the vertex sites of the clusters. The d-band center of PtN clusters shows that the structural dependence plays a decisive factor in the cluster reactivity.

  15. Cold Sores

    MedlinePlus

    ... delivered directly to your desktop! more... What Are Cold Sores? Article Chapters What Are Cold Sores? Cold ... January 2012 Previous Next Related Articles: Canker and Cold Sores Aloe Vera May Help Relieve Mouth Sores ...

  16. Buffer Gas Modifiers Effect Resolution in Ion Mobility Spectrometry through Selective Ion-Molecule Clustering Reactions

    PubMed Central

    Fernández-Maestre, Roberto; Wu, Ching; Hill, Herbert H.

    2013-01-01

    RATIONALE When polar molecules (modifiers) are introduced into the buffer gas of an ion mobility spectrometer, most ion mobilities decrease due to the formation of ion-modifier clusters. METHODS We used ethyl lactate, nitrobenzene, 2-butanol, and tetrahydrofuran-2-carbonitrile as buffer gas modifiers and electrospray ionization ion mobility spectrometry (IMS) coupled to quadrupole mass spectrometry. Ethyl lactate, nitrobenzene, and tetrahydrofuran-2-carbonitrile had not been tested as buffer gas modifiers and 2-butanol had not been used with basic amino acids. RESULTS The ion mobilities of several diamines (arginine, histidine, lysine, and atenolol) were not affected or only slightly reduced when these modifiers were introduced into the buffer gas (3.4% average reduction in an analyte's mobility for the three modifiers). Intramolecular bridges caused limited change in the ion mobilities of diamines when modifiers were added to the buffer gas; these bridges hindered the attachment of modifier molecules to the positive charge of ions and delocalized the charge, which deterred clustering. There was also a tendency towards large changes in ion mobility when the mass of the analyte decreased; ethanolamine, the smallest compound tested, had the largest reduction in ion mobility with the introduction of modifiers into the buffer gas (61%). These differences in mobilities, together with the lack of shift in bridge-forming ions, were used to separate ions that overlapped in IMS, such as isoleucine and lysine, and arginine and phenylalanine, and made possible the prediction of separation or not of overlapping ions. CONCLUSIONS The introduction of modifiers into the buffer gas in IMS can selectively alter the mobilities of analytes to aid in compound identification and/or enable the separation of overlapping analyte peaks. PMID:22956312

  17. On-surface reaction of tetraphenylporphyrins with Os3(CO)12 precursors and Os clusters: A scanning tunnelling microscopy investigation

    NASA Astrophysics Data System (ADS)

    Sağlam, Özge; Yetik, Görsel; Reichert, Joachim; Barth, Johannes V.; Papageorgiou, Anthoula C.

    2016-04-01

    The ability of porphyrin molecules to incorporate metal atoms into the cavity of the macrocycle is the primary factor that enables the plethora of their applications. The fabrication and characterisation of surface confined metal-organic architectures by employing porphyrins promise unique technical applications in the field of nanotechnology. Here we report on the efforts to use triosmium dodecacarbonyl as a metal precursor for the on-surface Os functionalisation of porphyrins under ultra-high vacuum conditions. We address the effects of the temperature treatment of mixtures of tetraphenylporphyrins and the Os precursor molecules, which can decompose to yield Os clusters, on Ag(111) via scanning tunnelling microscopy, a technique that provides real-space visualisation of the reaction products formed. It is shown that free base porphyrins can be metallated to osmium porphyrins. Furthermore the presence of Os on the Ag(111) surface catalyses intramolecular cyclodehydrogenations in tetraphenylporphyrins, as well as intermolecular tetraphenylporphyrin polymerisation.

  18. Collinear cluster tripartition channel in the reaction {sup 235}U(n{sub th}, f)

    SciTech Connect

    Pyatkov, Yu. V.; Kamanin, D. V.; Kopach, Yu. N.; Alexandrov, A. A.; Alexandrova, I. A.; Borzakov, S. B.; Voronov, Yu. N.; Zhuchko, V. E.; Kuznetsova, E. A. Panteleev, Ts.; Tyukavkin, A. N.

    2010-08-15

    Investigation of the {sup 235}U(n{sub th}, f) reaction using the miniFOBOS double-arm time-of-flight spectrometer of fission fragments confirmed manifestations of the earlier unknown many-body, at least ternary, decay involving almost collinear decay-product escape, which were first observed in the spontaneous fission of {sup 252}Cf(sf). The use of variables sensitive to the nuclear charge of fission fragments allowed the reliability of identification of decay events to be increased and new decay modes to be revealed.

  19. The FX iron-sulfur cluster serves as the terminal bound electron acceptor in heliobacterial reaction centers.

    PubMed

    Romberger, Steven P; Golbeck, John H

    2012-03-01

    Phototrophs of the family Heliobacteriaceae contain the simplest known Type I reaction center (RC), consisting of a homodimeric (PshA)(2) core devoid of bound cytochromes and antenna proteins. Unlike plant and cyanobacterial Photosystem I in which the F(A)/F(B) protein, PsaC, is tightly bound to P(700)-F(X) cores, the RCs of Heliobacterium modesticaldum contain two F(A)/F(B) proteins, PshBI and PshBII, which are loosely bound to P(800)-F(X) cores. These two 2[4Fe-4S] ferredoxins have been proposed to function as mobile redox proteins, reducing downstream metabolic partners much in the same manner as does [2Fe-2S] ferredoxin or flavodoxin (Fld) in PS I. Using P(800)-F(X) cores devoid of PshBI and PshBII, we show that iron-sulfur cluster F(X) directly reduces Fld without the involvement of F(A) or F(B) (Fld is used as a proxy for soluble redox proteins even though a gene encoding Fld is not identified in the H. modesticaldum genome). The reduction of Fld is suppressed by the addition of PshBI or PshBII, an effect explained by competition for the electron on F(X). In contrast, P(700)-F(X) cores require the presence of the PsaC, and hence, the F(A)/F(B) clusters for Fld (or ferredoxin) reduction. Thus, in H. modesticaldum, the interpolypeptide F(X) cluster serves as the terminal bound electron acceptor. This finding implies that the homodimeric (PshA)(2) cores should be capable of donating electrons to a wide variety of yet-to-be characterized soluble redox partners. PMID:22297911

  20. Pharmacovigilance from social media: mining adverse drug reaction mentions using sequence labeling with word embedding cluster features

    PubMed Central

    Sarker, Abeed; O’Connor, Karen; Ginn, Rachel

    2015-01-01

    Objective Social media is becoming increasingly popular as a platform for sharing personal health-related information. This information can be utilized for public health monitoring tasks, particularly for pharmacovigilance, via the use of natural language processing (NLP) techniques. However, the language in social media is highly informal, and user-expressed medical concepts are often nontechnical, descriptive, and challenging to extract. There has been limited progress in addressing these challenges, and thus far, advanced machine learning-based NLP techniques have been underutilized. Our objective is to design a machine learning-based approach to extract mentions of adverse drug reactions (ADRs) from highly informal text in social media. Methods We introduce ADRMine, a machine learning-based concept extraction system that uses conditional random fields (CRFs). ADRMine utilizes a variety of features, including a novel feature for modeling words’ semantic similarities. The similarities are modeled by clustering words based on unsupervised, pretrained word representation vectors (embeddings) generated from unlabeled user posts in social media using a deep learning technique. Results ADRMine outperforms several strong baseline systems in the ADR extraction task by achieving an F-measure of 0.82. Feature analysis demonstrates that the proposed word cluster features significantly improve extraction performance. Conclusion It is possible to extract complex medical concepts, with relatively high performance, from informal, user-generated content. Our approach is particularly scalable, suitable for social media mining, as it relies on large volumes of unlabeled data, thus diminishing the need for large, annotated training data sets. PMID:25755127

  1. Competing computational approaches to reaction-diffusion equations in clusters of cells

    NASA Astrophysics Data System (ADS)

    Stella, Sabrina; Chignola, Roberto; Milotti, Edoardo

    2014-03-01

    We have developed a numerical model that simulates the growth of small avascular solid tumors. At its core lies a set of partial differential equations that describe diffusion processes as well as transport and reaction mechanisms of a selected number of nutrients. Although the model relies on a restricted subset of molecular pathways, it compares well with experiments, and its emergent properties have recently led us to uncover a metabolic scaling law that stresses the common mechanisms that drive tumor growth. Now we plan to expand the biochemical model at the basis of the simulator to extend its reach. However, the introduction of additional molecular pathways requires an extensive revision of the reaction-diffusion part of the C++ code to make it more modular and to boost performance. To this end, we developed a novel computational abstract model where the individual molecular species represent the basic computational building blocks. Using a simple two-dimensional toy model to benchmark the new code, we find that the new implementation produces a more modular code without affecting performance. Preliminary results also show that a factor 2 speedup can be achieved with OpenMP multithreading, and other very preliminary results indicate that at least an order-of-magnitude speedup can be obtained using an NVidia Fermi GPU with CUDA code.

  2. Discovery of a rich proto-cluster at z = 2.9 and associated diffuse cold gas in the VIMOS Ultra-Deep Survey (VUDS)

    NASA Astrophysics Data System (ADS)

    Cucciati, O.; Zamorani, G.; Lemaux, B. C.; Bardelli, S.; Cimatti, A.; Le Fèvre, O.; Cassata, P.; Garilli, B.; Le Brun, V.; Maccagni, D.; Pentericci, L.; Tasca, L. A. M.; Thomas, R.; Vanzella, E.; Zucca, E.; Amorin, R.; Capak, P.; Cassarà, L. P.; Castellano, M.; Cuby, J. G.; de la Torre, S.; Durkalec, A.; Fontana, A.; Giavalisco, M.; Grazian, A.; Hathi, N. P.; Ilbert, O.; Moreau, C.; Paltani, S.; Ribeiro, B.; Salvato, M.; Schaerer, D.; Scodeggio, M.; Sommariva, V.; Talia, M.; Taniguchi, Y.; Tresse, L.; Vergani, D.; Wang, P. W.; Charlot, S.; Contini, T.; Fotopoulou, S.; López-Sanjuan, C.; Mellier, Y.; Scoville, N.

    2014-10-01

    a rest frame EW of 10.8 ± 3.7 Å, with a detection S/N of ~4. We verify that this measurement is not likely to be due to noise fluctuations. These EW values imply a high column density (N(HI) ~ 3-20 × 1019 cm-2), consistent with a scenario where such absorption is due to intervening cold streams of gas that are falling into the halo potential wells of the proto-cluster galaxies. Nevertheless, we cannot rule out the hypothesis that this absorption line is related to the diffuse gas within the overdensity. Based on data obtained with the European Southern Observatory Very Large Telescope, Paranal, Chile, under Large Program 185.A-0791.

  3. Reaction Norms in Natural Conditions: How Does Metabolic Performance Respond to Weather Variations in a Small Endotherm Facing Cold Environments?

    PubMed Central

    Petit, Magali; Vézina, François

    2014-01-01

    Reaction norms reflect an organisms' capacity to adjust its phenotype to the environment and allows for identifying trait values associated with physiological limits. However, reaction norms of physiological parameters are mostly unknown for endotherms living in natural conditions. Black-capped chickadees (Poecile atricapillus) increase their metabolic performance during winter acclimatization and are thus good model to measure reaction norms in the wild. We repeatedly measured basal (BMR) and summit (Msum) metabolism in chickadees to characterize, for the first time in a free-living endotherm, reaction norms of these parameters across the natural range of weather variation. BMR varied between individuals and was weakly and negatively related to minimal temperature. Msum varied with minimal temperature following a Z-shape curve, increasing linearly between 24°C and −10°C, and changed with absolute humidity following a U-shape relationship. These results suggest that thermal exchanges with the environment have minimal effects on maintenance costs, which may be individual-dependent, while thermogenic capacity is responding to body heat loss. Our results suggest also that BMR and Msum respond to different and likely independent constraints. PMID:25426860

  4. Measurement of the parity-violating triton emission asymmetry in the reaction {sup 6}Li(n,{alpha}){sup 3}H with polarized cold neutrons

    SciTech Connect

    Vesna, V. A.; Shulgina, E. V.; Gledenov, Yu. M.; Sedyshev, P. V.; Nesvizhevsky, V. V.; Petoukhov, A. K.; Soldner, T.; Zimmer, O.

    2008-03-15

    We describe measurements of the parity-violating (P-odd) triton emission asymmetry coefficient a{sub P-odd} in the {sup 6}Li(n,{alpha}){sup 3}H reaction with polarized cold neutrons. Experiments were carried out at the Petersburg Nuclear Physics Institute (Gatchina, Russia) and at the Institut Laue-Langevin (Grenoble, France). We employed an ionisation chamber in a configuration allowing us to suppress the left-right asymmetry well below 10{sup -8}. An additional test for a false asymmetry due to eventual target impurities (''zero test'') resulted in a{sub 0-test}=(0.0{+-}0.5)x10{sup -8}. As final result of this series of experiments we obtained a{sub P-odd}=(-8.8{+-}2.1)x10{sup -8}.

  5. Ce(x)O(y)⁻ (x = 2-3) + D₂O reactions: stoichiometric cluster formation from deuteroxide decomposition and anti-Arrhenius behavior.

    PubMed

    Felton, Jeremy A; Ray, Manisha; Waller, Sarah E; Kafader, Jared O; Jarrold, Caroline Chick

    2014-10-30

    Reactions between small cerium oxide cluster anions and deuterated water were monitored as a function of both water concentration and temperature in order to determine the temperature dependence of the rate constants. Sequential oxidation reactions of the Ce(x)O(y)⁻ (x = 2, 3) suboxide cluster anions were found to exhibit anti-Arrhenius behavior, with activation energies ranging from 0 to -18 kJ mol⁻¹. Direct oxidation of species up to y = x was observed, after which, -OD abstraction and D₂O addition reactions were observed. However, the stoichiometric Ce₂O₄⁻ and Ce₃O₆⁻ cluster anions also emerge in reactions between D₂O and the respective precursors, Ce₂O₃D⁻ and Ce₃O₅D₂⁻. Ce₂O₄⁻ and Ce₃O₆⁻ product intensities diminish relative to deuteroxide complex intensities with increasing temperature. The kinetics of these reactions are compared to the kinetics of the previously studied Mo(x)O(y)⁻ and W(x)O(y)⁻ reactions with water, and the possible implications for the reaction mechanisms are discussed.

  6. The mechanism of emerging catalytic activity of gold nano-clusters on rutile TiO{sub 2}(110) in CO oxidation reaction

    SciTech Connect

    Mitsuhara, K.; Tagami, M.; Matsuda, T.; Visikovskiy, A.; Kido, Y.; Takizawa, M.

    2012-03-28

    This paper reveals the fact that the O adatoms (O{sub ad}) adsorbed on the 5-fold Ti rows of rutile TiO{sub 2}(110) react with CO to form CO{sub 2} at room temperature and the oxidation reaction is pronouncedly enhanced by Au nano-clusters deposited on the above O-rich TiO{sub 2}(110) surfaces. The optimum activity is obtained for 2D clusters with a lateral size of {approx}1.5 nm and two-atomic layer height corresponding to {approx}50 Au atoms/cluster. This strong activity emerging is attributed to an electronic charge transfer from Au clusters to O-rich TiO{sub 2}(110) supports observed clearly by work function measurement, which results in an interface dipole. The interface dipoles lower the potential barrier for dissociative O{sub 2} adsorption on the surface and also enhance the reaction of CO with the O{sub ad} atoms to form CO{sub 2} owing to the electric field of the interface dipoles, which generate an attractive force upon polar CO molecules and thus prolong the duration time on the Au nano-clusters. This electric field is screened by the valence electrons of Au clusters except near the perimeter interfaces, thereby the activity is diminished for three-dimensional clusters with a larger size.

  7. Cryogenic Trapping and Isotope Editing Identify a Protonated Water Cluster as an Intermediate in the Photosynthetic Oxygen-Evolving Reaction.

    PubMed

    Guo, Zhanjun; Barry, Bridgette A

    2016-09-01

    Internal water is known to play a catalytic role in several enzymes. In photosystem II (PSII), water is the substrate. To oxidize water, the PSII Mn4CaO5 cluster or oxygen evolving center (OEC) cycles through five oxidation states, termed Sn states. As reaction products, molecular oxygen is released, and protons are transferred through a ∼25 Å hydrogen-bonded network from the OEC to the thylakoid lumen. Previously, it was reported that a broad infrared band at 2880 cm(-1) is produced during the S1-to-S2 transition and accompanies flash-induced, S state cycling at pH 7.5. Here, we report that when the S2 state is trapped by continuous illumination under cryogenic conditions (190 K), an analogous 2740/2900 cm(-1) band is observed. The frequency depended on the sodium chloride concentration. This band is unambiguously assigned to a normal mode of water by D2(16)O and H2(18)O solvent exchange. Its large, apparent H2(18)O isotope shift, ammonia sensitivity, frequency, and intensity support assignment to a stretching vibration of a hydronium cation, H3O(+), in a small, protonated internal water cluster, nH2O(H3O(+)). Water OH stretching bands, which may be derived from the hydration shell of the hydronium ion, are also identified. Using the 2740 cm(-1) infrared marker, the results of calcium depletion and strontium reconstitution on the protonated water cluster are found to be pH dependent. This change is attributed to protonation of an amino acid side chain and a possible change in nH2O(H3O)(+) localization in the hydrogen-bonding network. These results are consistent with an internal water cluster functioning as a proton acceptor and an intermediate during the S1-to-S2 transition. Our experiments demonstrate the utility of this infrared signal as a novel functional probe in PSII. PMID:27491625

  8. Incorporating a completely renormalized coupled cluster approach into a composite method for thermodynamic properties and reaction paths

    SciTech Connect

    Nedd, Sean; DeYonker, Nathan; Wilson, Angela; Piecuch, Piotr; Gordon, Mark

    2012-04-12

    The correlation consistent composite approach (ccCA), using the S4 complete basis set two-point extrapolation scheme (ccCA-S4), has been modified to incorporate the left-eigenstate completely renormalized coupled cluster method, including singles, doubles, and non-iterative triples (CR-CC(2,3)) as the highest level component. The new ccCA-CC(2,3) method predicts thermodynamic properties with an accuracy that is similar to that of the original ccCA-S4 method. At the same time, the inclusion of the single-reference CR-CC(2,3) approach provides a ccCA scheme that can correctly treat reaction pathways that contain certain classes of multi-reference species such as diradicals, which would normally need to be treated by more computationally demanding multi-reference methods. The new ccCA-CC(2,3) method produces a mean absolute deviation of 1.7 kcal/mol for predicted heats of formation at 298 K, based on calibration with the G2/97 set of 148 molecules, which is comparable to that of 1.0 kcal/mol obtained using the ccCA-S4 method, while significantly improving the performance of the ccCA-S4 approach in calculations involving more demanding radical and diradical species. Both the ccCA-CC(2,3) and ccCA-S4 composite methods are used to characterize the conrotatory and disrotatory isomerization pathways of bicyclo[1.1.0]butane to trans-1,3-butadiene, for which conventional coupled cluster methods, such as the CCSD(T) approach used in the ccCA-S4 model and, in consequence, the ccCA-S4 method itself might fail by incorrectly placing the disrotatory pathway below the conrotatory one. The ccCA-CC(2,3) scheme provides correct pathway ordering while providing an accurate description of the activation and reaction energies characterizing the lowest-energy conrotatory pathway. The ccCA-CC(2,3) method is thus a viable method for the analyses of reaction mechanisms that have significant multi-reference character, and presents a generally less computationally intensive alternative to

  9. Application of evolved gas analysis to cold-cap reactions of melter feeds for nuclear waste vitrification

    SciTech Connect

    Kruger, Albert A.; Chun, Jaehun; Hrma, Pavel R.; Rodriguez, Carmen P.; Schweiger, Michael J.

    2014-04-30

    In the vitrification of nuclear wastes, the melter feed (a mixture of nuclear waste and glass-forming and modifying additives) experiences multiple gas-evolving reactions in an electrical glass-melting furnace. We employed the thermogravimetry-gas chromatography-mass spectrometry (TGA-GC-MS) combination to perform evolved gas analysis (EGA). Apart from identifying the gases evolved, we performed quantitative analysis relating the weighed sum of intensities of individual gases linearly proportional with the differential themogravimetry. The proportionality coefficients were obtained by three methods based on the stoichiometry, least squares, and calibration. The linearity was shown to be a good first-order approximation, in spite of the complicated overlapping reactions.

  10. Comproportionation reactions to manganese(III/IV) pivalate clusters: a new half-integer spin single-molecule magnet.

    PubMed

    Mukherjee, Shreya; Abboud, Khalil A; Wernsdorfer, Wolfgang; Christou, George

    2013-01-18

    The comproportionation reaction between Mn(II) and Mn(VII) reagents under acidic conditions has been investigated in the presence of pivalic acid as a route to new high oxidation state manganese pivalate clusters containing some Mn(IV). The reaction of Mn(O(2)CBu(t))(2) and NBu(n)(4)MnO(4) with an excess of pivalic acid in the presence of Mn(ClO(4))(2) and NBu(n)(4)Cl in hot MeCN led to the isolation of [Mn(8)O(6)(OH)(O(2)CBu(t))(9)Cl(3)(Bu(t)CO(2)H)(0.5)(MeCN)(0.5)] (1). In contrast, the reaction of Mn(NO(3))(2) and NBu(n)(4)MnO(4) in hot MeCN with an excess of pivalic acid gave a different octanuclear complex, [Mn(8)O(9)(O(2)CBu(t))(12)] (2). The latter reaction but with Mn(O(2)CBu(t))(2) in place of Mn(NO(3))(2), and in a MeCN/THF solvent medium, gave [Mn(9)O(7)(O(2)CBu(t))(13)(THF)(2)] (3). Complexes 1-3 possess rare or unprecedented Mn(x) topologies: 1 possesses a [Mn(III)(7)Mn(IV)(μ(3)-O)(4)(μ(4)-O)(2)(μ(3)-OH)(μ(4)-Cl)(μ(2)-Cl)](8+) core consisting of two body-fused Mn(4) butterfly units attached to the remaining Mn atoms via bridging O(2-), OH(-), and Cl(-) ions. In contrast, 2 possesses a [Mn(6)(IV)Mn(2)(III)(μ(3)-O)(6)(μ-O)(3)](12+) core consisting of two [Mn(3)O(4)] incomplete cubanes linked by their O(2-) ions to two Mn(III) atoms. The cores of 1 and 2 are unprecedented in Mn chemistry. The [Mn(III)(9)(μ(3)-O)(7)](13+) core of 3 also contains two body-fused Mn(4) butterfly units, but they are linked to the remaining Mn atoms in a different manner than in 1. Solid-state direct current (dc) and/or alternating current (ac) magnetic susceptibility data established S = (15)/(2), S = 2, and S = 1 ground states for 1·MeCN, 2·(1)/(4)MeCN, and 3, respectively. The ac susceptibility data also revealed nonzero, frequency-dependent out-of-phase (χ″(M)) signals for 1·MeCN at temperatures below 3 K, suggesting possible single-molecule magnet behavior, which was confirmed by single-crystal magnetization vs dc field scans that exhibited hysteresis loops

  11. 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.

  12. Tuning the selectivity of Gd3N cluster endohedral metallofullerene reactions with Lewis acids.

    PubMed

    Stevenson, Steven; Rottinger, Khristina A; Fahim, Muska; Field, Jessica S; Martin, Benjamin R; Arvola, Kristine D

    2014-12-15

    We demonstrate the manipulation of the Lewis acid strength to selectively fractionate different types of Gd3N metallofullerenes that are present in complex mixtures. Carbon disulfide is used for all Lewis acid studies. CaCl2 exhibits the lowest reactivity but the highest selectivity by precipitating only those gadolinium metallofullerenes with the lowest first oxidation potentials. ZnCl2 selectively complexes Gd3N@C88 during the first 4 h of reaction. Reaction with ZnCl2 for an additional 7 days permits a selective precipitation of Gd3N@C84 as the dominant endohedral isolated. A third fraction is the filtrate, which possesses Gd3N@C86 and Gd3N@C80 as the two dominant metallofullerenes. The order of increasing reactivity and decreasing selectivity (left to right) is as follows: CaCl2 < ZnCl2 < NiCl2 < MgCl2 < MnCl2 < CuCl2 < WCl4 ≪ WCl6 < ZrCl4 < AlCl3 < FeCl3. As a group, CaCl2, ZnCl2, and NiCl2 are the weakest Lewis acids and have the highest selectivity because of their very low precipitation onsets, which are below +0.19 V (i.e., endohedrals with first oxidation potentials below +0.19 V are precipitated). For CaCl2, the precipitation threshold is estimated at a remarkably low value of +0.06 V. Because most endohedrals possess first oxidation potentials significantly higher than +0.06 V, CaCl2 is especially useful in its ability to precipitate only a select group of gadolinium metallofullerenes. The Lewis acids of intermediate reactivity (i.e., precipitation onsets estimated between +0.19 and +0.4 V) are MgCl2, MnCl2, CuCl2, and WCl4. The strongest Lewis acids (WCl6, ZrCl4, AlCl3, and FeCl3) are the least selective and tend to precipitate the entire family of gadolinium metallofullerenes. Tuning the Lewis acid for a specific type of endohedral should be useful in a nonchromatographic purification method. The ability to control which metallofullerenes are permitted to precipitate and which endohedrals would remain in solution is a key outcome of this work.

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

    NASA Astrophysics Data System (ADS)

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

    2013-03-01

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

  14. Reactions of metal ions and their clusters in the gas phase using laser ionization: Fourier transform mass spectrometry. Progress report, February 1, 1992--January 31, 1993

    SciTech Connect

    Freiser, B.S.

    1992-11-01

    This report focuses on three areas we have made substantial new progress in over the past several months: (1) Infrared multiphoton photoinduced ion molecule reactions; (2) The use of SF{sub 6} to detect excited state metal ion behavior; and (3) Cluster ion chemistry.

  15. Stereochemical course of hydrolytic reaction catalyzed by alpha-galactosidase from cold adaptable marine bacterium of genus Pseudoalteromonas

    NASA Astrophysics Data System (ADS)

    Bakunina, Irina; Balabanova, Larissa; Golotin, Vasiliy; Slepchenko, Lyubov; Isakov, Vladimir; Rasskazov, Valeriy

    2014-10-01

    The recombinant α-galactosidase of the marine bacterium (α-PsGal) was synthesized with the use of the plasmid 40Gal, consisting of plasmid pET-40b (+) (Novagen) and the gene corresponding to the open reading frame of the mature α-galactosidase of marine bacterium Pseudoalteromonas sp. KMM 701, transformed into the E. coli Rosetta(DE3) cells. In order to understand the mechanism of action, the stereochemistry of hydrolysis of 4-nitrophenyl α-D-galactopyranoside (4-NPGP) by α-PsGal was measured by 1H NMR spectroscopy. The kinetics of formation of α- and β-anomer of galactose showed that α-anomer initially formed and accumulated, and then an appreciable amount of β-anomer appeared as a result of mutarotation. The data clearly show that the enzymatic hydrolysis of 4-NPGP proceeds with the retention of anomeric configuration, probably, due to a double displacement mechanism of reaction.

  16. Gas-phase reactions of cationic vanadium-phosphorus oxide clusters with C2H(x) (x=4, 6): a DFT-based analysis of reactivity patterns.

    PubMed

    Dietl, Nicolas; Zhang, Xinhao; van der Linde, Christian; Beyer, Martin K; Schlangen, Maria; Schwarz, Helmut

    2013-02-25

    The reactivities of the adamantane-like heteronuclear vanadium-phosphorus oxygen cluster ions [V(x)P(4-x)O(10)](.+) (x=0, 2-4) towards hydrocarbons strongly depend on the V/P ratio of the clusters. Possible mechanisms for the gas-phase reactions of these heteronuclear cations with ethene and ethane have been elucidated by means of DFT-based calculations; homolytic C-H bond activation constitutes the initial step, and for all systems the P-O(.) unit of the clusters serves as the reactive site. More complex oxidation processes, such as oxygen-atom transfer to, or oxidative dehydrogenation of the hydrocarbons require the presence of a vanadium atom to provide the electronic prerequisites which are necessary to bring about the 2e(-) reduction of the cationic clusters.

  17. Gas-Phase Reactions of Cationic Vanadium-Phosphorus Oxide Clusters with C2Hx (x=4, 6): A DFT-Based Analysis of Reactivity Patterns

    PubMed Central

    Dietl, Nicolas; Zhang, Xinhao; van der Linde, Christian; Beyer, Martin K; Schlangen, Maria; Schwarz, Helmut

    2013-01-01

    The reactivities of the adamantane-like heteronuclear vanadium-phosphorus oxygen cluster ions [VxP4−xO10].+ (x=0, 2–4) towards hydrocarbons strongly depend on the V/P ratio of the clusters. Possible mechanisms for the gas-phase reactions of these heteronuclear cations with ethene and ethane have been elucidated by means of DFT-based calculations; homolytic C–H bond activation constitutes the initial step, and for all systems the P–O. unit of the clusters serves as the reactive site. More complex oxidation processes, such as oxygen-atom transfer to, or oxidative dehydrogenation of the hydrocarbons require the presence of a vanadium atom to provide the electronic prerequisites which are necessary to bring about the 2e− reduction of the cationic clusters. PMID:23322620

  18. Cold Stress

    MedlinePlus

    ... be at risk of cold stress. Extreme cold weather is a dangerous situation that can bring on ... the country. In regions relatively unaccustomed to winter weather, near freezing temperatures are considered factors for cold ...

  19. Common Cold

    MedlinePlus

    ... nose, coughing - everyone knows the symptoms of the common cold. It is probably the most common illness. In ... avoid colds. There is no cure for the common cold. For relief, try Getting plenty of rest Drinking ...

  20. Compound nucleus formation probability PCN determined within the dynamical cluster-decay model for various "hot" fusion reactions

    NASA Astrophysics Data System (ADS)

    Kaur, Arshdeep; Chopra, Sahila; Gupta, Raj K.

    2014-08-01

    The compound nucleus (CN) fusion/formation probability PCN is defined and its detailed variations with the CN excitation energy E*, center-of-mass energy Ec .m., fissility parameter χ, CN mass number ACN, and Coulomb interaction parameter Z1Z2 are studied for the first time within the dynamical cluster-decay model (DCM). The model is a nonstatistical description of the decay of a CN to all possible processes. The (total) fusion cross section σfusion is the sum of the CN and noncompound nucleus (nCN) decay cross sections, each calculated as the dynamical fragmentation process. The CN cross section σCN is constituted of evaporation residues and fusion-fission, including intermediate-mass fragments, each calculated for all contributing decay fragments (A1, A2) in terms of their formation and barrier penetration probabilities P0 and P. The nCN cross section σnCN is determined as the quasi-fission (qf) process, where P0=1 and P is calculated for the entrance-channel nuclei. The DCM, with effects of deformations and orientations of nuclei included in it, is used to study the PCN for about a dozen "hot" fusion reactions forming a CN of mass number A ˜100 to superheavy nuclei and for various different nuclear interaction potentials. Interesting results are that PCN=1 for complete fusion, but PCN<1 or PCN≪1 due to the nCN contribution, depending strongly on different parameters of the entrance-channel reaction but found to be independent of the nuclear interaction potentials used.

  1. Freezing injury in cold-acclimated and unhardened spinach leaves : I. Photosynthetic reactions of thylakoids isolated from frost-damaged leaves.

    PubMed

    Klosson, R J; Krause, G H

    1981-04-01

    Spinach plants (Spinacia oleracea L.) were frost-hardened by cold-acclimation to 1° C or kept in an unhardy state at 20°/14° C in phytotrons. Detached leaves were exposed to temperatures below 0°C. Rates of photosynthetic CO2 uptake by the leaves, recorded after frost treatment, served as a measure of freezing injury. Thylakoid membranes were isolated from frost-injured leaves and their photosynthetic activities tested. Ice formation occurred at about-4° to-5° C, both in unhardened and cold-acclimated leaves. After thawing, unhardened leaves appeared severely damaged when they had been exposed to-5° to-8° C. Acclimated leaves were damaged by freezing at temperatures between-10° to-14° C. The pattern of freezing damage was complex and appeared to be identical in hardened and unhardened leaves: 1. Inactivation of photosynthesis and respiration of the leaves occurred almost simultaneously. 2. When the leaves were partly damaged, the rates of photosynthetic electron transport and noncyclic photophosphorylation and the extent of light-induced H(+) uptake by the isolated thylakoids were lowered at about the same degree. The dark decay of the proton gradient was, however, not stimulated, indicating that the permeability of the membrane to-ward protons and metal cations had not increased. 3. As shown by partial reactions of the electron transport system, freezing of leaves predominantly inhibited the oxygen evolution, but photosystem II and photosystem I-dependent electron transport were also impaired. 4. Damage of the chloroplast envelope was indicated by a decline in the percentage of intact chloroplasts found in preparations from injured leaves. The results are discussed in relation to earlier studies on freezing damage of thylakoid membranes occurring in vitro. PMID:24301976

  2. Preliminary Comparison of Reaction Rate theory and Object Kinetic Monte Carlo Simulations of Defect Cluster Dynamics under Irradiation

    SciTech Connect

    Stoller, Roger E; Golubov, Stanislav I; Becquart, C. S.; Domain, C.

    2006-09-01

    The multiscale modeling scheme encompasses models from the atomistic to the continuum scale. Phenomena at the mesoscale are typically simulated using reaction rate theory (RT), Monte Carlo (MC), or phase field models. These mesoscale models are appropriate for application to problems that involve intermediate length scales ( m to >mm), and timescales from diffusion (~ s) to long-term microstructural evolution (~years). Phenomena at this scale have the most direct impact on mechanical properties in structural materials of interest to nuclear energy systems, and are also the most accessible to direct comparison between the results of simulations and experiments. Recent advances in computational power have substantially expanded the range of application for MC models. Although the RT and MC models can be used simulate the same phenomena, many of the details are handled quite differently in the two approaches. A direct comparison of the RT and MC descriptions has been made in the domain of point defect cluster dynamics modeling, which is relevant to both the nucleation and evolution of radiation-induced defect structures. The relative merits and limitations of the two approaches are discussed, and the predictions of the two approaches are compared for specific irradiation conditions.

  3. Evolutionary origins of the photosynthetic water oxidation cluster: bicarbonate permits Mn(2+) photo-oxidation by anoxygenic bacterial reaction centers.

    PubMed

    Khorobrykh, Andrei; Dasgupta, Jyotishman; Kolling, Derrick R J; Terentyev, Vasily; Klimov, Vyacheslav V; Dismukes, G Charles

    2013-09-23

    The enzyme that catalyzes water oxidation in oxygenic photosynthesis contains an inorganic cluster (Mn4 CaO5 ) that is universally conserved in all photosystem II (PSII) protein complexes. Its hypothesized precursor is an anoxygenic photobacterium containing a type 2 reaction center as photo-oxidant (bRC2, iron-quinone type). Here we provide the first experimental evidence that a native bRC2 complex can catalyze the photo-oxidation of Mn(2+) to Mn(3+) , but only in the presence of bicarbonate concentrations that allows the formation of (bRC2)Mn(2+) (bicarbonate)1-2 complexes. Parallel-mode EPR spectroscopy was used to characterize the photoproduct, (bRC2)Mn(3+) (CO3 (2-) ), based on the g tensor and (55) Mn hyperfine splitting. (Bi)carbonate coordination extends the lifetime of the Mn(3+) photoproduct by slowing charge recombination. Prior electrochemical measurements show that carbonate complexation thermodynamically stabilizes the Mn(3+) product by 0.9-1 V relative to water ligands. A model for the origin of the water oxidation catalyst is presented that proposes chemically feasible steps in the evolution of oxygenic PSIIs, and is supported by literature results on the photoassembly of contemporary PSIIs.

  4. The Aftermath of a Suicide Cluster in the Age of Online Social Networking: A Qualitative Analysis of Adolescent Grief Reactions

    ERIC Educational Resources Information Center

    Heffel, Carly J.; Riggs, Shelley A.; Ruiz, John M.; Ruggles, Mark

    2015-01-01

    Although suicide clusters have been identified in many populations, research exploring the role of online communication in the aftermath of a suicide cluster is extremely limited. This study used the Consensual Qualitative Research method to analyze interviews with ten high school students 1 year after a suicide cluster in a small suburban school…

  5. Manipulating the charge state of Au clusters on rutile TiO2(110) single crystal surfaces through molecular reactions probed by infrared spectroscopy.

    PubMed

    Cao, Yunjun; Hu, Shujun; Yu, Min; Wang, Tingting; Huang, Shiming; Yan, Shishen; Xu, Mingchun

    2016-07-14

    The charge state of Au clusters deposited on rutile TiO2(110) single crystal surfaces was studied by UHV-FTIRS using CO as a probe. The as-deposited Au clusters on oxidized TiO2(110) surfaces are electrically neutral and are identified by the 2105-2112 cm(-1) vibrational frequency of adsorbed CO depending on Au coverage. Annealing Au/TiO2(110) in a moderate O2 atmosphere at 400 K blue shifts the CO vibrational frequency by only 2-3 cm(-1) both on bare TiO2(110) surfaces and on Au clusters. However, NO exposure blue shifts the CO vibrational frequency by 16-26 cm(-1) for CO adsorbed on Au atoms near the interface and by 3-4 cm(-1) for CO adsorbed on top of Au clusters. As the acceptors of the intense charge transfer from Au, the Oa atoms generated through (NO)2→ N2O + Oa reactions on the small fraction of the bare TiO2(110) surface reside around the Au/TiO2(110) interface perimeter, causing the neutral Au(0) to be cationic Au(δ+) states. This is a new approach to manipulate the charge state of Au clusters on oxide surfaces, which may be helpful in regulating the catalytic redox reactions on oxide supported metal systems.

  6. Decay of the compound nucleus *297118 formed in the reaction 249Cf+48Ca using the dynamical cluster-decay model

    NASA Astrophysics Data System (ADS)

    Sawhney, Gudveen; Kaur, Amandeep; Sharma, Manoj K.; Gupta, Raj K.

    2015-12-01

    The decay of the Z =118 , *297118 compound system, formed in the 249Cf+48Ca reaction, is studied for 2 n , 3 n , and 4 n emissions, by using the dynamical cluster-decay model (DCM) at compound-nucleus (CN) excitation energies ECN*=29.2 and 34.4 MeV. A parallel attempt is made to analyze the 294118 residue nucleus synthesized in the 250Cf+48Ca reaction, subsequent to the 4 n emission from the *298118 nucleus, to check the possibility of isotopic mixing in the 249Cf target used in the 249Cf+48Ca reaction. The possible role of deformations and orientations, together with different nuclear proximity potentials, is also investigated. In addition, an exclusive analysis of the mass distributions of Z =113 to 118 superheavy nuclei, formed in 48Ca -induced reactions, is explored within the DCM. A comparative importance of Prox-1977 and Prox-2000 potentials on the α -decay chains is also investigated, first by using the preformed cluster model (PCM) for spontaneous decays (T =0 ), the PCM (T =0 ), and then analyzing the possible role of excitation energy in PCM, i.e., PCM (T ≠0 ) , via the measured recoil energy of the residual 294118 nucleus left after 3 n emission from *297118 CN. The branching of α decay to the most-probable clusters is also examined for *294118 and its subsequent *290116 and *286114 parents occurring in the α -decay chain. Interestingly, the calculated decay half-lives for some clusters such as 86Kr , 84Se , and 80Ge , referring to doubly magic 208Pb or its neighboring daughter nucleus, present themselves as exciting new possibilities, though to date difficult to observe, of heavy cluster emissions in superheavy mass region.

  7. Analysis of twenty five impurities in uranium matrix by ICP-MS with iron measurement optimized by using reaction collision cell, cold plasma or medium resolution.

    PubMed

    Quemet, Alexandre; Brennetot, Rene; Chevalier, Emilie; Prian, Edwina; Laridon, Anne-Laure; Mariet, Clarisse; Fichet, Pascal; Laszak, Ivan; Goutelard, Florence

    2012-09-15

    An analytical procedure was developed to determine the concentration of 25 impurities (Li, Be, Ti, V, Cr, Mn, Fe, Co, Ni, Cu, Zn, Zr, Mo, Ag, Cd, In, Sm, Eu, Gd, Dy, W, Pb, Bi and Th) in a uranium matrix using the quadrupole inductively coupled plasma mass spectrometry (Q-ICP-MS). The dissolution of U(3)O(8) powder was made with a mixture of hydrochloric acid and nitric acid. Then, a selective separation of uranium using the UTEVA column was used before measurement by Q-ICP-MS. The procedure developed was verified using the Certified Reference Material "Morille". The analytical results agree well except for 5 elements where values are underestimated (Li, Be, In, Pb and Bi). Among the list of impurities, iron was particularly investigated because it is well known that this element possesses a polyatomic interference that increases the detection limit. A comparison between iron detection limits obtained with different methods was performed. Iron polyatomic interference was at least reduced, or at best entirely resolved in some cases, by using the cold plasma or the collision/reaction cell with several gases (He, NH(3) and CH(4)). High-resolution ICP-MS was used to compare the results obtained. A detection limit as low as 8 ng L(-1) was achieved. PMID:22967543

  8. Classical trajectory simulation of the cluster-atom association reaction I-Arn+I --> I2+nAr. I. Capture of iodine by the I(Ar)12 cluster

    NASA Astrophysics Data System (ADS)

    Hu, Xiche; Martens, Craig C.

    1993-06-01

    The atom-cluster association reaction I(Ar)n+I→I2+nAr (n=12) is studied theoretically as a prototypical model of the effect of microscopic solvation on reaction dynamics. Classical trajectory methods are employed to model the dynamics. This paper focuses on the initial capture of I by the I(Ar)12 cluster. Two distinct minimum energy configurations for I(Ar)12 are considered: Ar6(I)Ar6, an icosahedron with I located at the center of the cluster; and IAr12, an icosahedron with I replacing one of the vertex Ar atoms. Both the structure and the temperature dependence of the capture cross section are investigated. Capture rate constants at temperatures of 10 and 30 K are computed. Capture cross sections for Ar6(I)Ar6+I predicted by a Langevin model agree well with those computed by classical trajectory simulation, revealing that the capture process under investigation is determined by the long range interaction potential. In comparison with its gas phase counterpart I+I, Ar6(I)Ar6+I has a much larger capture cross section. One of the most important roles played by the microscopic solvation of chemical reactants in clusters is this enhancement of the cross section for the initial capture process.

  9. Methane activation by cobalt cluster cations, Co{sub n}{sup +} (n=2-16): Reaction mechanisms and thermochemistry of cluster-CH{sub x} (x=0-3) complexes

    SciTech Connect

    Citir, Murat; Liu Fuyi; Armentrout, P. B.

    2009-02-07

    The kinetic energy dependences of the reactions of Co{sub n}{sup +} (n=2-16) with CD{sub 4} are studied in a guided ion beam tandem mass spectrometer over the energy range of 0-10 eV. The main products are hydride formation, Co{sub n}D{sup +}, dehydrogenation to form Co{sub n}CD{sub 2}{sup +}, and double dehydrogenation yielding Co{sub n}C{sup +}. These primary products decompose to form secondary and higher order products, Co{sub n}CD{sup +}, Co{sub n-1}D{sup +}, Co{sub n-1}C{sup +}, Co{sub n-1}CD{sup +}, and Co{sub n-1}CD{sub 2}{sup +} at higher energies. Adduct formation of Co{sub n}CD{sub 4}{sup +} is also observed for the largest cluster cations, n{>=}10. In general, the efficiencies of the single and double dehydrogenation processes increase with cluster size, although the hexamer cation shows a reduced reactivity compared to its neighbors. All reactions exhibit thresholds, and cross sections for the various primary and secondary reactions are analyzed to yield reaction thresholds from which bond energies for cobalt cluster cations to D, C, CD, CD{sub 2}, and CD{sub 3} are determined. The relative magnitudes of these bond energies are consistent with simple bond order considerations. Bond energies for larger clusters rapidly reach relatively constant values, which are used to estimate the chemisorption energies of the C, CD, CD{sub 2}, and CD{sub 3} molecular fragments to cobalt surfaces.

  10. Investigating α clustering on the surface of 120Sn via the (p ,p α ) reaction, and the validity of the factorization approximation

    NASA Astrophysics Data System (ADS)

    Yoshida, Kazuki; Minomo, Kosho; Ogata, Kazuyuki

    2016-10-01

    The 120Sn(p ,p α )116Cd reaction at 392 MeV is investigated with the distorted wave impulse approximation (DWIA) framework. We show that this reaction is very peripheral, mainly because of the strong absorption of α by the reaction residue 116Cd, and the α clustering on the nuclear surface can be probed clearly. We investigate also the validity of the so-called factorization approximation that has frequently been used so far. It is shown that the kinematics of α in the nuclear interior region is significantly affected by the distortion of 116Cd, but it has no effect on the reaction observables because of the strong absorption in that region.

  11. Mechanism for the Direct Synthesis of H2O2 on Pd Clusters: Heterolytic Reaction Pathways at the Liquid-Solid Interface.

    PubMed

    Wilson, Neil M; Flaherty, David W

    2016-01-20

    Direct synthesis (H2 + O2 → H2O2) is a promising reaction for producing H2O2, which can replace chlorinated oxidants in industrial processes. The mechanism of this reaction and the reasons for the importance of seemingly unrelated factors (e.g., Pd cluster size and solvent pH) remain unclear despite significant research. We propose a mechanism for H2O2 formation on Pd clusters consistent with steady-state H2O2 and H2O formation rates measured as functions of reactant pressures and temperature and the interpretations of proton concentration effects. H2O2 forms by sequential proton-electron transfer to O2 and OOH surface intermediates, whereas H2O forms by O-O bond rupture within OOH surface species. Direct synthesis, therefore, does not proceed by the Langmuir-Hinshelwood mechanism often invoked. Rather, H2O2 forms by heterolytic reaction pathways resembling the two-electron oxygen reduction reaction (ORR); however, the chemical potential of H2 replaces an external electrical potential as the thermodynamic driving force. Activation enthalpies (ΔH(⧧)) for H2O formation increase by 14 kJ mol(-1) when Pd cluster diameters increase from 0.7 to 7 nm because changes in the electronic structure of Pd surface atoms decrease their propensity to cleave O-O bonds. ΔH(⧧) values for H2O2 remain nearly constant because barriers for proton-electron transfer depend weakly on the coordinative saturation of Pd surface atoms. Collectively, these results provide a self-consistent mechanism, which clarifies many studies in which H2O2 rates and selectivities were shown to depend on the concentration of acid/halide additives and Pd cluster size. These findings will guide the rational design of selective catalysts for direct synthesis.

  12. Mechanism for the Direct Synthesis of H2O2 on Pd Clusters: Heterolytic Reaction Pathways at the Liquid-Solid Interface.

    PubMed

    Wilson, Neil M; Flaherty, David W

    2016-01-20

    Direct synthesis (H2 + O2 → H2O2) is a promising reaction for producing H2O2, which can replace chlorinated oxidants in industrial processes. The mechanism of this reaction and the reasons for the importance of seemingly unrelated factors (e.g., Pd cluster size and solvent pH) remain unclear despite significant research. We propose a mechanism for H2O2 formation on Pd clusters consistent with steady-state H2O2 and H2O formation rates measured as functions of reactant pressures and temperature and the interpretations of proton concentration effects. H2O2 forms by sequential proton-electron transfer to O2 and OOH surface intermediates, whereas H2O forms by O-O bond rupture within OOH surface species. Direct synthesis, therefore, does not proceed by the Langmuir-Hinshelwood mechanism often invoked. Rather, H2O2 forms by heterolytic reaction pathways resembling the two-electron oxygen reduction reaction (ORR); however, the chemical potential of H2 replaces an external electrical potential as the thermodynamic driving force. Activation enthalpies (ΔH(⧧)) for H2O formation increase by 14 kJ mol(-1) when Pd cluster diameters increase from 0.7 to 7 nm because changes in the electronic structure of Pd surface atoms decrease their propensity to cleave O-O bonds. ΔH(⧧) values for H2O2 remain nearly constant because barriers for proton-electron transfer depend weakly on the coordinative saturation of Pd surface atoms. Collectively, these results provide a self-consistent mechanism, which clarifies many studies in which H2O2 rates and selectivities were shown to depend on the concentration of acid/halide additives and Pd cluster size. These findings will guide the rational design of selective catalysts for direct synthesis. PMID:26597848

  13. Synthesis and Ligand-Exchange Reactions of a Tri-Tungsten Cluster with Applications in Biomedical Imaging

    ERIC Educational Resources Information Center

    Noey, Elizabeth; Curtis, Jeff C.; Tam, Sylvia; Pham, David M.; Jones, Ella F.

    2011-01-01

    In this experiment students are exposed to concepts in inorganic synthesis and various spectroscopies as applied to a tri-tungsten cluster with applications in biomedical imaging. The tungsten-acetate cluster, Na[W[superscript 3](mu-O)[subscript 2](CH[superscript 3]COO)[superscript 9

  14. Effects of α-cluster potentials for the O16+O16 fusion reaction and S factor

    NASA Astrophysics Data System (ADS)

    Kocak, G.; Karakoc, M.; Boztosun, I.; Balantekin, A. B.

    2010-02-01

    A joint analysis of the elastic-scattering angular distributions and fusion cross sections together with the S factor for the O16+O16 system near and below the Coulomb barrier is reported. To describe these observables within the framework of the optical model, a comparative study of microscopic α-α double-folding clusters and phenomenological shallow potentials with surface-transparent imaginary parts is performed. Although the phenomenological Woods-Saxon type of shallow real potentials is unable to provide a consistent explanation of these data, the α-α double-folding cluster potential obtained by considering the α-cluster structure of O16 provides a considerable improvement. The α-α double-folding cluster potential also reproduces the normalized resonant energy states of S32 for the N=24 cluster band.

  15. Identification of FX in the heliobacterial reaction center as a [4Fe-4S] cluster with an S = 3/2 ground spin state.

    PubMed

    Heinnickel, Mark; Agalarov, Rufat; Svensen, Nina; Krebs, Carsten; Golbeck, John H

    2006-05-30

    Type I homodimeric reaction centers, particularly the class present in heliobacteria, are not well understood. Even though the primary amino acid sequence of PshA in Heliobacillus mobilis has been shown to contain an F(X) binding site, a functional Fe-S cluster has not been detected by EPR spectroscopy. Recently, we reported that PshB, which contains F(A)- and F(B)-like Fe-S clusters, could be removed from the Heliobacterium modesticaldum reaction center (HbRC), resulting in 15 ms lifetime charge recombination between P798(+) and an unidentified electron acceptor [Heinnickel, M., Shen, G., Agalarov, R., and Golbeck, J. H. (2005) Biochemistry 44, 9950-9960]. We report here that when a HbRC core is incubated with sodium dithionite in the presence of light, the 15 ms charge recombination is replaced with a kinetic transient in the sub-microsecond time domain, consistent with the reduction of this electron acceptor. Concomitantly, a broad and intense EPR signal arises around g = 5 along with a minor set of resonances around g = 2 similar to the spectrum of the [4Fe-4S](+) cluster in the Fe protein of Azotobacter vinelandii nitrogenase, which exists in two conformations having S = (3)/(2) and S = (1)/(2) ground spin states. The Mössbauer spectrum in the as-isolated HbRC core shows that all of the Fe is present in the form of a [4Fe-4S](2+) cluster. After reduction with sodium dithionite in the presence of light, approximately 65% of the Fe appears in the form of a [4Fe-4S](+) cluster; the remainder is in the [4Fe-4S](2+) state. Analysis of the non-heme iron content of HbRC cores indicates an antenna size of 21.6 +/- 1.1 BChl g molecules/P798. The evidence indicates that the HbRC contains a [4Fe-4S] cluster identified as F(X) that is coordinated between the PshA homodimer; in contrast to F(X) in other type I reaction centers, this [4Fe-4S] cluster exhibits an S = (3)/(2) ground spin state. PMID:16716087

  16. Common cold

    MedlinePlus

    ... been tried for colds, such as vitamin C, zinc supplements, and echinacea. Talk to your health care ... nih.gov/pubmed/22962927 . Singh M, Das RR. Zinc for the common cold. Cochrane Database of Systematic ...

  17. Common Cold

    MedlinePlus

    ... News & Events Volunteer NIAID > Health & Research Topics > Common Cold Skip Website Tools Website Tools Print this page ... Help people who are suffering from the common cold by volunteering for NIAID clinical studies on ClinicalTrials. ...

  18. Equilibrium and rate constants, and reaction mechanism of the HF dissociation in the HF(H2O)7 cluster by ab initio rare event simulations.

    PubMed

    Elena, Alin Marin; Meloni, Simone; Ciccotti, Giovanni

    2013-12-12

    We perform restrained hybrid Monte Carlo (MC) simulations to compute the equilibrium constant of the dissociation reaction of HF in HF(H2O)7. We find that the HF is a stronger acid in the cluster than in the bulk, and its acidity is higher at lower T. The latter phenomenon has a vibrational entropic origin, resulting from a counterintuitive balance of intra- and intermolecular terms. We find also a temperature dependence of the reactions mechanism. At low T (≤225 K) the dissociation reaction follows a concerted path, with the H atoms belonging to the relevant hydrogen bond chain moving synchronously. At higher T (300 K), the first two hydrogen atoms move together, forming an intermediate metastable state having the structure of an eigen ion (H9O4(+)), and then the third hydrogen migrates completing the reaction. We also compute the dissociation rate constant, kRP. At very low T (≤75 K) kRP depends strongly on the temperature, whereas it gets almost constant at higher T’s. With respect to the bulk, the HF dissociation in the HF(H2O)7 is about 1 order of magnitude faster. This is due to a lower free energy barrier for the dissociation in the cluster.

  19. Helium Find Thaws the Cold Fusion Trail.

    ERIC Educational Resources Information Center

    Pennisi, E.

    1991-01-01

    Reported is a study of cold fusion in which trace amounts of helium, possible evidence of an actual fusion reaction, were found. Research methodology is detailed. The controversy over the validity of experimental results with cold fusion are reviewed. (CW)

  20. Reactions of metal ions and their clusters in the gas phase using laser ionization--Fourier transform mass spectrometry

    SciTech Connect

    Freiser, B.S.

    1990-09-01

    Carbon clusters of the form C{sub N}{sup {minus}} are observed at least out to N = 30 confirming that cluster formation is occurring in the high pressure waiting room'' of the supersonic cluster source. This can be stated unequivocally, since only up to N = 13 is observed by direct laser desorption of a carbon target in the absence of supersonic expansion. Currently underway is a systematic investigation of a wide variety of M{sup +}-C{sub n}H{sub 2n} species with n = 2--10 and M = first and second row transition metal ions. In addition we will shortly apply this methodology to doubly charged ions and metal cluster ions. All indications are that this area will be highly productive.

  1. Measurement of the Plasma Astrophysical S Factor for the He3(d,p)He4 Reaction in Exploding Molecular Clusters

    NASA Astrophysics Data System (ADS)

    Barbui, M.; Bang, W.; Bonasera, A.; Hagel, K.; Schmidt, K.; Natowitz, J. B.; Burch, R.; Giuliani, G.; Barbarino, M.; Zheng, H.; Dyer, G.; Quevedo, H. J.; Gaul, E.; Bernstein, A. C.; Donovan, M.; Kimura, S.; Mazzocco, M.; Consoli, F.; De Angelis, R.; Andreoli, P.; Ditmire, T.

    2013-08-01

    The plasma astrophysical S factor for the He3(d,p)He4 fusion reaction was measured for the first time at temperatures of few keV, using the interaction of intense ultrafast laser pulses with molecular deuterium clusters mixed with He3 atoms. Different proportions of D2 and He3 or CD4 and He3 were mixed in the gas target in order to allow the measurement of the cross section for the He3(d,p)He4 reaction. The yield of 14.7 MeV protons from the He3(d,p)He4 reaction was measured in order to extract the astrophysical S factor at low energies. Our result is in agreement with other S factor parametrizations found in the literature.

  2. The influence of neutral reagents on the effective recombination energy of the ArN + 2 cluster ion in charge-transfer reactions at thermal energies

    NASA Astrophysics Data System (ADS)

    Tsuji, Masaharu; Matsumura, Ken-ichi; Aizawa, Masato; Funatsu, Tsuyoshi; Nishimura, Yukio

    1995-03-01

    In order to examine the influence of neutral reagents on the effective recombination energy of a simple cluster ion in charge-transfer (CT) reactions at thermal energy, CT reactions of ArN+2 with CH3Cl, CH2Cl2, CO2, and Kr are studied at near-thermal energy by using an ion-beam apparatus. Only CT channels leading to parent ion and/or fragment ions are found for all reagents. The reaction rate constants are (0.72-1.4)×10-9 cm3 s-1, which correspond to 55%-230% of the calculated values from Langevin or averaged dipole oriented theory. The effective recombination energy of ArN+2 in the CT reactions is found to depend on the ionization potentials of reagents. For CH3Cl and CH2Cl2 with lower ionization potentials of 11.27 and 11.35 eV than the effective recombination energy of ArN+2(˜13.5 eV), respectively, CT reactions occur without distortion of ArN+2. On the other hand, for CO2 and Kr with slightly higher ionization potentials of 13.78 and 14.00 eV than that, respectively, the bond length of (Ar-N2)+ slightly expands due to interactions with the reagent to increase the effective recombination energy of ArN+2 and to induce CT reaction.

  3. Formation of stratospheric nitric acid by a hydrated ion cluster reaction: Implications for the effect of energetic particle precipitation on the middle atmosphere

    NASA Astrophysics Data System (ADS)

    Kvissel, O.-K.; Orsolini, Y. J.; Stordal, F.; Isaksen, I. S. A.; Santee, M. L.

    2012-08-01

    In order to improve our understanding of the effects of energetic particle precipitation on the middle atmosphere and in particular upon the nitrogen family and ozone, we have modeled the chemical and dynamical middle atmosphere response to the introduction of a chemical pathway that produces HNO3 by conversion of N2O5 upon hydrated water clusters H+·(H2O)n. We have used an ensemble of simulations with the National Center for Atmospheric Research (NCAR) Whole-Atmosphere Community Climate Model (WACCM) chemistry-climate model. The chemical pathway alters the internal partitioning of the NOy family during winter months in both hemispheres, and ultimately triggers statistically significant changes in the climatological distributions of constituents including: i) a cold season production and loss of HNO3 and N2O5, respectively, and ii) a cold season decrease and increase in NOx/NOy-ratio and O3, respectively, in the polar regions of both hemispheres. We see an improved seasonal evolution of modeled HNO3 compared to satellite observations from Microwave Limb Sounder (MLS), albeit not enough HNO3 is produced at high altitudes. Through O3changes, both temperature and dynamics are affected, allowing for complex chemical-dynamical feedbacks beyond the cold season when the pathway is active. Hence, we also find a NOxpolar increase in spring-to-summer in the southern hemisphere, and in spring in the northern hemisphere. The springtime NOxincrease arises from anomalously strong poleward transport associated with a weaker polar vortex. We argue that the weakening of zonal-mean polar winds down to the lower stratosphere, which is statistically significant at the 0.90 level in spring months in the southern hemisphere, is caused by strengthened planetary waves induced by the middle and sub-polar latitude zonal asymmetries in O3and short-wave heating.

  4. Formation of stratospheric nitric acid by a hydrated ion cluster reaction: chemical and dynamical effects of energetic particle precipitation on the middle atmosphere

    NASA Astrophysics Data System (ADS)

    Kvissel, O. K.; Orsolini, Y. J.; Stordal, F.

    2012-04-01

    In order to Improve our understanding of the effects of energetic particle precipitation upon the nitrogen family (NOy) and ozone (O3), we have modelled the chemical and dynamical middle atmosphere response to the introduction of a chemical pathway that produces nitric acid (HNO3) by conversion of dinitrogen pentoxide (N2O5) upon hydrated water clusters H+•(H2O)n. We have used an ensemble of simulations with the National Center for Atmospheric Research (NCAR) Whole-Atmosphere Community Climate Model (WACCM) chemistry-climate model. The introduced chemical pathway alters the internal partitioning of NOy during winter months in both hemispheres, and ultimately triggers statistically significant changes in the climatological distributions of constituents including: i) a cold season production of HNO3 with a corresponding loss of N2O5, and ii) a cold season decrease in NOx/NOy-ratio and an increase of O3, in polar regions. We see an improved seasonal evolution of modelled HNO3 compared to satellite observations from Microwave Limb Sounder (MLS), albeit not enough HNO3 is produced at high altitudes. Through O3 changes, both temperature and dynamics are affected, allowing for complex chemical-dynamical feedbacks beyond the cold season when the introduced pathway is active. Hence, we also find a NOx polar increase in spring-to-summer in the SH, and in spring in the NH. The springtime NOx increase arises from anomalously strong poleward transport associated with a weaker polar vortex. In the southern hemisphere, a statistical significant weakening of the stratospheric jet is altered down to the lower stratosphere, and we argue that it is caused by strengthened planetary waves induced by mid-latitude zonal asymmetries in O3 and short-wave heating.

  5. Gold atomic clusters extracting the valence electrons to shield the carbon monoxide passivation on near-monolayer core-shell nanocatalysts in methanol oxidation reactions.

    PubMed

    Chen, Tsan-Yao; Li, Hong Dao; Lee, Guo-Wei; Huang, Po-Chun; Yang, Po-Wei; Liu, Yu-Ting; Liao, Yen-Fa; Jeng, Horng-Tay; Lin, Deng-Sung; Lin, Tsang-Lang

    2015-06-21

    Atomic-scale gold clusters were intercalated at the inter-facet corner sites of Pt-shell Ru-core nanocatalysts with near-monolayer shell thickness. We demonstrated that these unique clusters could serve as a drain of valence electrons in the kink region of the core-shell heterojunction. As jointly revealed by density functional theory calculations and valence band spectra, these Au clusters extract core-level electrons to the valence band. They prevent corrosion due to protonation and enhance the tolerance of CO by increasing the electronegativity at the outermost surface of the NCs during the methanol oxidation reaction (MOR). In these circumstances, the retained current density of Pt-shell Ru-core NCs is doubled in a long-term (2 hours) MOR at a fixed voltage (0.5 V vs. SCE) by intercalating these sub-nanometer gold clusters. Such novel structural confinement provides a possible strategy for developing direct-methanol fuel cell (DMFC) modules with high power and stability.

  6. Si-rich W silicide films composed of W-atom-encapsulated Si clusters deposited using gas-phase reactions of WF6 with SiH4

    NASA Astrophysics Data System (ADS)

    Okada, Naoya; Uchida, Noriyuki; Kanayama, Toshihiko

    2016-02-01

    We formed Si-rich W silicide films composed of Sin clusters, each of which encapsulates a W atom (WSin clusters with 8 < n ≤ ˜ 12), by using a gas-phase reaction between WF6 and SiH4 in a hot-wall reactor. The hydrogenated WSinHx clusters with reduced F concentration were synthesized in a heated gas phase and subsequently deposited on a substrate heated to 350-420 °C, where they dehydrogenated and coalesced into the film. Under a gas pressure of SiH4 high enough for the WSinHx reactant to collide a sufficient number of times with SiH4 molecules before reaching the substrate, the resulting film was composed of WSin clusters with a uniform n, which was determined by the gas temperature. The formed films were amorphous semiconductors with an optical gap of ˜0.8-1.5 eV and an electrical mobility gap of ˜0.05-0.12 eV, both of which increased as n increased from 8 to 12. We attribute this dependence to the reduction of randomness in the Si network as n increased, which decreased the densities of band tail states and localized states.

  7. The cold reading technique.

    PubMed

    Dutton, D L

    1988-04-15

    For many people, belief in the paranormal derives from personal experience of face-to-face interviews with astrologers, palm readers, aura and Tarot readers, and spirit mediums. These encounters typically involve cold reading, a process in which a reader makes calculated guesses about a client's background and problems and, depending on the reaction, elaborates a reading which seems to the client so uniquely appropriate that it carries with it the illusion of having been produced by paranormal means. The cold reading process is shown to depend initially on the Barnum effect, the tendency for people to embrace generalized personality descriptions as idiosyncratically their own. Psychological research into the Barnum effect is critically reviewed, and uses of the effect by a professional magician are described. This is followed by detailed analysis of the cold reading performances of a spirit medium. Future research should investigate the degree to which cold readers may have convinced themselves that they actually possess psychic or paranormal abilities.

  8. The status of cold fusion

    NASA Astrophysics Data System (ADS)

    Storms, E.

    This report attempts to update the status of the phenomenon of cold fusion. The new field is continuing to grow as a variety of nuclear reactions are discovered to occur in a variety of chemical environments at modest temperatures. However, it must be cautioned that most scientists consider cold fusion as something akin to UFO's, ESP, and numerology.

  9. Clumpy cold dark matter

    NASA Technical Reports Server (NTRS)

    Silk, Joseph; Stebbins, Albert

    1993-01-01

    A study is conducted of cold dark matter (CDM) models in which clumpiness will inhere, using cosmic strings and textures suited to galaxy formation. CDM clumps of 10 million solar mass/cu pc density are generated at about z(eq) redshift, with a sizable fraction surviving. Observable implications encompass dark matter cores in globular clusters and in galactic nuclei. Results from terrestrial dark matter detection experiments may be affected by clumpiness in the Galactic halo.

  10. Clustering effects in fusion evaporation reactions with light even-even N = Z nuclei. The 24Mg and 28Si cases

    NASA Astrophysics Data System (ADS)

    Morelli, L.; Baiocco, G.; D'Agostino, M.; Gulminelli, F.; Bruno, M.; Cinausero, M.; Degerlier, M.; Fabris, D.; Gramegna, F.; Marchi, T.; Barlini, S.; Bini, M.; Casini, G.; Gelli, N.; Olmi, A.; Pasquali, G.; Piantelli, S.

    2015-10-01

    In the recent years, cluster structures have been evidenced in many ground and excited states of light nuclei [1, 2]. Within the currently ongoing experimental campaign by the NUCL-EX collaboration we have measured the 12C+12C and 14N+10B reactions at 95 MeV and 80 MeV respectively, and compared experimental data corresponding to complete fusion of target and projectile into an excited 24Mg nucleus to the results of a pure statistical model[3, 4]. We found clear deviations from the statstical model in the decay pattern: emission channels involving multiple α particles are more probable than expected from a purely statistical behavior. To continue the investigation on light systems, we have recentely measured the 16O+12C reaction at three different beam energies, namely Ebeam = 90, 110 and 130 MeV.

  11. Clustering effects in fusion evaporation reactions with light even-even N = Z nuclei. The {sup 24}Mg and {sup 28}Si cases

    SciTech Connect

    Morelli, L. D’Agostino, M.; Bruno, M.; Baiocco, G.; Gulminelli, F.; Cinausero, M.; Gramegna, F.; Marchi, T.; Degerlier, M.; Fabris, D.; Barlini, S.; Bini, M.; Casini, G.; Gelli, N.; Olmi, A.; Pasquali, G.; Piantelli, S.

    2015-10-15

    In the recent years, cluster structures have been evidenced in many ground and excited states of light nuclei [1, 2]. Within the currently ongoing experimental campaign by the NUCL-EX collaboration we have measured the {sup 12}C+{sup 12}C and {sup 14}N+{sup 10}B reactions at 95 MeV and 80 MeV respectively, and compared experimental data corresponding to complete fusion of target and projectile into an excited {sup 24}Mg nucleus to the results of a pure statistical model[3, 4]. We found clear deviations from the statstical model in the decay pattern: emission channels involving multiple α particles are more probable than expected from a purely statistical behavior. To continue the investigation on light systems, we have recentely measured the {sup 16}O+{sup 12}C reaction at three different beam energies, namely E{sub beam} = 90, 110 and 130 MeV.

  12. FA-SIFT study of reactions of protonated water and ethanol clusters with [alpha]-pinene and linalool in view of their selective detection by CIMS

    NASA Astrophysics Data System (ADS)

    Dhooghe, F.; Amelynck, C.; Rimetz-Planchon, J.; Schoon, N.; Vanhaecke, F.

    2010-02-01

    The use of protonated water clusters and protonated ethanol clusters as reagent ions has been evaluated for the resolution of an interference encountered in CIMS when measuring monoterpenes (C10H16) and linalool (C10H18O) simultaneously. To this end, the reactions of H3O+.(H2O)n (n = 1-3), (C2H5OH)mH+ (m = 1-3) and (C2H5OH.H2O)H+ with [alpha]-pinene and linalool have been characterized in a flowing afterglow-selected ion flow tube (FA-SIFT) instrument at a SIFT He buffer gas pressure of 1.43 hPa and a temperature of 298 K. All reactions with linalool were found to occur at the collision limit. The reaction of (C2H5OH)2H+ with [alpha]-pinene proceeds at half the collision rate and both the reactions of (C2H5OH)3H+ and H3O+.(H2O)3 with [alpha]-pinene have a very low rate constant. All other reactions involving [alpha]-pinene proceed at the collision rate. The reactions of H3O+.H2O, H3O+.(H2O)2, C2H5OH2+, (C2H5OH.H2O)H+ and (C2H5OH)2H+ with [alpha]-pinene mainly proceed by proton transfer. Additionally, ligand switching channels have been observed for the reactions of (C2H5OH)2H+ and H3O+.(H2O)2 with [alpha]-pinene. Protonated linalool was observed as a minor product for the reactions of (C2H5OH.H2O)H+ and H3O+.(H2O)n (n = 1-3) with linalool. For all linalool reactions, a contribution of the dissociative proton transfer product at m/z 137 was found and this ion was the main product ion for the reactions with H3O+.H2O, C2H5OH2+ and (C2H5OH.H2O)H+. For the (C2H5OH.H2O)H+/linalool reaction, ligand switching with both water and ethanol has been observed. Major ligand switching channels were observed for the reactions of (C2H5OH)2H+, (C2H5OH)3H+ and H3O+.(H2O)2 with linalool. Also, for the H3O+.(H2O)3/linalool reaction, several ligand switching channels have been observed. These results are discussed in view of their applicability for the selective detection of monoterpenes and linalool with CIMS instrumentation such as SIFT-MS, PTR-MS and APCI-MS.

  13. The roles of coenzyme A in the pyruvate:ferredoxin oxidoreductase reaction mechanism: rate enhancement of electron transfer from a radical intermediate to an iron-sulfur cluster.

    PubMed

    Furdui, Cristina; Ragsdale, Stephen W

    2002-08-01

    Pyruvate:ferredoxin oxidoreductase (PFOR) catalyzes the coenzyme A (CoA)-dependent oxidative decarboxylation of pyruvate. In many autotrophic anaerobes, PFOR links the Wood-Ljungdahl pathway to glycolysis and to cell carbon synthesis. Herein, we cloned and sequenced the M. thermoacetica PFOR, demonstrating strong structural homology with the structurally characterized D. africanus PFOR, including the presence of three [4Fe-4S] clusters per monomeric unit. The PFOR reaction includes a hydroxyethyl-thiamin pyrophosphate (HE-TPP) radical intermediate, which forms rapidly after PFOR reacts with pyruvate. This step precedes electron transfer from the HE-TPP radical intermediate to an intramolecular [4Fe-4S] cluster. We show that CoA increases the rate of this redox reaction by 10(5)-fold. Analysis by Marcus theory indicates that, in the absence of CoA, this is a true electron-transfer reaction; however, in its presence, electron transfer is gated by an adiabatic event. Analysis by the Eyring equation indicates that entropic effects dominate this rate enhancement. Our results indicate that the energy of binding CoA contributes minimally to the rate increase since the thiol group of CoA lends over 40 kJ/mol to the reaction, whereas components of CoA that afford most of the cofactor's binding energy contribute minimally. Major conformational changes also do not appear to explain the rate enhancement. We propose several ways that CoA can accomplish this rate increase, including formation of a highly reducing adduct with the HE-TPP radical to increase the driving force for electron transfer. We also consider the possibility that CoA itself forms part of the electron-transfer pathway. PMID:12146957

  14. Elementary steps of the catalytic NOx reduction with NH3: Cluster studies on reaction paths and energetics at vanadium oxide substrate

    NASA Astrophysics Data System (ADS)

    Gruber, M.; Hermann, K.

    2013-12-01

    We consider different reaction scenarios of the selective catalytic reduction (SCR) of NO in the presence of ammonia at perfect as well as reduced vanadium oxide surfaces modeled by V2O5(010) without and with oxygen vacancies. Geometric and energetic details as well as reaction paths are evaluated using extended cluster models together with density-functional theory. Based on earlier work of adsorption, diffusion, and reaction of the different surface species participating in the SCR we confirm that at Brønsted acid sites (i.e., OH groups) of the perfect oxide surface nitrosamide, NH2NO, forms a stable intermediate. Here adsorption of NH3 results in NH4 surface species which reacts with gas phase NO to produce the intermediate. Nitrosamide is also found as intermediate of the SCR near Lewis acid sites of the reduced oxide surface (i.e., near oxygen vacancies). However, here the adsorbed NH3 species is dehydrogenated to surface NH2 before it reacts with gas phase NO to produce the intermediate. The calculations suggest that reaction barriers for the SCR are overall higher near Brønsted acid sites of the perfect surface compared with Lewis acid sites of the reduced surface, examined for the first time in this work. The theoretical results are consistent with experimental findings and confirm the importance of surface reduction for the SCR process.

  15. Quantum Chemical Insight into the LiF Interlayer Effects in Organic Electronics: Reactions between Al Atom and LiF Clusters.

    PubMed

    Wu, Shui-Xing; Kan, Yu-He; Li, Hai-Bin; Zhao, Liang; Wu, Yong; Su, Zhong-Min

    2015-08-01

    It is well known that the aluminum cathode performs dramatically better when a thin lithium fluoride (LiF) layer inserted in organic electronic devices. The doping effect induced by the librated Li atom via the chemical reactions producing AlF3 as byproduct was previously proposed as one of possible mechanisms. However, the underlying mechanism discussion is quite complicated and not fully understood so far, although the LiF interlayer is widely used. In this paper, we perform theoretical calculations to consider the reactions between an aluminum atom and distinct LiF clusters. The reaction pathways of the Al-(LiF)n (n = 2, 4, 16) systems were discovered and the energetics were theoretically evaluated. The release of Li atom and the formation of AlF3 were found in two different chemical reaction routes. The undissociated Al-(LiF)n systems have chances to change to some structures with loosely bound electrons. Our findings about the interacted Al-(LiF)n systems reveal new insights into the LiF interlayer effects in organic electronics applications.

  16. Elementary steps of the catalytic NO{sub x} reduction with NH{sub 3}: Cluster studies on reaction paths and energetics at vanadium oxide substrate

    SciTech Connect

    Gruber, M.; Hermann, K.

    2013-12-28

    We consider different reaction scenarios of the selective catalytic reduction (SCR) of NO in the presence of ammonia at perfect as well as reduced vanadium oxide surfaces modeled by V{sub 2}O{sub 5}(010) without and with oxygen vacancies. Geometric and energetic details as well as reaction paths are evaluated using extended cluster models together with density-functional theory. Based on earlier work of adsorption, diffusion, and reaction of the different surface species participating in the SCR we confirm that at Brønsted acid sites (i.e., OH groups) of the perfect oxide surface nitrosamide, NH{sub 2}NO, forms a stable intermediate. Here adsorption of NH{sub 3} results in NH{sub 4} surface species which reacts with gas phase NO to produce the intermediate. Nitrosamide is also found as intermediate of the SCR near Lewis acid sites of the reduced oxide surface (i.e., near oxygen vacancies). However, here the adsorbed NH{sub 3} species is dehydrogenated to surface NH{sub 2} before it reacts with gas phase NO to produce the intermediate. The calculations suggest that reaction barriers for the SCR are overall higher near Brønsted acid sites of the perfect surface compared with Lewis acid sites of the reduced surface, examined for the first time in this work. The theoretical results are consistent with experimental findings and confirm the importance of surface reduction for the SCR process.

  17. Clusters: Elucidating the dynamics of ionization events and ensuing reactions in the condensed phase. Final technical report, March 1, 1991--February 28, 1994

    SciTech Connect

    Castleman, A.W. Jr.

    1994-10-01

    Chemical reactions that proceed following either a photophysical or ionizing event, are directly influenced by the mechanisms of energy transfer and dissipation away from the site of absorption. Neighboring solvent or solute molecules can affect this by collisional deactivation (removal of energy), through effects in which dissociating molecules are kept in relatively close proximity for comparatively long periods of time due to the presence of the solvent, and in other ways where the solvent influences the energetics of the reaction coordinate. Research on clusters offers promise of elucidating the molecular details of these processes. The studies have focused on providing critical information on problems in radiation biology through investigations of reactions of molecules which simulate functional groups in biological systems, as they proceed following the absorption of ionizing radiation. The overall objective of the program has been to undertake basic underpinning research that contributes to a quantification of the behavior of radionuclides and pollutants associated with advanced energy activities after these materials emanate from their source and are transferred through the environment to the biota and human receptor. Some of the studies have dealt with the interaction of electromagnetic radiation with matter yielding new data that finds value in assessing photoinduced transformation of pollutants including reactions which take place on aerosol particles, as well as those of species which become transformed into aerosols as a result of their chemical and physical interactions.

  18. Low energy (0-4 eV) electron impact to N(2)O clusters: Dissociative electron attachment, ion-molecule reactions, and vibrational Feshbach resonances.

    PubMed

    Vizcaino, Violaine; Denifl, Stephan; Märk, Tilmann D; Illenberger, Eugen; Scheier, Paul

    2010-10-21

    Electron attachment to clusters of N(2)O in the energy range of 0-4 eV yields the ionic complexes [(N(2)O)(n)O](-), [(N(2)O)(n)NO](-), and (N(2)O)(n) (-) . The shape of the ion yields of the three homologous series differs substantially reflecting the different formation mechanisms. While the generation of [(N(2)O)(n)O](-) can be assigned to dissociative electron attachment (DEA) of an individual N(2)O molecule in the target cluster, the formation of [(N(2)O)(n)NO](-) is interpreted via a sequence of ion molecule reactions involving the formation of O(-) via DEA in the first step. The nondecomposed complexes (N(2)O)(n) (-) are preferentially formed at very low energies (below 0.5 eV) as a result of intramolecular stabilization of a diffuse molecular anion at low energy. The ion yields of [(N(2)O)(n)O](-) and (N(2)O)(n) (-) versus electron energy show sharp peaks at the threshold region, which can be assigned to vibrational Feshbach resonances mediated by the diffuse anion state as already observed in an ultrahigh resolution electron attachment study of N(2)O clusters [E. Leber, S. Barsotti, J. Bömmels, J. M. Weber, I. I. Fabrikant, M.-W. Ruf, and H. Hotop, Chem. Phys. Lett. 325, 345 (2000)]. PMID:20969408

  19. Cold injuries.

    PubMed

    Kruse, R J

    1995-01-01

    There are two categories of cold injury. The first is hypothermia, which is a systemic injury to cold, and the second is frostbite, which is a local injury. Throughout history, entire armies, from George Washington to the Germans on the Russian Front in World War II, have fallen prey to prolonged cold exposure. Cold injury is common and can occur in all seasons if ambient temperature is lower than the core body temperature. In the 1985 Boston Marathon, even though it was 76 degrees and sunny, there were 75 runners treated for hypothermia. In general, humans adapt poorly to cold exposure. Children are at particular risk because of their relatively greater surface area/body mass ratio, causing them to cool even more rapidly than adults. Because of this, the human's best defense against cold injury is to limit his/her exposure to cold and to dress appropriately. If cold injury has occurred and is mild, often simple passive rewarming such as dry blankets and a warm room are sufficient treatment.

  20. On the Critical Effect of the Metal (Mo vs. W) on the [3+2] Cycloaddition Reaction of M3 S4 Clusters with Alkynes: Insights from Experiment and Theory.

    PubMed

    Bustelo, Emilio; Gushchin, Artem L; Fernández-Trujillo, M Jesús; Basallote, Manuel G; Algarra, Andrés G

    2015-10-12

    Whereas the cluster [Mo3 S4 (acac)3 (py)3 ](+) ([1](+) , acac=acetylacetonate, py=pyridine) reacts with a variety of alkynes, the cluster [W3 S4 (acac)3 (py)3 ](+) ([2](+) ) remains unaffected under the same conditions. The reactions of cluster [1](+) show polyphasic kinetics, and in all cases clusters bearing a bridging dithiolene moiety are formed in the first step through the concerted [3+2] cycloaddition between the C≡C atoms of the alkyne and a Mo(μ-S)2 moiety of the cluster. A computational study has been conducted to analyze the effect of the metal on these concerted [3+2] cycloaddition reactions. The calculations suggest that the reactions of cluster [2](+) with alkynes feature ΔG(≠) values only slightly larger than its molybdenum analogue, however, the differences in the reaction free energies between both metal clusters and the same alkyne reach up to approximately 10 kcal mol(-1) , therefore indicating that the differences in the reactivity are essentially thermodynamic. The activation strain model (ASM) has been used to get more insights into the critical effect of the metal center in these cycloadditions, and the results reveal that the change in reactivity is entirely explained on the basis of the differences in the interaction energies Eint between the cluster and the alkyne. Further decomposition of the Eint values through the localized molecular orbital-energy decomposition analysis (LMO-EDA) indicates that substitution of the Mo atoms in cluster [1](+) by W induces changes in the electronic structure of the cluster that result in weaker intra- and inter-fragment orbital interactions.

  1. A multi purpose source chamber at the PLEIADES beamline at SOLEIL for spectroscopic studies of isolated species: Cold molecules, clusters, and nanoparticles

    SciTech Connect

    Lindblad, Andreas; Söderström, Johan; Nicolas, Christophe; Robert, Emmanuel; Miron, Catalin

    2013-11-15

    This paper describes the philosophy and design goals regarding the construction of a versatile sample environment: a source capable of producing beams of atoms, molecules, clusters, and nanoparticles in view of studying their interaction with short wavelength (vacuum ultraviolet and x-ray) synchrotron radiation. In the design, specific care has been taken of (a) the use standard components, (b) ensuring modularity, i.e., that swiftly switching between different experimental configurations was possible. To demonstrate the efficiency of the design, proof-of-principle experiments have been conducted by recording x-ray absorption and photoelectron spectra from isolated nanoparticles (SiO{sub 2}) and free mixed clusters (Ar/Xe). The results from those experiments are showcased and briefly discussed.

  2. A multi purpose source chamber at the PLEIADES beamline at SOLEIL for spectroscopic studies of isolated species: cold molecules, clusters, and nanoparticles.

    PubMed

    Lindblad, Andreas; Söderström, Johan; Nicolas, Christophe; Robert, Emmanuel; Miron, Catalin

    2013-11-01

    This paper describes the philosophy and design goals regarding the construction of a versatile sample environment: a source capable of producing beams of atoms, molecules, clusters, and nanoparticles in view of studying their interaction with short wavelength (vacuum ultraviolet and x-ray) synchrotron radiation. In the design, specific care has been taken of (a) the use standard components, (b) ensuring modularity, i.e., that swiftly switching between different experimental configurations was possible. To demonstrate the efficiency of the design, proof-of-principle experiments have been conducted by recording x-ray absorption and photoelectron spectra from isolated nanoparticles (SiO2) and free mixed clusters (Ar/Xe). The results from those experiments are showcased and briefly discussed.

  3. Buffered-cluster method for hybridization of density-functional theory and classical molecular dynamics: Application to stress-dependent reaction of H2 O on nanostructured Si

    NASA Astrophysics Data System (ADS)

    Ogata, Shuji

    2005-07-01

    A hybrid density-functional-theory and molecular-dynamics simulation scheme was proposed [Ogata , Comput. Phys. Commun. 149, 30 (2002)] in which a total atomistic system is partitioned, in real space, into the quantum (QM) region whose electronic structure is calculated with the density-functional theory and the classical (CL) region treated with the interatomic potential for the molecular dynamics. In the scheme, the link-atom method that uses hydrogen atoms for termination of the QM atoms is adopted to couple the QM and CL regions mechanically. A proper choice of the QM region that retains the original atomic configuration is limited in the link-atom method. In this paper we propose a coupling method, called the buffered-cluster method, with the introduction of buffer atoms to minimize possible effects arising from the finiteness of the size of the QM region. The buffered-cluster method is applicable to any reasonable choice of the QM region in a wide range of ceramics and semiconductor materials. The accuracy of the buffered-cluster method is analyzed by applying it to crystalline Si and alumina systems, to find little differences around the QM-CL boundaries in both relaxed configuration of the atoms and recoil forces on them due to their trial displacements. The insensitivity of the atomic forces to the choice of the QM region in the buffered-cluster method makes it possible to rechoose the QM region adaptively during the hybrid simulation run for fast computation. The hybrid simulation scheme with the buffered-cluster method is applied to analyze adsorption and dissociation processes of an H2O molecule on a notched Si-slab system with or without strains, in which the H2O interacts with the notch-bottom facet of Si(100)-(2×1) dimer structure. The QM region is chosen in the system to cover the reaction region. Energy variations along the reaction paths show that the adsorption energy and the dissociation barrier of the H2O molecule on the Si(100) facet in the

  4. The "missing link": the gas-phase generation of platinum-methylidyne clusters Pt(n)CH+ (n=1, 2) and their reactions with hydrocarbons and ammonia.

    PubMed

    Butschke, Burkhard; Schwarz, Helmut

    2011-10-10

    Electrospray ionization (ESI) of tetrameric platinum(II) acetate, [Pt(4)(CH(3)COO)(8)], in methanol generates the formal platinum(III) dimeric cation [Pt(2)(CH(3)COO)(3)(CH(2)COO)(MeOH)(2)](+), which, upon harsher ionization conditions, sequentially loses the two methanol ligands, CO(2), and CH(2)COO to form the platinum(II) dimer [Pt(2)(CH(3)COO)(2)(CH(3))](+). Next, intramolecular sequential double hydrogen-atom transfer from the methyl group concomitant with the elimination of two acetic acid molecules produces Pt(2)CH(+) from which, upon even harsher conditions, PtCH(+) is eventually generated. This degradation sequence is supported by collision-induced dissociation (CID) experiments, extensive isotope-labeling studies, and DFT calculations. Both PtCH(+) and Pt(2)CH(+) react under thermal conditions with the hydrocarbons C(2)H(n) (n=2, 4, 6) and C(3)H(n) (n=6, 8). While, in ion-molecule reactions of PtCH(+) with C(2) hydrocarbons, the relative rates decrease with increasing n, the opposite trend holds true for Pt(2)CH(+). The Pt(2)CH(+) cluster only sluggishly reacts with C(2)H(2), but with C(2)H(4) and C(2)H(6) dihydrogen loss dominates. The reactions with the latter two substrates were preceded by a complete exchange of all of the hydrogen atoms present in the adduct complex. The PtCH(+) ion is much less selective. In the reactions with C(2)H(2) and C(2)H(4), elimination of H(2) occurs; however, CH(4) formation prevails in the decomposition of the adduct complex that is formed with C(2)H(6). In the reaction with C(2)H(2), in addition to H(2) loss, C(3)H(3)(+) is produced, and this process formally corresponds to the transfer of the cationic methylidyne unit CH(+) to C(2)H(2), accompanied by the release of neutral Pt. In the ion-molecule reactions with the C(3) hydrocarbons C(3)H(6) and C(3)H(8), dihydrogen loss occurs with high selectivity for Pt(2)CH(+), but in the reactions of these substrates with PtCH(+) several reaction routes compete. Finally, in the

  5. Clustering effects in fusion evaporation reactions with light even-even N=Z nuclei. The 24Mg and 28Si cases

    NASA Astrophysics Data System (ADS)

    Morelli, L.; Bruno, M.; D'Agostino, M.; Baiocco, G.; Gulminelli, F.; Cinausero, M.; Degerlier, M.; Fabris, D.; Gramegna, F.; Marchi, T.; Barlini, S.; Bini, M.; Casini, G.; Gelli, N.; Pasquali, G.; Piantelli, S.; Valdrè, S.

    2016-06-01

    In the recent years, cluster structures have been evidenced in many ground and excited states of light nuclei [1, 2]. The decay of highly excited states of 24Mg is studied in fusion evaporation events completely detected in charge in the reactions 12C+12C and 14N+10B at 95 and 80 MeV incident energy, respectively, and compared to the results of a pure statistical model [3, 4]. Inclusive variables are in general well reproduced by the model. We found clear deviations from the statistical model if we select emission channels involving multiple α particles which are more probable than expected from a purely statistical behavior. Data from 12C+12C reaction have been analyzed in order to study the decay of the Hoyle state of 12C* with two different selections: peripheral binary collisions and 6α decay channel in central events. To continue the investigation on light systems, we have recently measured the 16O+12C reaction at three different beam energies, namely Ebeam = 90, 110 and 130 MeV. Preliminary results are presented.

  6. An accurate potential energy surface for the F + H{sub 2} → HF + H reaction by the coupled-cluster method

    SciTech Connect

    Chen, Jun; Sun, Zhigang E-mail: zhangdh@dicp.ac.cn; Zhang, Dong H. E-mail: zhangdh@dicp.ac.cn

    2015-01-14

    A three dimensional potential energy surface for the F + H{sub 2} → HF + H reaction has been computed by the spin unrestricted coupled cluster method with singles, doubles, triples, and perturbative quadruples [UCCSDT(2){sub Q}] using the augmented correlation-consistent polarised valence quadruple zeta basis set for the fluorine atom and the correlation-consistent polarised valence quadruple zeta basis set for the hydrogen atom. All the calculations are based on the restricted open-shell Hartree-Fock orbitals, together with the frozen core approximations, and the UCCSD(T)/complete basis set (CBS) correction term was included. The global potential energy surface was calculated by fitting the sampled ab initio points without any scaling factor for the correlation energy part using a neutral network function method. Extensive dynamics calculations have been carried out on the potential energy surface. The reaction rate constants, integral cross sections, product rotational states distribution, and forward and backward scattering as a function of collision energy of the F + HD → HF + D, F + HD → DF + H, and F + H{sub 2} reaction, were calculated by the time-independent quantum dynamics scattering theory using the new surface. The satisfactory agreement with the reported experimental observations previously demonstrates the accuracy of the new potential energy surface.

  7. Cold intolerance

    MedlinePlus

    Some causes of cold intolerance are: Anemia Anorexia nervosa Blood vessel problems, such as Raynaud phenomenon Chronic severe illness General poor health Underactive thyroid ( hypothyroidism ) Problem with the hypothalamus (a part ...

  8. Cold fusion; Myth versus reality

    SciTech Connect

    Rabinowitz, M. )

    1990-01-01

    Experiments indicate that several different nuclear reactions are taking place. Some of the experiments point to D-D fusion with a cominant tritium channel as one of the reactions. The article notes a similarity between Prometheus and the discoveries of cold fusion.

  9. Effects of low concentrations of O2 and CO on the ion-clustering reactions in the lower ionosphere of Mars

    NASA Technical Reports Server (NTRS)

    Sieck, L. W.; Gorden, R., Jr.; Ausloos, P.

    1973-01-01

    It is demonstrated that under conditions which approximate those of the Martian ionosphere traces of CO and O2 can be effectively incorporated in ion clusters via ion-molecule reaction schemes initiated by the CO2(+) ion. For example, when 0.3% CO is added to CO2, (CO)2(+), and /(CO)2CO2/(+) appear as the major cations (584 A radiation, 300 K). In mixtures containing O2 in addition to CO, (CO2,O2+) and /(CO2)2O2/(+) are important species. A recently proposed mechanism to account for the low abundance of CO and O2 in the Martian atmosphere is discussed in the light of these observations.

  10. Low energy (0-4 eV) electron impact to N{sub 2}O clusters: Dissociative electron attachment, ion-molecule reactions, and vibrational Feshbach resonances

    SciTech Connect

    Vizcaino, Violaine; Denifl, Stephan; Maerk, Tilmann D.; Scheier, Paul; Illenberger, Eugen

    2010-10-21

    Electron attachment to clusters of N{sub 2}O in the energy range of 0-4 eV yields the ionic complexes [(N{sub 2}O){sub n}O]{sup -}, [(N{sub 2}O){sub n}NO]{sup -}, and (N{sub 2}O){sub n}{sup -} . The shape of the ion yields of the three homologous series differs substantially reflecting the different formation mechanisms. While the generation of [(N{sub 2}O){sub n}O]{sup -} can be assigned to dissociative electron attachment (DEA) of an individual N{sub 2}O molecule in the target cluster, the formation of [(N{sub 2}O){sub n}NO]{sup -} is interpreted via a sequence of ion molecule reactions involving the formation of O{sup -} via DEA in the first step. The nondecomposed complexes (N{sub 2}O){sub n}{sup -} are preferentially formed at very low energies (below 0.5 eV) as a result of intramolecular stabilization of a diffuse molecular anion at low energy. The ion yields of [(N{sub 2}O){sub n}O]{sup -} and (N{sub 2}O){sub n}{sup -} versus electron energy show sharp peaks at the threshold region, which can be assigned to vibrational Feshbach resonances mediated by the diffuse anion state as already observed in an ultrahigh resolution electron attachment study of N{sub 2}O clusters [E. Leber, S. Barsotti, J. Boemmels, J. M. Weber, I. I. Fabrikant, M.-W. Ruf, and H. Hotop, Chem. Phys. Lett. 325, 345 (2000)].

  11. Cold nuclear fusion

    SciTech Connect

    Tsyganov, E. N.

    2012-02-15

    Recent accelerator experiments on fusion of various elements have clearly demonstrated that the effective cross-sections of these reactions depend on what material the target particle is placed in. In these experiments, there was a significant increase in the probability of interaction when target nuclei are imbedded in a conducting crystal or are a part of it. These experiments open a new perspective on the problem of so-called cold nuclear fusion.

  12. Cold injuries.

    PubMed

    Long, William B; Edlich, Richard F; Winters, Kathryne L; Britt, L D

    2005-01-01

    Exposure to cold can produce a variety of injuries that occur as a result of man's inability to adapt to cold. These injuries can be divided into localized injury to a body part, systemic hypothermia, or a combination of both. Body temperature may fall as a result of heat loss by radiation, evaporation, conduction, and convection. Hypothermia or systemic cold injury occurs when the core body temperature has decreased to 35 degrees C (95 degrees F) or less. The causes of hypothermia are either primary or secondary. Primary, or accidental, hypothermia occurs in healthy individuals inadequately clothed and exposed to severe cooling. In secondary hypothermia, another illness predisposes the individual to accidental hypothermia. Hypothermia affects multiple organs with symptoms of hypothermia that vary according to the severity of cold injury. The diagnosis of hypothermia is easy if the patient is a mountaineer who is stranded in cold weather. However, it may be more difficult in an elderly patient who has been exposed to a cold environment. In either case, the rectal temperature should be checked with a low-reading thermometer. The general principals of prehospital management are to (1) prevent further heat loss, (2) rewarm the body core temperature in advance of the shell, and (3) avoid precipitating ventricular fibrillation. There are two general techniques of rewarming--passive and active. The mechanisms of peripheral cold injury can be divided into phenomena that affect cells and extracellular fluids (direct effects) and those that disrupt the function of the organized tissue and the integrity of the circulation (indirect effects). Generally, no serious damage is seen until tissue freezing occurs. The mildest form of peripheral cold injury is frostnip. Chilblains represent a more severe form of cold injury than frostnip and occur after exposure to nonfreezing temperatures and damp conditions. Immersion (trench) foot, a disease of the sympathetic nerves and blood

  13. Cold injuries.

    PubMed

    Long, William B; Edlich, Richard F; Winters, Kathryne L; Britt, L D

    2005-01-01

    Exposure to cold can produce a variety of injuries that occur as a result of man's inability to adapt to cold. These injuries can be divided into localized injury to a body part, systemic hypothermia, or a combination of both. Body temperature may fall as a result of heat loss by radiation, evaporation, conduction, and convection. Hypothermia or systemic cold injury occurs when the core body temperature has decreased to 35 degrees C (95 degrees F) or less. The causes of hypothermia are either primary or secondary. Primary, or accidental, hypothermia occurs in healthy individuals inadequately clothed and exposed to severe cooling. In secondary hypothermia, another illness predisposes the individual to accidental hypothermia. Hypothermia affects multiple organs with symptoms of hypothermia that vary according to the severity of cold injury. The diagnosis of hypothermia is easy if the patient is a mountaineer who is stranded in cold weather. However, it may be more difficult in an elderly patient who has been exposed to a cold environment. In either case, the rectal temperature should be checked with a low-reading thermometer. The general principals of prehospital management are to (1) prevent further heat loss, (2) rewarm the body core temperature in advance of the shell, and (3) avoid precipitating ventricular fibrillation. There are two general techniques of rewarming--passive and active. The mechanisms of peripheral cold injury can be divided into phenomena that affect cells and extracellular fluids (direct effects) and those that disrupt the function of the organized tissue and the integrity of the circulation (indirect effects). Generally, no serious damage is seen until tissue freezing occurs. The mildest form of peripheral cold injury is frostnip. Chilblains represent a more severe form of cold injury than frostnip and occur after exposure to nonfreezing temperatures and damp conditions. Immersion (trench) foot, a disease of the sympathetic nerves and blood

  14. 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

  15. Hydrogen evolution reaction catalyst

    DOEpatents

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

    2016-02-09

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

  16. Photoionization of cold gas phase coronene and its clusters: Autoionization resonances in monomer, dimer, and trimer and electronic structure of monomer cation

    NASA Astrophysics Data System (ADS)

    Bréchignac, Philippe; Garcia, Gustavo A.; Falvo, Cyril; Joblin, Christine; Kokkin, Damian; Bonnamy, Anthony; Parneix, Pascal; Pino, Thomas; Pirali, Olivier; Mulas, Giacomo; Nahon, Laurent

    2014-10-01

    Polycyclic aromatic hydrocarbons (PAHs) are key species encountered in a large variety of environments such as the Interstellar Medium (ISM) and in combustion media. Their UV spectroscopy and photodynamics in neutral and cationic forms are important to investigate in order to learn about their structure, formation mechanisms, and reactivity. Here, we report an experimental photoelectron-photoion coincidence study of a prototypical PAH molecule, coronene, and its small clusters, in a molecular beam using the vacuum ultraviolet (VUV) photons provided by the SOLEIL synchrotron facility. Mass-selected high resolution threshold photoelectron (TPES) and total ion yield spectra were obtained and analyzed in detail. Intense series of autoionizing resonances have been characterized as originating from the monomer, dimer, and trimer neutral species, which may be used as spectral fingerprints for their detection in the ISM by VUV absorption spectroscopy. Finally, a full description of the electronic structure of the monomer cation was made and discussed in detail in relation to previous spectroscopic optical absorption data. Tentative vibrational assignments in the near-threshold TPES spectrum of the monomer have been made with the support of a theoretical approach based on density functional theory.

  17. Photoionization of cold gas phase coronene and its clusters: Autoionization resonances in monomer, dimer, and trimer and electronic structure of monomer cation

    SciTech Connect

    Bréchignac, Philippe Falvo, Cyril; Parneix, Pascal; Pino, Thomas; Pirali, Olivier; Garcia, Gustavo A.; Nahon, Laurent; Joblin, Christine; Kokkin, Damian; Bonnamy, Anthony; Mulas, Giacomo

    2014-10-28

    Polycyclic aromatic hydrocarbons (PAHs) are key species encountered in a large variety of environments such as the Interstellar Medium (ISM) and in combustion media. Their UV spectroscopy and photodynamics in neutral and cationic forms are important to investigate in order to learn about their structure, formation mechanisms, and reactivity. Here, we report an experimental photoelectron-photoion coincidence study of a prototypical PAH molecule, coronene, and its small clusters, in a molecular beam using the vacuum ultraviolet (VUV) photons provided by the SOLEIL synchrotron facility. Mass-selected high resolution threshold photoelectron (TPES) and total ion yield spectra were obtained and analyzed in detail. Intense series of autoionizing resonances have been characterized as originating from the monomer, dimer, and trimer neutral species, which may be used as spectral fingerprints for their detection in the ISM by VUV absorption spectroscopy. Finally, a full description of the electronic structure of the monomer cation was made and discussed in detail in relation to previous spectroscopic optical absorption data. Tentative vibrational assignments in the near-threshold TPES spectrum of the monomer have been made with the support of a theoretical approach based on density functional theory.

  18. Thermochemistry of the activation of N2 on iron cluster cations: Guided ion beam studies of the reactions of Fen+ (n=1-19) with N2

    NASA Astrophysics Data System (ADS)

    Tan, Lin; Liu, Fuyi; Armentrout, P. B.

    2006-02-01

    The kinetic energy dependences of the reactions of Fen+ (n=1-19) with N2 are studied in a guided ion beam tandem mass spectrometer over the energy range of 0-15eV. In addition to collision-induced dissociation forming Fem+ ions, which dominate the product spectra, a variety of FemN2+ and FemN+ product ions, where m ⩽n, is observed. All processes are observed to exhibit thresholds. Fem+-N and Fem+-2N bond energies as a function of cluster size are derived from the threshold analysis of the kinetic energy dependences of the endothermic reactions. The trends in this thermochemistry are compared to the isoelectronic D0(Fen+-CH), and to bulk phase values. A fairly uniform barrier of 0.48±0.03eV at 0K is observed for formation of the FenN2+ product ions (n =12, 15-19) and can be related to the rate-limiting step in the Haber process for catalytic ammonia production.

  19. COLD TRAP

    DOEpatents

    Milleron, N.

    1963-03-12

    An improved linear-flow cold trap is designed for highvacuum applications such as mitigating back migration of diffusion pump oil moiecules. A central pot of liquid nitrogen is nested within and supported by a surrounding, vertical, helical coil of metai sheet, all enveloped by a larger, upright, cylindrical, vacuum vessel. The vertical interstices between successive turns of the coil afford lineal, axial, high-vacuum passages between open mouths at top and bottom of said vessel, while the coil, being cold by virtue of thermal contact of its innermost turn with the nitrogen pot, affords expansive proximate condensation surfaces. (AEC)

  20. Some Like It Hot, Some like It Cold

    ERIC Educational Resources Information Center

    Silberman, Robert G.

    2004-01-01

    In order to find the right combination to construct a cold pack for athletic injuries, students mix liquids and solids in a calorimeter, and use a thermometer to ascertain whether the chemical reaction is hot or cold. Many formulae for chemical reactions are given, the first of which is used for commercial cold packs.

  1. Project COLD.

    ERIC Educational Resources Information Center

    Kazanjian, Wendy C.

    1982-01-01

    Describes Project COLD (Climate, Ocean, Land, Discovery) a scientific study of the Polar Regions, a collection of 35 modules used within the framework of existing subjects: oceanography, biology, geology, meterology, geography, social science. Includes a partial list of topics and one activity (geodesic dome) from a module. (Author/SK)

  2. Ionic conductivity of cold-pressed ceramics from grinding of R0.95M0.05F2.95 solid electrolytes ( R = La, Nd; M = Ca, Sr, Ba) synthesized by reaction in melt

    NASA Astrophysics Data System (ADS)

    Sorokin, N. I.; Ivanovskaya, N. A.; Sobolev, B. P.

    2014-03-01

    Cold-pressed ceramics of fluorine-conducting solid electrolytes La1 - y M y F3 - y ( M = Ca, Sr, Ba) and Nd1 - y Ca y F3 - y with y = 0.95 have been synthesized in a melt of RF3 ( R = La, Nd) and MF2 components in a fluorinating atmosphere and ground in a ball mill. The as-prepared ceramics require annealing, during which their porosity decreases and the conductivity is stably increased (by a factor of 250 for the R 1 - y M y F3 - y composition at 293 K). The Nd0.95Ca0.05F2.95 and Nd0.95Ca0.05F2.95 compositions have a maximum ionic conductivity σ(293 K) ˜ 5 × 10-6 Sm/cm. This value is larger (by a factor of about 10) than σ (293 K) for the R 1 - y M y F3 - y ceramics of tysonite phases prepared by mechanochemical synthesis with the cold pressing of reaction products.

  3. Why Being Cold Might Foster a Cold

    MedlinePlus

    ... medlineplus.gov/news/fullstory_159805.html Why Being Cold Might Foster a Cold Healthy body temperature boosts ability of immune system ... proving Mom right: Your odds of avoiding a cold get better if you bundle up and stay ...

  4. Hot, Cold, and Really Cold.

    ERIC Educational Resources Information Center

    Leyden, Michael

    1997-01-01

    Describes a physics experiment investigating temperature prediction and the relationship between the physical properties of heat units, melting, dissolving, states of matter, and energy loss. Details the experimental setup, which requires hot and cold water, a thermometer, and ice. Notes that the experiment employs a deliberate counter-intuitive…

  5. Dynamics of the S(D21)+HD(j=0) Reaction at Collision Energies Approaching the Cold Regime: A Stringent Test for Theory

    NASA Astrophysics Data System (ADS)

    Lara, Manuel; Chefdeville, Simon; Hickson, Kevin M.; Bergeat, Astrid; Naulin, Christian; Launay, Jean-Michel; Costes, Michel

    2012-09-01

    We report integral cross sections for the S(1D2)+HD(j=0)→DS+H and HS+D reaction channels obtained through crossed-beam experiments reaching collision energies as low as 0.46 meV and from adiabatic time-independent quantum-mechanical calculations. While good overall agreement with experiment at energies above 10 meV is observed, neither the product channel branching ratio nor the low-energy resonancelike features in the HS+D channel can be theoretically reproduced. A nonadiabatic treatment employing highly accurate singlet and triplet potential energy surfaces is clearly needed to resolve the complex nature of the reaction dynamics.

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

    NASA Technical Reports Server (NTRS)

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

    1989-01-01

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

  7. Freezing injury in cold-acclimated and unhardened spinach leaves : II. Effects of freezing on chlorophyll fluorescence and light scattering reactions.

    PubMed

    Klosson, R J; Krause, G H

    1981-04-01

    Leaves from cold-acclimated and from unhardened spinach plants (Spinacia oleracea L.) were subjected to a freezing/thawing procedure in which varying minimum temperatures were reached. Subsequently, the chlorophyll fluorescence induction signal (Kautsky phenomenon) and the light-induced apparent absorbance changes at 535 nm (light-scattering changes indicative of the proton gradient, and absorbance changes induced by the membrane potential) of the leaves were studied to obtain information on the course and mechanism of frost damage to the photosynthetic apparatus. Membrane energization as indicated by these signals was related in a complex way to the inactivation of CO2 assimilation due to the progressing impact of freezing: In the absence of CO2, the maximum energization of the thylakoids was progressively decreased. According to altered fluorescence signals, the electron transport system was affected in parallel. In the presence of CO2, energization frequently appeared increased when the leaves had been partially damaged, i.e., when the CO2 assimilation rates were lowered. The results suggest that the primary frost injury in chloroplasts of intact leaves consists of an inhibition of the energy conserving photosynthetic processes and, in addition, of a partial inactivation of the carbon reduction cycle. The pattern of freezing injury was no different in frost-hardened and unhardened leaves. PMID:24301977

  8. Product PCNPsurv or the "reduced" evaporation residue cross section σER/σfusion for "hot" fusion reactions studied with the dynamical cluster-decay model

    NASA Astrophysics Data System (ADS)

    Chopra, Sahila; Kaur, Arshdeep; Hemdeep, Gupta, Raj K.

    2016-04-01

    The product PCNPsurv of compound nucleus (CN) fusion probability PCN and survival probability Psurv is calculated to determine the reduced evaporation residue cross section σER/σfusion , denoted σERreduced, with (total) fusion cross section σfusion given as a sum of CN-formation cross section σCN and non-CN cross section σnCN for each reaction, where σCN is the sum of evaporation residue cross section σER and fusion-fission cross section σff and σnCN, if not measured, is estimated empirically as the difference between measured and calculated σfusion. Our calculations of PCN and Psurv, based on the dynamical cluster-decay model, were successfully made for some 17 "hot" fusion reactions, forming different CN of mass numbers ACN˜100 -300 , with deformations of nuclei up to hexadecapole deformations and "compact" orientations for both coplanar (Φc=0∘ ) and noncoplanar (Φc≠0∘ ) configurations, using various different nuclear interaction potentials. Interesting variations of σERreduced with CN excitation energy E*, fissility parameter χ , CN mass ACN, and Coulomb parameter Z1Z2 show that, independent of entrance channel, different isotopes of CN, and nuclear interaction potentials used, the dominant quantity in the product is Psurv, which classifies all the studied CN into three groups of weakly fissioning, radioactive, and strongly fissioning superheavy nuclei, with relative magnitudes of σERreduced˜1 , ˜10-6 , and ˜10-11 , which, like for PCN, get further grouped in two dependencies of (i) weakly fissioning and strongly fissioning superheavy nuclei decreasing with increasing E* and (ii) radioactive nuclei increasing with increasing E*.

  9. Chilling Out with Colds

    MedlinePlus

    ... most common cold virus, but more than 200 viruses can cause colds. Because there are so many, ... to help you feel better. Take that, cold viruses! continue How Kids Catch Colds Mucus (say: MYOO- ...

  10. Coping with Cold Sores

    MedlinePlus

    ... Here's Help White House Lunch Recipes Coping With Cold Sores KidsHealth > For Kids > Coping With Cold Sores ... sore." What's that? Adam wondered. What Is a Cold Sore? Cold sores are small blisters that is ...

  11. Heavy Cluster Knockout Reaction O16(C12,2C12)He4 and the Nature of the C12-C12 Interaction Potential

    NASA Astrophysics Data System (ADS)

    Joshi, B. N.; Jain, Arun K.; Gupta, Y. K.; Biswas, D. C.; Saxena, A.; John, B. V.; Danu, L. S.; Vind, R. P.; Choudhury, R. K.

    2011-01-01

    The heavy cluster knockout reaction O16(C12,2C12)He4 performed for the first time, reveals the true nature of the C12-C12 interaction. The observed cross section is enhanced by almost 2 orders of magnitude over the conventional zero range distorted wave impulse approximation (DWIA) predictions. An attractive C12-C12 optical potential, as obtained in the folding model, does not explain the enhanced cross section in the finite range (FR) DWIA framework. The inclusion of a hard core of fairly long range ˜3.65fm explains the data. The present investigation of O16(C12,2C12)He4 along with the C12-C12 elastic scattering also proves beyond doubt that the folding model’s deep attractive heavy ion potentials are unsuitable to describe the highly overlapping heavy ions. The application of FR-DWIA opens up new avenues to use the heavy core knockout for the detailed investigation of heavy as well as Borromean halo nuclei.

  12. Orientations of Iron-Sulfur Clusters FA and FB in the Homodimeric Type-I Photosynthetic Reaction Center of Heliobacterium modesticaldum.

    PubMed

    Kondo, Toru; Matsuoka, Masahiro; Azai, Chihiro; Itoh, Shigeru; Oh-Oka, Hirozo

    2016-05-12

    Orientations of the FA and FB iron-sulfur (FeS) clusters in a structure-unknown type-I homodimeric heriobacterial reaction center (hRC) were studied in oriented membranes of the thermophilic anaerobic photosynthetic bacterium Heliobacterium modesticaldum by electron paramagnetic resonance (EPR), and compared with those in heterodimeric photosystem I (PS I). The Rieske-type FeS center in the cytochrome b/c complex showed a well-oriented EPR signal. Illumination at 14 K induced an FB(-) signal with g-axes of gz = 2.066, gy = 1.937, and gx = 1.890, tilted at angles of 60°, 60°, and 45°, respectively, with respect to the membrane normal. Chemical reduction with dithionite produced an additional signal of FA(-), which magnetically interacted with FB(-), with gz = 2.046, gy = 1.942, and gx = 1.911 at 30°, 60°, and 90°, respectively. The angles and redox properties of FA(-) and FB(-) in hRC resemble those of FB(-) and FA(-), respectively, in PS I. Therefore, FA and FB in hRC, named after their g-value similarities, seem to be located like FB and FA, not like FA and FB, respectively, in PS I. The reducing side of hRC could resemble those in PS I, if the names of FA and FB are interchanged with each other.

  13. Fluorescence measurements show stronger cold inhibition of photosynthetic light reactions in Scots pine compared to Norway spruce as well as during spring compared to autumn.

    PubMed

    Linkosalo, Tapio; Heikkinen, Juha; Pulkkinen, Pertti; Mäkipää, Raisa

    2014-01-01

    We studied the photosynthetic activity of Scots pine (Pinus sylvestris L.) and Norway spruce (Picea abies [L.] Karst) in relation to air temperature changes from March 2013 to February 2014. We measured the chlorophyll fluorescence of approximately 50 trees of each species growing in southern Finland. Fluorescence was measured 1-3 times per week. We began by measuring shoots present in late winter (i.e., March 2013) before including new shoots once they started to elongate in spring. By July, when the spring shoots had achieved similar fluorescence levels to the older ones, we proceeded to measure the new shoots only. We analyzed the data by fitting a sigmoidal model containing four parameters to link sliding averages of temperature and fluorescence. A parameter defining the temperature range over which predicted fluorescence increased most rapidly was the most informative with in describing temperature dependence of fluorescence. The model generated similar fluorescence patterns for both species, but differences were observed for critical temperature and needle age. Down regulation of the light reaction was stronger in spring than in autumn. Pine showed more conservative control of the photosynthetic light reactions, which were activated later in spring and more readily attenuated in autumn. Under the assumption of a close correlation of fluorescence and photosynthesis, spruce should therefore benefit more than pine from the increased photosynthetic potential during warmer springs, but be more likely to suffer frost damage with a sudden cooling following a warm period. The winter of 2013-2014 was unusually mild and similar to future conditions predicted by global climate models. During the mild winter, the activity of photosynthetic light reactions of both conifers, especially spruce, remained high. Because light levels during winter are too low for photosynthesis, this activity may translate to a net carbon loss due to respiration.

  14. Reaction of cyanoacetylene HCCCN(X 1Sigma+) with ground-state carbon atoms C(3P) in cold molecular clouds.

    PubMed

    Li, H Y; Cheng, W C; Liu, Y L; Sun, B J; Huang, C Y; Chen, K T; Tang, M S; Kaiser, R I; Chang, A H H

    2006-01-28

    The reaction of the simplest cyanopolyyne, cyanoacetylene [HCCCN(X (1)Sigma(+))], with ground-state atomic carbon C((3)P) is investigated theoretically to explore the probable routes for the depletion of the famed interstellar molecule HCCCN, and the formation of carbon-nitrogen-bearing species in extraterrestrial environments particularly of ultralow temperature. Six collision complexes (c1-c6) without entrance barrier as a result of the carbon atom addition to the pi systems of HCCCN are located. The optimized geometries and harmonic frequencies of the intermediates, transition states, and products along the isomerization and dissociation pathways of each collision complex are obtained by utilizing the unrestricted B3YLP6-311G(d,p) level of theory, and the corresponding CCSD(T)/cc-pVTZ energies are calculated. Subsequently, with the facilitation of Rice-Ramsperger-Kassel-Marcus (RRKM) and variational RRKM rate constants at collision energy of 0-10 kcal/mol, the most probable paths for the titled reaction are determined, and the product yields are estimated. Five collision complexes (c1-c3, c5, and c6) are predicted to give the same products, a chained CCCCN (p2)+H, via the linear and most stable intermediate, HCCCCN (i2), while collision complex c4 is likely to dissociate back to C+HCCCN. The study suggests that this class of reaction is an important route to the destruction of cyanoacetylene and cyanopolyynes in general, and to the synthesis of linear carbon-chained nitriles at the temperature as low as 10 K to be incorporated in future chemical models of interstellar clouds.

  15. COLD TRAPS

    DOEpatents

    Thompson, W.I.

    1958-09-30

    A cold trap is presented for removing a condensable component from a gas mixture by cooling. It consists of a shell, the exterior surface of which is chilled by a refrigerant, and conductive fins welded inside the shell to condense the gas, and distribute the condensate evenly throughout the length of the trap, so that the trap may function until it becomes completely filled with the condensed solid. The contents may then be removed as either a gas or as a liquid by heating the trap. This device has particuinr use as a means for removing uranium hexafluoride from the gaseous diffusion separation process during equipment breakdown and repair periods.

  16. Nuclear Cluster Aspects in Astrophysics

    SciTech Connect

    Kubono, Shigeru

    2010-03-01

    The role of nuclear clustering is discussed for nucleosynthesis in stellar evolution with Cluster Nucleosynthesis Diagram (CND) proposed before. Special emphasis is placed on alpha-induced stellar reactions together with molecular states for O and C burning.

  17. Structural rearrangements induced by acid-base reactions in metal carbonyl clusters: the case of [H(3-n)Co15Pd9C3(CO)38]n- (n = 0-3).

    PubMed

    Ciabatti, Iacopo; Femoni, Cristina; Gaboardi, Mattia; Iapalucci, Maria Carmela; Longoni, Giuliano; Pontiroli, Daniele; Riccò, Mauro; Zacchini, Stefano

    2014-03-21

    The new bimetallic [HCo15Pd9C3(CO)38](2-) tri-carbide carbonyl cluster has been obtained from the reaction of [H2Co20Pd16C4(CO)48](4-) with an excess of acid in CH2Cl2 solution. The mono-hydride di-anion can be reversibly protonated and deprotonated by means of acid-base reactions leading to closely related [H(3-n)Co15Pd9C3(CO)38](n-) (n = 0-3) clusters. The crystal structures of the three anionic and the neutral clusters have been determined as their H3Co15Pd9C3(CO)38·2thf, [NEt4][H2Co15Pd9C3(CO)38]·0.5C6H14, [NMe3(CH2Ph)]2[HCo15Pd9C3(CO)38]·C6H14 and [NEt4]3[Co15Pd9C3(CO)38]·thf salts. They are composed of a Pd9(μ3-CO)2 core stabilised by three Co5C(CO)12 organometallic fragments. The poly-hydride nature of these clusters has been indirectly inferred via chemical, electrochemical and magnetic measurements. Besides, cyclic voltammetry shows that the [H(3-n)Co15Pd9C3(CO)38](n-) (n = 1-3) anions are multivalent, since they undergo two or three reversible oxidations. SQUID measurements of [HCo15Pd9C3(CO)38](2-) indicate that this even electron cluster is paramagnetic with two unpaired electrons, giving further support to its hydride nature. Finally, structural studies show that the Pd9 core of [H(3-n)Co15Pd9C3(CO)38](n-) (n = 0,1) is a tri-capped octahedron, which becomes a tri-capped trigonal prism in the more charged [H(3-n)Co15Pd9C3(CO)38](n-) (n = 2,3) anions. Such a significant structural rearrangement of the metal core of a large carbonyl cluster upon protonation-deprotonation reactions is unprecedented in cluster chemistry, and suggests that interstitial hydrides may have relevant stereochemical effects even in large carbonyl clusters.

  18. Classical trajectory simulation of the cluster-atom association reaction I-Arn+I --> I2+nAr. II. Diffusion of captured iodine and evaporative cooling of I2

    NASA Astrophysics Data System (ADS)

    Hu, Xiche; Martens, Craig C.

    1993-12-01

    This is Part II of a series of papers in which we address the role of microscopic solvation in the association reaction between a free iodine atom and an iodine doped van der Waals cluster: I+I(Ar)n→I2+nAr. The influence of microscopic solvation on the I+I to I2 reactivity, reaction mechanism, energetics, and product energy partitioning is the major focus of our study. The overall reaction for I+I(Ar)12→I2+12Ar can be characterized by three fundamental processes: (1) capture of the incident iodine atom by the I(Ar)12 cluster; (2) diffusive migration of the captured I atom on the surface or in the interior of the cluster, leading ultimately to an encounter with the other I atom to form a highly excited I*2 molecule; (3) vibrational relaxation of the nascent I*2 product, leading to evaporative cooling and decomposition of the cluster. Part I [J. Chem. Phys. 98, 8551 (1993)] dealt with the capture process. This article focuses on the chemical dynamics of the subsequent processes of diffusion, vibrational energy transfer, and evaporative cooling. The stabilization of the chemically activated I*2 molecule through evaporative cooling eliminate the need of a third body collision as required in isolation gas phase recombination. The overall distribution of final energies is nonstatistical for the chemically activated I*2Arn. The final vibrational energy of I2 exhibits a nonthermal structure even after all the argon atoms are evaporated. In addition to monoatomic sequential evaporation, a ``fissioning'' mechanism, leading to the formation of at least one multiatom fragment, is observed. The relationship between structure and dynamics is explored. The dynamics of vibrational relaxation, diffusion of the captured iodine, evaporation, and fragmentation pattern, final I2 energy partitioning are found to be strongly dependent upon structure and temperature of the doped cluster. A spectroscopic experimental verification of the above observations is also proposed.

  19. Mathematical modeling of cold cap

    SciTech Connect

    Pokorny, Richard; Hrma, Pavel R.

    2012-10-13

    The ultimate goal of studies of cold cap behavior in glass melters is to increase the rate of glass processing in an energy-efficient manner. Regrettably, mathematical models, which are ideal tools for assessing the responses of melters to process parameters, have not paid adequate attention to the cold cap. In this study, we consider a cold cap resting on a pool of molten glass from which it receives a steady heat flux while temperature, velocity, and extent of conversion are functions of the position along the vertical coordinate. A one-dimensional (1D) mathematical model simulates this process by solving the differential equations for mass and energy balances with appropriate boundary conditions and constitutive relationships for material properties. The sensitivity analyses on the effects of incoming heat fluxes to the cold cap through its lower and upper boundaries show that the cold cap thickness increases as the heat flux from above increases, and decreases as the total heat flux increases. We also discuss the effects of foam, originating from batch reactions and from redox reactions in molten glass and argue that models must represent the foam layer to achieve a reliable prediction of the melting rate as a function of feed properties and melter conditions.

  20. Probing Nuclear Structure by Cold Emission Processes

    SciTech Connect

    Delion, D. S.

    2008-01-24

    Cold emission processes (one and two-proton emission, alpha-decay, heavy cluster emission and cold binary or ternary fission) are presently among important tools to investigate the structure of rare nuclei far from the stability line. We analyze the coupling between collective excitations of the emitted fragments and the relative motion, in terms of the coupled channels technique. It turns out that partial decay widths to excited states of emitted fragments are very sensitive to the nuclear structure details.

  1. Transcriptomic analysis of cold response in tomato fruits identifies dehydrin as a marker of cold stress.

    PubMed

    Weiss, J; Egea-Cortines, M

    2009-01-01

    Tomato is sensitive to cold during vegetative growth, fruit set, development, and ripening. We have characterized the effect of cold stress (6xC for up to 48 h) on the transcriptome of Micro-Tom tomato fruits during ripening by subtractive PCR. The cold stress caused modifications in gene expression of housekeeping genes. From a total of 38 genes up-regulated by cold, only one clone - a dehydrin homologue - was related to previously identified cold-stress genes. Phylogenetic analysis showed its clustering with other cold-induced dehydrins, and increased distances from dehydrins activated by abscisic acid. Quantitative expression analysis of tomato dehydrin showed it was activated by cold treatment in leaves and fruits. As dehydrin is a member of the Sl-CBF1 regulon from tomato, we analyzed the cold-responsive transcription factor Sl-CBF1 in mature leaves and ripening fruits stored at 6xC. Leaves of Micro-Tom showed high basal levels of the transcription factor Sl-CBF1, compared to fruits. Cold treatment caused increased levels of Sl-CBF1 expression in leaves but not in fruits of Micro-Tom and Demisem (a commercial cultivar). Tomato dehydrin can be used as a transcriptional marker of cold stress in leaves and ripening fruits. However, our results indicate that the cold response activation of dehydrin gene in tomato fruits is the consequence of an alternative pathway, different from the Sl-CBF1 regulon. PMID:19875881

  2. Relationships of self-identified cold tolerance and cold-induced vasodilatation in the finger

    NASA Astrophysics Data System (ADS)

    Park, Joonhee; Lee, Joo-Young

    2016-04-01

    This study was conducted to investigate relationships of self-identified cold tolerance and cold-induced vasodilatation (CIVD) in the finger. Nine males and 34 females participated in the following 2 tests: a CIVD test and a self-reported survey. The CIVD test was conducted 30-min cold-water immersion (3.8 ± 0.3 °C) of the middle finger at an air temperature of 27.9 ± 0.1 °C. The self-reported questionnaire consisted of 28 questions about whole and local body cold and heat tolerances. By a cluster analysis on the survey results, the participants were divided into two groups: high self-identified cold tolerance (HSCT, n = 25) and low self-identified cold tolerance (LSCT, n = 18). LSCT had lower self-identified cold tolerance ( P < 0.001), preferred hot thermal stimulation ( P = 0.006), and wore heavier clothing during daily life ( P < 0.001) than HSCT. LSCT had significantly lower maximal finger temperatures ( T max) ( P = 0.040), smaller amplitude ( P = 0.029), and delayed onset time of CIVD ( P = 0.080) when compared to HSCT. Some questions examining the self-identified cold or heat tolerance had relationships with cold tolerance index, T max, and amplitude ( P < 0.1). These results indicate that self-identified cold tolerance classified through a standardized survey could be a good index to predict physiological cold tolerance.

  3. Cough & Cold Medicine Abuse

    MedlinePlus

    ... I Help a Friend Who Cuts? Cough & Cold Medicine Abuse KidsHealth > For Teens > Cough & Cold Medicine Abuse ... DXM Why Do People Use Cough and Cold Medicines to Get High? There's an ingredient in many ...

  4. Cold symptoms (image)

    MedlinePlus

    Colds are caused by a virus and can occur year-round. The common cold generally involves a runny nose, nasal congestion, and ... symptoms include sore throat, cough, and headache. A cold usually lasts about 7 days, with perhaps a ...

  5. Vitamin C and colds

    MedlinePlus

    Colds and vitamin C ... is that vitamin C can cure the common cold . However, research about this claim is conflicting. Although ... vitamin C may help reduce how long a cold lasts. They do not protect against getting a ...

  6. Site specific ligand substitution in cubane-type Mo3FeS(4)(4+) clusters: kinetics and mechanism of reaction and isolation of mixed ligand Cl/SPh complexes.

    PubMed

    Algarra, Andrés G; Basallote, Manuel G; Fernandez-Trujillo, M J; Llusar, Rosa; Pino-Chamorro, Jose A; Sorribes, Ivan; Vicent, Cristian

    2010-04-21

    The synthesis, crystal structure and solution characterization of the cubane-type [Mo(3)(FeCl)S(4)(dmpe)(3)Cl(3)] (1) (dmpe = 1,2-bis(dimethylphophane-ethane)) cluster are reported and the ligand substitution processes of chloride by thiophenolate investigated. The kinetics and the intimate mechanism of these substitutions reveal that compound 1 undergoes a number of Fe and Mo site specific ligand substitution reactions in acetonitrile solutions. In particular, PhS(-) coordination at the tetrahedral Fe site proceeds in a single resolved kinetic step whereas such substitutions at the Mo sites proceed more slowly. The effect of the presence of acids in the reaction media is also investigated and reveals that an acid excess hinders substitution reactions both at the Fe and Mo sites; however, an acid-promoted solvolysis of the Fe-Cl bonds is observed. Electrospray ionization (ESI) and tandem (ESI-MS/MS) mass spectrometry allow the identification of all the reaction intermediates proposed on the basis of stopped-flow measurements. The distinctive site specific reactivity made it possible to isolate two new clusters of the Mo(3)FeS(4)(4+) family featuring mixed chlorine/thiophenolate ligands, namely Mo(3)S(4)(FeSPh)(dmpe)(3)Cl(3) (2) and [Mo(3)S(4)(FeSPh)(dmpe)(3)(SPh)(3)] (3). A detailed computational study has also been carried out to understand the details of the mechanism of substitution at the M-Cl (M = Mo and Fe) bonds as well as the solvolysis at the Fe-Cl sites, with particular emphasis on the role of acids on the substitution process. The results of the calculations are in agreement with the experimental observations, thus justifying the non-existence of an accelerating effect of acids on the thiophenolate substitution reaction, which differs from previous proposals for the Fe(4)S(4) and MoFe(3)S(4) clusters and some related compounds.

  7. Determination of the compound nucleus survival probability Psurv for various "hot" fusion reactions based on the dynamical cluster-decay model

    NASA Astrophysics Data System (ADS)

    Chopra, Sahila; Kaur, Arshdeep; Gupta, Raj K.

    2015-03-01

    After a successful attempt to define and determine recently the compound nucleus (CN) fusion/ formation probability PCN within the dynamical cluster-decay model (DCM), we introduce and estimate here for the first time the survival probability Psurv of CN against fission, again within the DCM. Calculated as the dynamical fragmentation process, Psurv is defined as the ratio of the evaporation residue (ER) cross section σER and the sum of σER and fusion-fission (ff) cross section σff, the CN formation cross section σCN, where each contributing fragmentation cross section is determined in terms of its formation and barrier penetration probabilities P0 and P . In DCM, the deformations up to hexadecapole and "compact" orientations for both in-plane (coplanar) and out-of-plane (noncoplanar) configurations are allowed. Some 16 "hot" fusion reactions, forming a CN of mass number ACN˜100 to superheavy nuclei, are analyzed for various different nuclear interaction potentials, and the variation of Psurv on CN excitation energy E*, fissility parameter χ , CN mass ACN, and Coulomb parameter Z1Z2 is investigated. Interesting results are that three groups, namely, weakly fissioning, radioactive, and strongly fissioning superheavy nuclei, are identified with Psurv, respectively, ˜1 ,˜10-6 , and ˜10-10 . For the weakly fissioning group (100

  8. Reactions of metal ions and their clusters in the gas phase using laser ionization--Fourier transform mass spectrometry. Progress report, February 1, 1990--January 31, 1991

    SciTech Connect

    Freiser, B.S.

    1990-09-01

    Carbon clusters of the form C{sub N}{sup {minus}} are observed at least out to N = 30 confirming that cluster formation is occurring in the high pressure ``waiting room`` of the supersonic cluster source. This can be stated unequivocally, since only up to N = 13 is observed by direct laser desorption of a carbon target in the absence of supersonic expansion. Currently underway is a systematic investigation of a wide variety of M{sup +}-C{sub n}H{sub 2n} species with n = 2--10 and M = first and second row transition metal ions. In addition we will shortly apply this methodology to doubly charged ions and metal cluster ions. All indications are that this area will be highly productive.

  9. Cold energy

    SciTech Connect

    Wallace, John P.

    2015-12-04

    Deviations in Q for resonant superconducting radio frequency niobium accelerator cavities are generally correlated with resistivity loss mechanisms. Field dependent Qs are not well modeled by these classical loss mechanisms, but rather can represent a form of precision cavity surface thermometry. When the field dependent Q variation shows improvement with increasing B field level the classical treatment of this problem is inadequate. To justify this behavior hydrogen as a ubiquitous impurity in niobium, which creates measurable property changes, even at very low concentrations is typically considered the cause of such anomalous behavior. This maybe the case in some instances, but more importantly any system operating with a highly coherent field with a significant time dependent magnetic component at near 2° K will have the ability to organize the remaining free spins within the London penetration depth to form a coupled energy reservoir in the form of low mass spin waves. The niobium resonant cavities are composed of a single isotope with a large nuclear spin. When the other loss mechanisms are stripped away this may be the gain medium activated by the low level residual magnetic fields. It was found that one resonant cavity heat treatment produced optimum surface properties and then functioned as a MASER extracting energy from the 2° K thermal bath while cooling the cavity walls. The cavity operating in this mode is a simulator of what can take place in the wider but not colder universe using the cosmic microwave background (CMB) as a thermal source. The low mass, long lifetimes, and the scale of the magnetic spin waves on the weakly magnetized interstellar medium allows energy to be stored that is many orders of magnitude colder than the cosmic microwave background. A linear accelerator cavity becomes a tool to explore the properties of the long wave length magnetic spin waves that populate this cold low energy regime.

  10. Cold energy

    NASA Astrophysics Data System (ADS)

    Wallace, John P.

    2015-12-01

    Deviations in Q for resonant superconducting radio frequency niobium accelerator cavities are generally correlated with resistivity loss mechanisms. Field dependent Qs are not well modeled by these classical loss mechanisms, but rather can represent a form of precision cavity surface thermometry. When the field dependent Q variation shows improvement with increasing B field level the classical treatment of this problem is inadequate. To justify this behavior hydrogen as a ubiquitous impurity in niobium, which creates measurable property changes, even at very low concentrations is typically considered the cause of such anomalous behavior. This maybe the case in some instances, but more importantly any system operating with a highly coherent field with a significant time dependent magnetic component at near 2° K will have the ability to organize the remaining free spins within the London penetration depth to form a coupled energy reservoir in the form of low mass spin waves. The niobium resonant cavities are composed of a single isotope with a large nuclear spin. When the other loss mechanisms are stripped away this may be the gain medium activated by the low level residual magnetic fields. It was found that one resonant cavity heat treatment produced optimum surface properties and then functioned as a MASER extracting energy from the 2° K thermal bath while cooling the cavity walls. The cavity operating in this mode is a simulator of what can take place in the wider but not colder universe using the cosmic microwave background (CMB) as a thermal source. The low mass, long lifetimes, and the scale of the magnetic spin waves on the weakly magnetized interstellar medium allows energy to be stored that is many orders of magnitude colder than the cosmic microwave background. A linear accelerator cavity becomes a tool to explore the properties of the long wave length magnetic spin waves that populate this cold low energy regime.

  11. Global transcriptional profiling of a cold-tolerant rice variety under moderate cold stress reveals different cold stress response mechanisms.

    PubMed

    Zhao, Junliang; Zhang, Shaohong; Yang, Tifeng; Zeng, Zichong; Huang, Zhanghui; Liu, Qing; Wang, Xiaofei; Leach, Jan; Leung, Hei; Liu, Bin

    2015-07-01

    Gene expression profiling under severe cold stress (4°C) has been conducted in plants including rice. However, rice seedlings are frequently exposed to milder cold stresses under natural environments. To understand the responses of rice to milder cold stress, a moderately low temperature (8°C) was used for cold treatment prior to genome-wide profiling of gene expression in a cold-tolerant japonica variety, Lijiangxintuanheigu (LTH). A total of 5557 differentially expressed genes (DEGs) were found at four time points during moderate cold stress. Both the DEGs and differentially expressed transcription factor genes were clustered into two groups based on their expression, suggesting a two-phase response to cold stress and a determinative role of transcription factors in the regulation of stress response. The induction of OsDREB2A under cold stress is reported for the first time in this study. Among the anti-oxidant enzyme genes, glutathione peroxidase (GPX) and glutathione S-transferase (GST) were upregulated, suggesting that the glutathione system may serve as the main reactive oxygen species (ROS) scavenger in LTH. Changes in expression of genes in signal transduction pathways for auxin, abscisic acid (ABA) and salicylic acid (SA) imply their involvement in cold stress responses. The induction of ABA response genes and detection of enriched cis-elements in DEGs suggest that ABA signaling pathway plays a dominant role in the cold stress response. Our results suggest that rice responses to cold stress vary with the specific temperature imposed and the rice genotype.

  12. Symbolic clustering

    SciTech Connect

    Reinke, R.E.

    1991-01-01

    Clustering is the problem of finding a good organization for data. Because there are many kinds of clustering problems, and because there are many possible clusterings for any data set, clustering programs use knowledge and assumptions about individual problems to make clustering tractable. Cluster-analysis techniques allow knowledge to be expressed in the choice of a pairwise distance measure and in the choice of clustering algorithm. Conceptual clustering adds knowledge and preferences about cluster descriptions. In this study the author describes symbolic clustering, which adds representation choice to the set of ways a data analyst can use problem-specific knowledge. He develops an informal model for symbolic clustering, and uses it to suggest where and how knowledge can be expressed in clustering. A language for creating symbolic clusters, based on the model, was developed and tested on three real clustering problems. The study concludes with a discussion of the implications of the model and the results for clustering in general.

  13. Structural models of the bimetallic subunit at the A-cluster of acetyl coenzyme a synthase/CO dehydrogenase: binuclear sulfur-bridged Ni-Cu and Ni-Ni complexes and their reactions with CO.

    PubMed

    Harrop, Todd C; Olmstead, Marilyn M; Mascharak, Pradip K

    2004-11-17

    The Ni(II)-dicarboxamido-dithiolato complexes (Et4N)2[Ni(NpPepS)] (1) and (Et4N)2[Ni(PhPepS)] (2) were used as Nid metallosynthons in the construction of higher nuclearity dinuclear Ni-Cu and Ni-Ni species to model the bimetallic Mp-Nid site of the A-cluster of acetyl coenzyme A synthase/CO dehydrogenase (ACS/CODH). Reaction of 1 with [Cu(neo)Cl] and [Ni(terpy)Cl2] in MeCN affords the dinuclear complexes (Et4N)[Cu(neo)Ni(NpPepS)] (3) and [Ni(terpy)Ni(NpPepS)] (4), respectively. Reaction of 2 with [Ni(dppe)Cl2] in MeCN yields [Ni(dppe)Ni(PhPepS)] (6). The Ni-Cu complex 3 exhibits no redox chemistry at the Nid site and no reaction with CO. In contrast, the Nip sites in 4 and 6 are readily reduced (characterized by their Ni(I) EPR spectra) and bind CO, exhibiting nuco bands at 2044 and 1997 cm-1, respectively, indicating terminal CO binding. The present Ni-Ni systems replicate the structural and chemical properties of the A-cluster site in ACS/CODH and support the presence of Ni at Mp in the catalytically active enzyme.

  14. Transfer reactions with heavy elements

    SciTech Connect

    Hoffman, D.C.

    1986-04-01

    Transfer reactions for several transuranium elements are studied. (/sup 248/Cm, /sup 249/Bk, /sup 249/CF, /sup 254/Es), /sup 16,18/O, /sup 20,22/Ne, and /sup 40,48/Ca projectiles are used. The production of neutron-rich heavy actinides is enhanced by the use of neutron-rich projectiles /sup 18/O and /sup 22/Ne. The maxima of the isotopic distributions occur at only 2 to 3 mass numbers larger for /sup 48/Ca than for /sup 40/Ca reactions with /sup 248/Cm. The cross sections decrease rapidly with the number of nucleons transferred. The use of neutron-rich targets favors the production of neutron-rich isotopes. ''Cold'' heavy targets are produced. Comparisons with simple calculations of the product excitation energies assuming binary transfers indicate that the maxima of the isotopic distributions occur at the lightest product isotope for which the energy exceeds the reaction barrier. The cross sections for transfer of the same nucleon clusters appear to be comparable for a wide variety of systems. 23 refs., 4 figs., 4 tabs.

  15. Collision-Induced Dissociation of Electrosprayed NaCl Clusters: Using Molecular Dynamics Simulations to Visualize Reaction Cascades in the Gas Phase

    NASA Astrophysics Data System (ADS)

    Schachel, Tilo D.; Metwally, Haidy; Popa, Vlad; Konermann, Lars

    2016-11-01

    Infusion of NaCl solutions into an electrospray ionization (ESI) source produces [Na( n+1)Cl n ]+ and other gaseous clusters. The n = 4, 13, 22 magic number species have cuboid ground state structures and exhibit elevated abundance in ESI mass spectra. Relatively few details are known regarding the mechanisms whereby these clusters undergo collision-induced dissociation (CID). The current study examines to what extent molecular dynamics (MD) simulations can be used to garner insights into the sequence of events taking place during CID. Experiments on singly charged clusters reveal that the loss of small neutrals is the dominant fragmentation pathway. MD simulations indicate that the clusters undergo extensive structural fluctuations prior to decomposition. Consistent with the experimentally observed behavior, most of the simulated dissociation events culminate in ejection of small neutrals ([NaCl] i , with i = 1, 2, 3). The MD data reveal that the prevalence of these dissociation channels is linked to the presence of short-lived intermediates where a relatively compact core structure carries a small [NaCl] i protrusion. The latter can separate from the parent cluster via cleavage of a single Na-Cl contact. Fragmentation events of this type are kinetically favored over other dissociation channels that would require the quasi-simultaneous rupture of multiple electrostatic contacts. The CID behavior of NaCl cluster ions bears interesting analogies to that of collisionally activated protein complexes. Overall, it appears that MD simulations represent a valuable tool for deciphering the dissociation of noncovalently bound systems in the gas phase.

  16. Collision-Induced Dissociation of Electrosprayed NaCl Clusters: Using Molecular Dynamics Simulations to Visualize Reaction Cascades in the Gas Phase

    NASA Astrophysics Data System (ADS)

    Schachel, Tilo D.; Metwally, Haidy; Popa, Vlad; Konermann, Lars

    2016-09-01

    Infusion of NaCl solutions into an electrospray ionization (ESI) source produces [Na(n+1)Cl n ]+ and other gaseous clusters. The n = 4, 13, 22 magic number species have cuboid ground state structures and exhibit elevated abundance in ESI mass spectra. Relatively few details are known regarding the mechanisms whereby these clusters undergo collision-induced dissociation (CID). The current study examines to what extent molecular dynamics (MD) simulations can be used to garner insights into the sequence of events taking place during CID. Experiments on singly charged clusters reveal that the loss of small neutrals is the dominant fragmentation pathway. MD simulations indicate that the clusters undergo extensive structural fluctuations prior to decomposition. Consistent with the experimentally observed behavior, most of the simulated dissociation events culminate in ejection of small neutrals ([NaCl] i , with i = 1, 2, 3). The MD data reveal that the prevalence of these dissociation channels is linked to the presence of short-lived intermediates where a relatively compact core structure carries a small [NaCl] i protrusion. The latter can separate from the parent cluster via cleavage of a single Na-Cl contact. Fragmentation events of this type are kinetically favored over other dissociation channels that would require the quasi-simultaneous rupture of multiple electrostatic contacts. The CID behavior of NaCl cluster ions bears interesting analogies to that of collisionally activated protein complexes. Overall, it appears that MD simulations represent a valuable tool for deciphering the dissociation of noncovalently bound systems in the gas phase.

  17. Guided ion beam studies of the reactions of Co{sub n}{sup +} (n=1-18) with N{sub 2}: Cobalt cluster mononitride and dinitride bond energies

    SciTech Connect

    Liu Fuyi; Li Ming; Tan Lin; Armentrout, P. B.

    2008-05-21

    The reactions of Co{sub n}{sup +} (n=1-18) with N{sub 2} are measured as a function of kinetic energy over a range of 0-15 eV in a guided ion beam tandem mass spectrometer. A variety of Co{sub m}{sup +}, Co{sub m}N{sup +}, and Co{sub m}N{sub 2}{sup +} (m{<=}n) product ions are observed, all in endothermic processes, with collision-induced dissociation dominating the products for all clusters. Bond dissociation energies for both cobalt cluster nitrides and dinitrides are derived from threshold analysis of the energy dependence of the endothermic reactions using several different approaches. These values show only a mild dependence on cluster size over the range studied, although the Co{sub 13}{sup +}-N bond energy is relatively weak. The bond energies of Co{sub n}{sup +}-N for larger clusters suggest that a reasonable value for the desorption energy of atomic nitrogen from bulk phase cobalt is 6.3{+-}0.2 eV, which is somewhat lower than the only available value in the literature, an estimate based on the enthalpy of formation of bulk cobalt nitride. The trends in the cobalt nitride thermochemistry are also compared to previously determined metal-metal bond energies, D{sub 0}(Co{sub n}{sup +}-Co), and to D{sub 0}(Fe{sub n}{sup +}-N). Implications for catalytic ammonia production using cobalt versus iron are discussed.

  18. Direct ab initio dynamics calculations for rates and the kinetic isotope effects of multiproton transfer in ClONO2 + HCl --> HNO3 + Cl2 reactions with water clusters: breakdown of the rule of the geometric mean.

    PubMed

    Nam, Kikyung; Kim, Yongho

    2009-04-14

    We performed high-level quantum mechanical calculations and direct ab initio reaction dynamics calculations for multiple proton transfers in ClONO(2)+HCl-->HNO(3)+Cl(2) with water clusters containing one to two water molecules, which can be used as a model of the reactions occurring on ice surface in stratospheric clouds. The energy barriers of these reactions depend on the number of water molecules involved. Two and three protons in these reactions with one and two water molecules, respectively, were transferred concertedly and asynchronously. The potential energy barrier at the MP2/6-311++(3df,3pd)//MP2/6-31G(d,p) level was 4.8 kcal/mol for the triple proton transfer involving two water molecules with a rate constant of 1.6x10(3) s(-1) at 197 K. The potential energy curve near the saddle points was very flat and the tunneling effect on the proton transfer was negligible. The primary HH/DH kinetic isotope effect for the double proton transfer involving one water molecule was lower than unity due to the enhanced force constant at the transition state. The rule of the geometric mean for the concerted proton transfer does not hold in these reactions because the zero-point energy changes of each proton in flight at the transition state are not the same in the highly asynchronous processes.

  19. Charge Transfer Reactions

    NASA Astrophysics Data System (ADS)

    Dennerl, Konrad

    2010-12-01

    Charge transfer, or charge exchange, describes a process in which an ion takes one or more electrons from another atom. Investigations of this fundamental process have accompanied atomic physics from its very beginning, and have been extended to astrophysical scenarios already many decades ago. Yet one important aspect of this process, i.e. its high efficiency in generating X-rays, was only revealed in 1996, when comets were discovered as a new class of X-ray sources. This finding has opened up an entirely new field of X-ray studies, with great impact due to the richness of the underlying atomic physics, as the X-rays are not generated by hot electrons, but by ions picking up electrons from cold gas. While comets still represent the best astrophysical laboratory for investigating the physics of charge transfer, various studies have already spotted a variety of other astrophysical locations, within and beyond our solar system, where X-rays may be generated by this process. They range from planetary atmospheres, the heliosphere, the interstellar medium and stars to galaxies and clusters of galaxies, where charge transfer may even be observationally linked to dark matter. This review attempts to put the various aspects of the study of charge transfer reactions into a broader historical context, with special emphasis on X-ray astrophysics, where the discovery of cometary X-ray emission may have stimulated a novel look at our universe.

  20. Toxicity evaluation and hazard review Cold Smoke

    SciTech Connect

    Archuleta, M.M.; Stocum, W.E.

    1993-12-01

    Cold Smoke is a dense white smoke produced by the reaction of titanium tetrachloride and aqueous ammonia aerosols. Early studies on the toxicity of this nonpyrotechnically generated smoke indicated that the smoke itself is essentially non-toxic (i.e. exhibits to systemic toxicity or organ damage due to exposure) under normal deployment conditions. The purpose of this evaluation was to review and summarize the recent literature data available on the toxicity of Cold Smoke, its chemical constituents, and its starting materials.

  1. H-cluster stars

    NASA Astrophysics Data System (ADS)

    Lai, X. Y.; Gao, C. Y.; Xu, R. X.

    2013-06-01

    The study of dense matter at ultrahigh density has a very long history, which is meaningful for us to understand not only cosmic events in extreme circumstances but also fundamental laws of physics. It is well known that the state of cold matter at supranuclear density depends on the non-perturbative nature of quantum chromodynamics (QCD) and is essential for modelling pulsars. A so-called H-cluster matter is proposed in this paper as the nature of dense matter in reality. In compact stars at only a few nuclear densities but low temperature, quarks could be interacting strongly with each other there. That might render quarks grouped in clusters, although the hypothetical quark clusters in cold dense matter have not been confirmed due to the lack of both theoretical and experimental evidence. Motivated by recent lattice QCD simulations of the H-dibaryons (with structure uuddss), we therefore consider here a possible kind of quark clusters, H-clusters, that could emerge inside compact stars during their initial cooling as the dominant components inside (the degree of freedom could then be H-clusters there). Taking into account the in-medium stiffening effect, we find that at baryon densities of compact stars H-cluster matter could be more stable than nuclear matter. We also find that for the H-cluster matter with lattice structure, the equation of state could be so stiff that it would seem to be `superluminal' in the most dense region. However, the real sound speed for H-cluster matter is in fact difficult to calculate, so at this stage we do not put constraints on our model from the usual requirement of causality. We study the stars composed of H-clusters, i.e. H-cluster stars, and derive the dependence of their maximum mass on the in-medium stiffening effect, showing that the maximum mass could be well above 2 M⊙ as observed and that the resultant mass-radius relation fits the measurement of the rapid burster under reasonable parameters. Besides a general

  2. Cold Stress and the Cold Pressor Test

    ERIC Educational Resources Information Center

    Silverthorn, Dee U.; Michael, Joel

    2013-01-01

    Temperature and other environmental stressors are known to affect blood pressure and heart rate. In this activity, students perform the cold pressor test, demonstrating increased blood pressure during a 1- to 2-min immersion of one hand in ice water. The cold pressor test is used clinically to evaluate autonomic and left ventricular function. This…

  3. Cold and Cough Medicines

    MedlinePlus

    ... What can you do for your cold or cough symptoms? Besides drinking lots of fluids and getting ... medicines. There are lots of different cold and cough medicines, and they do different things. Nasal decongestants - ...

  4. Cold knife cone biopsy

    MedlinePlus

    ... this page: //medlineplus.gov/ency/article/003910.htm Cold knife cone biopsy To use the sharing features on this page, please enable JavaScript. A cold knife cone biopsy (conization) is surgery to remove ...

  5. Cold Sores (Orofacial Herpes)

    MedlinePlus

    ... rash and rashes clinical tools newsletter | contact Share | Cold Sores (Orofacial Herpes) Information for adults A A ... face, known as orofacial herpes simplex, herpes labialis, cold sores, or fever blisters, is a common, recurrent ...

  6. Gas Density Discontinuities in Merging Clusters

    NASA Technical Reports Server (NTRS)

    Mushotzky, Richard (Technical Monitor); Markevitch, Maxim

    2005-01-01

    Chandra has discovered a new phenomenon in galaxy clusters, the sharp gas density edges. Depending on the sign of the temperature jump across the edge, these features may either be bow shocks or cold fronts. While bow shocks obviously are driven by merging sub-clusters, what causes cold fronts is not entirely clear, as they are observed both in mergers and in relaxed clusters. The purpose of the XMM study of A3376, an interesting cluster with density edges, is to understand the origin of cold fronts and to look for possible shocks. The XMM data for A3376 have been mostly analyzed (the X-ray edge turned out to be a cold front). Preliminary results have been shown at a conference and a paper is in preparation. We also have Chandra data for this cluster, and are comparing and combining the two datasets. In the course of analyzing the X-ray data for this cluster as well as several others, it has become apparent that we need the help of hydrodynamic simulations to study the precise mechanism by which cold fronts are formed, the main goal of the present project. A postdoc (Yago Ascasibar) is currently running SPH simulations of an idealized sub- cluster merger. These advanced simulations are nearing completion and two papers with their results are in preparation.

  7. CLUSTER CHEMISTRY

    SciTech Connect

    Muetterties, Earl L.

    1980-05-01

    Metal cluster chemistry is one of the most rapidly developing areas of inorganic and organometallic chemistry. Prior to 1960 only a few metal clusters were well characterized. However, shortly after the early development of boron cluster chemistry, the field of metal cluster chemistry began to grow at a very rapid rate and a structural and a qualitative theoretical understanding of clusters came quickly. Analyzed here is the chemistry and the general significance of clusters with particular emphasis on the cluster research within my group. The importance of coordinately unsaturated, very reactive metal clusters is the major subject of discussion.

  8. Combined temperature-programmed reaction and in-situ x-ray scattering studies of size-selected silver clusters under realistic reaction conditions in the epoxidation of propene.

    SciTech Connect

    Vajda, S.; Lee, S.; Sell, K.; Barke, I.; Kleibert, A.; von Oeynhausen, V.; Meiwes-Broer, K. H.; Rodriguez, A. F.; Elam, J. W.; Pellin, M. M.; Lee, B.; Seifert, S.; Winans, R. W.; Yale Univ.; Univ. Rostock; Swiss Light Source

    2009-09-28

    The catalytic activity and dynamical shape changes in size-selected nanoclusters at work are studied under realistic reaction conditions by using a combination of simultaneous temperature-programmed reaction with in situ grazing-incidence small angle x-ray scattering. This approach allows drawing a direct correlation between nanocatalyst size, composition, shape, and its function under realistic reaction conditions for the first time. The approach is illustrated in a chemical industry highly relevant selective partial oxidation of propene on a monodisperse silver nanocatalyst. The shape of the catalyst undergoes rapid change already at room temperature upon the exposure to the reactants, followed by a complex evolution of shape with increasing temperature. Acrolein formation is observed around 50 C while the formation of the propylene oxide exhibits a sharp onset at 80 C and is leveling off at 150 C. At lower temperatures acrolein is produced preferentially to propylene oxide; at temperatures above 100 C propylene oxide is favored.

  9. Cough and Cold Medicine Abuse

    MedlinePlus

    ... and Cold Medicine Abuse DrugFacts: Cough and Cold Medicine Abuse Email Facebook Twitter Revised May 2014 Some ... diverted for abuse. How Are Cough and Cold Medicines Abused? Cough and cold medicines are usually consumed ...

  10. Energetics of H 2O dissociation and CO ads+OH ads reaction on a series of Pt-M mixed metal clusters: a relativistic density-functional study

    NASA Astrophysics Data System (ADS)

    Ishikawa, Yasuyuki; Liao, Meng-Sheng; Cabrera, Carlos R.

    2002-07-01

    A relativistic density-functional study of CO adsorption, the energetics of H 2O dehydrogenation, and the CO ads+OH ads reaction has been carried out on a series of Pt-M mixed metal clusters. The metal surface-vacuum interface simulation provides insight into the mechanism of CO ads oxidation on Pt-based bi-functional catalysts. The secondary metals (M) examined are Ru, Sn, Mo, W, Re, Os, Rh, Ir, Cu, Zn, Ge, Pb, and Zr. Cluster models of Pt nM 10- n were used to simulate the catalyst surfaces. The CO ads(Pt) adsorption energies on Pt, Pt-C and C-O bond lengths, force constants, stretching frequencies in mixed Pt-M surfaces are calculated. On the basis of the calculated adsorption energies of H 2O, OH, and H, the reaction energies and activation barriers for H 2O ads(M) dissociation on the M site are estimated. For most of the mixed Pt-M metal surfaces, the presence of M weakens the Pt-C bond and lowers the C-O stretching frequency. The CO ads(Pt) adsorption energy is decreased dramatically by the presence of Mo, W, Os, and Re. These metals also show much higher activity as bi-functional catalysts toward H 2O ads(M) dissociation and formation of OH ads(M) than does pure Pt. However, the oxidative removal of CO ads(Pt) by OH ads(M) is not as favorable on bi-metallic Pt-Mo, Pt-W, Pt-Os, and Pt-Re as on pure Pt, because these alloying metals adsorb OH too strongly. On the basis of the energetics of both H 2O ads(M) dissociation and the CO ads(Pt)+OH ads(M) combination reaction, the best alloying metals for CO oxidation are predicted to be Mo, W, and Os, with Ru following closely.

  11. Sulfur-based redox reactions in Mo3S7(4+) and Mo3S4(4+) clusters bearing halide and 1,2-dithiolene ligands: a mass spectrometric and density functional theory study.

    PubMed

    Llusar, Rosa; Polo, Victor; Velez, Ederley; Vicent, Cristian

    2010-09-01

    The gas phase fragmentation reactions of sulfur-rich [Mo(3)S(7)Br(6)](2-) (1(2-)), [Mo(3)S(7)(bdt)(3)](2-) (2(2-)), and [Mo(3)S(4)(bdt)(3)](2-) (3(2-)) (bdt = benzenedithiolate) complexes have been investigated by electrospray ionization (ESI) tandem mass spectrometry and theoretical calculations at the density functional theory level. Upon collision induced dissociation (CID) conditions, the brominated 1(2-) dianion dissociates through two sequential steps that involves a heterolytic Mo-Br cleavage to give [Mo(3)S(7)Br(5)](-) plus Br(-) followed by a two-electron redox process that affords [Mo(3)S(5)Br(5)](-) and diatomic S(2) sulfur. Dianion [Mo(3)S(7)(bdt)(3)](2-) (2(2-)) dissociates through two sequential redox processes evolving diatomic S(2) sulfur and neutral bdt to yield [Mo(3)S(5)(bdt)(3)](2-) and [Mo(3)S(5)(bdt)(2)](2-), respectively. Conversely, dianion [Mo(3)S(4)(bdt)(3)](2-) (3(2-)), with sulfide instead of disulfide S(2)(2-) bridged ligands, remains intact under identical fragmentation conditions, thus highlighting the importance of disulfide ligands (S(2)(2-)) as electron reservoirs to trigger redox reactions. Regioselective incorporation of (34)S and Se at the equatorial position of the Mo(3)S(7) cluster core in 1(2-) and 2(2-) have been used to identify the product ions along the fragmentation pathways. Reaction mechanisms for the gas-phase dissociation pathways have been elucidated by means of B3LYP calculations, and a comparison with the solution reactivity of Mo(3)S(7) and Mo(3)S(4) clusters as well as closely related Mo/S/dithiolene systems is also discussed.

  12. Role of (H2O)(n) (n = 2-3) Clusters on the HO2 + O3 Reaction: A Theoretical Study.

    PubMed

    Viegas, Luís P; Varandas, António J C

    2016-03-01

    We report a theoretical investigation on the role of the water dimer and trimer in the reaction between the hydroperoxyl radical and ozone. This study is part of an ongoing series of research endeavors that intend to deliver a comprehensive understanding on the role of water on this reaction. Due to the complexity of the potential energy surface, and to be able to make comparisons with our previous works, our calculations have employed model chemistries based on the Kohn-Sham DFT formalism. It is found that the calculated reaction paths share a common scheme, not only in the context of this work, but also in consideration of our previous studies. Also, oxygen-abstraction barriers are always submerged, with the relative energy between the hydrogen- and oxygen-abstraction saddle-points increasing with the number of water molecules, which maintain an apparent spectator role. Finally, we report novel HO2···(H2O)3 and HO3···(H2O)n complexes originating from our reaction schemes. PMID:26426203

  13. Response to "Comment on 'Analyses of bifurcation of reaction pathways on a global reaction route map: A case study of gold cluster Au5"' [J. Chem. Phys. 143, 177101 (2015)].

    PubMed

    Harabuchi, Yu; Ono, Yuriko; Maeda, Satoshi; Taketsugu, Tetsuya

    2015-11-01

    The existence of a valley-ridge transition (VRT) point along the intrinsic reaction coordinate does not always indicate the existence of two minima in the product side, but VRT is a sign of bifurcating nature of dynamical trajectories running on the potential energy surface. It is demonstrated by molecular dynamics simulations.

  14. Supersonic Bare Metal Cluster Beams. Technical Progress Report, March 16, 1984 - April 1, 1985

    DOE R&D Accomplishments Database

    Smalley, R. E.

    1985-01-01

    There have been four major areas of concentration for the study of bare metal cluster beams: neutral cluster, chemical reactivity, cold cluster ion source development (both positive and negative), bare cluster ion ICR (ion cyclotron resonance) development, and photofragmentation studies of bare metal cluster ions.

  15. Supersonic metal cluster beams. Technical progress report, March 16, 1984-April 1, 1985

    SciTech Connect

    Smalley, R.E.

    1985-01-01

    There have been four major areas of concentration for the study of bare metal cluster beams: neutral cluster, chemical reactivity, cold cluster ion source development (both positive and negative), bare cluster ion ICR (ion cyclotron resonance) development, and photofragmentation studies of bare metal cluster ions.

  16. Cold Fusion Has Now Come Out of the Cold

    NASA Astrophysics Data System (ADS)

    Storms, Edmund

    2003-10-01

    The phenomenon called cold fusion or LENR (Low-Energy-Nuclear-Reaction) has now achieved a level of reproducibility and understanding that warrants re-examination of the claims. A summary of what is known and want is being done worldwide to obtain more knowledge will be given. Rather than disappearing as better data are obtained, the effects are becoming more reproducible and of greater magnitude. Justification for this claim can be obtained at www.LENR-CANR.org. The phenomenon is too important to ignore any longer even though it conflicts with conventional theory.

  17. How cold is cold dark matter?

    SciTech Connect

    Armendariz-Picon, Cristian; Neelakanta, Jayanth T. E-mail: jtneelak@syr.edu

    2014-03-01

    If cold dark matter consists of particles, these must be non-interacting and non-relativistic by definition. In most cold dark matter models however, dark matter particles inherit a non-vanishing velocity dispersion from interactions in the early universe, a velocity that redshifts with cosmic expansion but certainly remains non-zero. In this article, we place model-independent constraints on the dark matter temperature to mass ratio, whose square root determines the dark matter velocity dispersion. We only assume that dark matter particles decoupled kinetically while non-relativistic, when galactic scales had not entered the horizon yet, and that their momentum distribution has been Maxwellian since that time. Under these assumptions, using cosmic microwave background and matter power spectrum observations, we place upper limits on the temperature to mass ratio of cold dark matter today (away from collapsed structures). These limits imply that the present cold dark matter velocity dispersion has to be smaller than 54 m/s. Cold dark matter has to be quite cold, indeed.

  18. Protection of feet in cold exposure.

    PubMed

    Kuklane, Kalev

    2009-07-01

    The paper summarizes the research on cold protection of feet. There exist several conflicting requirements for the choice of the best suited footwear for cold exposure. These conflicts are related to various environmental factors, protection needs and user comfort issues. In order to reduce such conflicts and simplify the choice of proper footwear the paper suggests dividing the cold into specific ranges that are related to properties and state of water and its possibility to penetrate into, evaporate from or condensate in footwear. The thermo-physiological background and reactions in foot are briefly explained, and main problems and risks related to cold injuries, mechanical injuries and slipping discussed. Footwear thermal insulation is the most important factor for protection against cold. The issues related to measuring the insulation and the practical use of measured values are described, but also the effect of socks, and footwear size. Other means for reducing heat losses, such as PCM and electrical heating are touched. The most important variable that affects footwear thermal insulation and foot comfort is moisture in footwear. In combination with motion they may reduce insulation and thus protection against cold by 45%. The paper includes recommendations for better foot comfort in cold.

  19. Dealing with chemical reaction pathways and electronic excitations in molecular systems via renormalized and active-space coupled-cluster methods

    SciTech Connect

    Piecuch, Piotr; Li, Wei; Lutz, Jesse J.; Włoch, Marta; Gour, Jeffrey R.

    2015-01-22

    Coupled-cluster (CC) theory has become the de facto standard for high-accuracy molecular calculations, but the widely used CC and equation-of-motion (EOM) CC approaches, such as CCSD(T) and EOMCCSD, have difficulties with capturing stronger electron correlations that characterize multi-reference molecular problems. This presentation demonstrates that many of these difficulties can be addressed by exploiting the completely renormalized (CR) CC and EOMCC approaches, such as CR-CC(2,3), CR-EOMCCSD(T), and CR-EOMCC(2,3), and their local correlation counterparts applicable to systems with hundreds of atoms, and the active-space CC/EOMCC approaches, such as CCSDt and EOMCCSDt, and their extensions to valence systems via the electron-attached and ionized formalisms.

  20. Cold nuclear fusion

    NASA Astrophysics Data System (ADS)

    Tsyganov, E. N.; Bavizhev, M. D.; Buryakov, M. G.; Dabagov, S. B.; Golovatyuk, V. M.; Lobastov, S. P.

    2015-07-01

    If target deuterium atoms were implanted in a metal crystal in accelerator experiments, a sharp increase in the probability of DD-fusion reaction was clearly observed when compared with the reaction's theoretical value. The electronic screening potential, which for a collision of free deuterium atoms is about 27 eV, reached 300-700 eV in the case of the DD-fusion in metallic crystals. These data leads to the conclusion that a ban must exist for deuterium atoms to be in the ground state 1s in a niche filled with free conduction electrons. At the same time, the state 2p whose energy level is only 10 eV above that of state 1s is allowed in these conditions. With anisotropy of 2p, 3p or above orbitals, their spatial positions are strictly determined in the lattice coordinate system. When filling out the same potential niches with two deuterium atoms in the states 2p, 3p or higher, the nuclei of these atoms can be permanently positioned without creating much Coulomb repulsion at a very short distance from each other. In this case, the transparency of the potential barrier increases dramatically compared to the ground state 1s for these atoms. The probability of the deuterium nuclei penetrating the Coulomb barrier by zero quantum vibration of the DD-system also increases dramatically. The so-called cold nuclear DD-fusion for a number of years was registered in many experiments, however, was still rejected by mainstream science for allegedly having no consistent scientific explanation. Finally, it received the validation. Below, we outline the concept of this explanation and give the necessary calculations. This paper also considers the further destiny of the formed intermediate state of 4He∗.

  1. Cold fusion: The scientific fiasco of the century

    SciTech Connect

    Huizenga, J.R.

    1992-01-01

    A summary of the cold fusion fiasco, its history, claims, experimental questions, are presented in this book. The author gives in some detail good reasons why cold fusion has been disregarded by mainstream science. Disturbing questions about the behavior of scientific investigators and reactions to such events are raised.

  2. Evidence from FTIR difference spectroscopy that D1-Asp61 influences the water reactions of the oxygen-evolving Mn4CaO5 cluster of photosystem II.

    PubMed

    Debus, Richard J

    2014-05-13

    Understanding the mechanism of photosynthetic water oxidation requires characterizing the reactions of the water molecules that serve as substrate or that otherwise interact with the oxygen-evolving Mn4CaO5 cluster. FTIR difference spectroscopy is a powerful tool for studying the structural changes of hydrogen bonded water molecules. For example, the O-H stretching mode of water molecules having relatively weak hydrogen bonds can be monitored near 3600 cm(-1), the D-O-D bending mode can be monitored near 1210 cm(-1), and highly polarizable networks of hydrogen bonds can be monitored as broad features between 3000 and 2000 cm(-1). The two former regions are practically devoid of overlapping vibrational modes from the protein. In Photosystem II, water oxidation requires a precisely choreographed sequence of proton and electron transfer steps in which proton release is required to prevent the redox potential of the Mn4CaO5 cluster from rising to levels that would prevent its subsequent oxidation. Proton release takes place via one or more proton egress pathways leading from the Mn4CaO5 cluster to the thylakoid lumen. There is growing evidence that D1-D61 is the initial residue of one dominant proton egress pathway. This residue interacts directly with water molecules in the first and second coordination spheres of the Mn4CaO5 cluster. In this study, we explore the influence of D1-D61 on the water reactions accompanying oxygen production by characterizing the FTIR properties of the D1-D61A mutant of the cyanobacterium, Synechocystis sp. PCC 6803. On the basis of mutation-induced changes to the carbonyl stretching region near 1747 cm(-1), we conclude that D1-D61 participates in the same extensive networks of hydrogen bonds that have been identified previously by FTIR studies. On the basis of mutation-induced changes to the weakly hydrogen-bonded O-H stretching region, we conclude that D1-D61 interacts with water molecules that are located near the Cl(-)(1) ion and that

  3. Cluster structures of 18O and 20O up to 20 MeV excitation energy from the (7Li, p)-reaction

    NASA Astrophysics Data System (ADS)

    Dorsch, T.; Bohlen, H. G.; von Oertzen, W.; Krücken, R.; Faestermann, T.; Mahgoub, M.; Kokalova, T.; Wheldon, C.; Milin, M.; Wirth, H.; Hertenberger, R.

    2008-05-01

    We studied the band structure of 18O and 20O using the (7Li, p)-reaction at an incident energy of 44 MeV on 12C and 14C targets. Spectra have been measured from the ground state up to 20 MeV excitation energy. We found 27 and 38 new states for 18O and 20O, respectively. The even-parity bands have been analysed up to now, i.e., some bands were extended by further members. The 0+ band head of the molecular band in 18O at 7.796(5) MeV was identified for the first time.

  4. Reactions of metal ions and their clusters in the gas phase using laser ionization: Fourier transform mass spectrometry. Progress report, February 1, 1993--January 31, 1994

    SciTech Connect

    Freiser, B.S.

    1993-09-01

    This report focuses on progress in seven areas: (1) Gas-Phase Reactions of Fe(Benzyne){sup +} with Simple Alkyl Halides; (2) Photodissociation and Collision-Induced Dissociation of Molecular Ions From Methylphenol and Chloromethylphenol; (3) Isotopomer Differentiation Using Metal Ion Chemical Ionization Reagents; (4) Multiple Excitation Collisional Activation (MECA) in Fourier Transform Mass Spectrometry; (5) Chemistry of Fe{sup +}-Arene Ions with Halobenzenes; (6) Gas-Phase Photodissociaton Study of Ag(Benzene){sup +} and Ag(Toluene){sup +}; and (7) Reactivity of Ti{sup 2+} and V{sup 2+} with Small Alkanes.

  5. Dynamical cluster-decay model for hot and rotating light-mass nuclear systems applied to the low-energy {sup 32}S+{sup 24}Mg{yields}{sup 56}Ni{sup *} reaction

    SciTech Connect

    Gupta, Raj K.; Kumar, Rajesh; Singh, Dalip; Balasubramaniam, M.; Beck, C.

    2005-01-01

    The dynamical cluster-decay model (DCM) is developed further for the decay of hot and rotating compound nuclei (China) formed in light heavy-ion reactions. The model is worked out in terms of only one parameter, namely the neck-length parameter, which is related to the total kinetic energy TKE(T) or effective Q value Q{sub eff}(T) at temperature T of the hot CN and is defined in terms of the CN binding energy and ground-state binding energies of the emitted fragments. The emission of both the light particles (LP), with A{<=}4,Z{<=}2, as well as the complex intermediate mass fragments (IMF), with 42, is considered as the dynamical collective mass motion of preformed clusters through the barrier. Within the same dynamical model treatment, the LPs are shown to have different characteristics compared to those of the IMFs. The systematic variations of the LP emission cross section {sigma}{sub LP} and IMF emission cross section {sigma}{sub IMF} calculated from the present DCM match exactly the statistical fission model predictions. A nonstatistical dynamical description is developed for the first time for emission of light particles from hot and rotating CN. The model is applied to the decay of {sup 56}Ni* formed in the {sup 32}S+{sup 24}Mg reaction at two incident energies E{sub c.m.}=51.6 and 60.5 MeV. Both the IMFs and average TKE{sup lowbar} spectra are found to compare resonably well with the experimental data, favoring asymmetric mass distributions. The LPs' emission cross section is shown to depend strongly on the type of emitted particles and their multiplicities.

  6. Cold pool dissipation

    NASA Astrophysics Data System (ADS)

    Grant, Leah D.; Heever, Susan C.

    2016-02-01

    The mechanisms by which sensible heat fluxes (SHFs) alter cold pool characteristics and dissipation rates are investigated in this study using idealized two-dimensional numerical simulations and an environment representative of daytime, dry, continental conditions. Simulations are performed with no SHFs, SHFs calculated using a bulk formula, and constant SHFs for model resolutions with horizontal (vertical) grid spacings ranging from 50 m (25 m) to 400 m (200 m). In the highest resolution simulations, turbulent entrainment of environmental air into the cold pool is an important mechanism for dissipation in the absence of SHFs. Including SHFs enhances cold pool dissipation rates, but the processes responsible for the enhanced dissipation differ depending on the SHF formulation. The bulk SHFs increase the near-surface cold pool temperatures, but their effects on the overall cold pool characteristics are small, while the constant SHFs influence the near-surface environmental stability and the turbulent entrainment rates into the cold pool. The changes to the entrainment rates are found to be the most significant of the SHF effects on cold pool dissipation. SHFs may also influence the timing of cold pool-induced convective initiation by altering the environmental stability and the cold pool intensity. As the model resolution is coarsened, cold pool dissipation is found to be less sensitive to SHFs. Furthermore, the coarser resolution simulations not only poorly but sometimes wrongly represent the SHF impacts on the cold pools. Recommendations are made regarding simulating the interaction of cold pools with convection and the land surface in cloud-resolving models.

  7. Cold fusion, Alchemist's dream

    SciTech Connect

    Clayton, E.D.

    1989-09-01

    In this report the following topics relating to cold fusion are discussed: muon catalysed cold fusion; piezonuclear fusion; sundry explanations pertaining to cold fusion; cosmic ray muon catalysed cold fusion; vibrational mechanisms in excited states of D{sub 2} molecules; barrier penetration probabilities within the hydrogenated metal lattice/piezonuclear fusion; branching ratios of D{sub 2} fusion at low energies; fusion of deuterons into {sup 4}He; secondary D+T fusion within the hydrogenated metal lattice; {sup 3}He to {sup 4}He ratio within the metal lattice; shock induced fusion; and anomalously high isotopic ratios of {sup 3}He/{sup 4}He.

  8. Cluster headache

    MedlinePlus

    Histamine headache; Headache - histamine; Migrainous neuralgia; Headache - cluster; Horton's headache; Vascular headache - cluster ... be related to the body's sudden release of histamine (chemical in the body released during an allergic ...

  9. Status of cold fusion (2010).

    PubMed

    Storms, Edmund

    2010-10-01

    The phenomenon called cold fusion has been studied for the last 21 years since its discovery by Profs. Fleischmann and Pons in 1989. The discovery was met with considerable skepticism, but supporting evidence has accumulated, plausible theories have been suggested, and research is continuing in at least eight countries. This paper provides a brief overview of the major discoveries and some of the attempts at an explanation. The evidence supports the claim that a nuclear reaction between deuterons to produce helium can occur in special materials without application of high energy. This reaction is found to produce clean energy at potentially useful levels without the harmful byproducts normally associated with a nuclear process. Various requirements of a model are examined.

  10. Status of cold fusion (2010)

    NASA Astrophysics Data System (ADS)

    Storms, Edmund

    2010-10-01

    The phenomenon called cold fusion has been studied for the last 21 years since its discovery by Profs. Fleischmann and Pons in 1989. The discovery was met with considerable skepticism, but supporting evidence has accumulated, plausible theories have been suggested, and research is continuing in at least eight countries. This paper provides a brief overview of the major discoveries and some of the attempts at an explanation. The evidence supports the claim that a nuclear reaction between deuterons to produce helium can occur in special materials without application of high energy. This reaction is found to produce clean energy at potentially useful levels without the harmful byproducts normally associated with a nuclear process. Various requirements of a model are examined.

  11. X-ray Crystallography of A Metalloprotein: A Reaction Intermediate of Heme Oxygenase

    NASA Astrophysics Data System (ADS)

    Unno, Masaki; Matsui, Toshitaka; Ikeda-Saito, Masao

    X-ray crystallographic analysis of a metalloprotein requires knowing the electronic state of the metal center, if one wants to elucidate the exact function and/or reaction mechanism. As an example, we show our recent structural analysis of the heme oxygenase reaction intermediate which is involved in the third step of the heme degradation reaction. The reaction intermediate was crystallized under anaerobic condition, and the obtained crystals were frozen into liquid nitrogen. The absorption spectra of the single crystal before and after X-ray irradiation were compared with that of the frozen solution in 100 K cold nitrogen stream. The determined structure offers the first solid evidence for the presence of a water cluster in the distal pocket of this catalytically critical intermediate. This structure combined with the QM/MM calculation supports our proposal that the biliverdin is produced via Fe-OOH verdoheme intermediate.

  12. Cold stress and the cold pressor test.

    PubMed

    Silverthorn, Dee U; Michael, Joel

    2013-03-01

    Temperature and other environmental stressors are known to affect blood pressure and heart rate. In this activity, students perform the cold pressor test, demonstrating increased blood pressure during a 1- to 2-min immersion of one hand in ice water. The cold pressor test is used clinically to evaluate autonomic and left ventricular function. This activity is easily adapted to an inquiry format that asks students to go to the scientific literature to learn about the test and then design a protocol for carrying out the test in classmates. The data collected are ideal for teaching graphical presentation of data and statistical analysis.

  13. Meaningful Clusters

    SciTech Connect

    Sanfilippo, Antonio P.; Calapristi, Augustin J.; Crow, Vernon L.; Hetzler, Elizabeth G.; Turner, Alan E.

    2004-05-26

    We present an approach to the disambiguation of cluster labels that capitalizes on the notion of semantic similarity to assign WordNet senses to cluster labels. The approach provides interesting insights on how document clustering can provide the basis for developing a novel approach to word sense disambiguation.

  14. Abell Clusters

    NASA Astrophysics Data System (ADS)

    Katgert, P.; Murdin, P.

    2000-11-01

    Abell clusters are the most conspicuous groupings of galaxies identified by George Abell on the plates of the first photographic survey made with the SCHMIDT TELESCOPE at Mount Palomar in the 1950s. Sometimes, the term Abell clusters is used as a synonym of nearby, optically selected galaxy clusters....

  15. Thermochemistry of the activation of N{sub 2} on iron cluster cations: Guided ion beam studies of the reactions of Fe{sub n}{sup +} (n=1-19) with N{sub 2}

    SciTech Connect

    Tan Lin; Liu Fuyi; Armentrout, P.B.

    2006-02-28

    The kinetic energy dependences of the reactions of Fe{sub n}{sup +} (n=1-19) with N{sub 2} are studied in a guided ion beam tandem mass spectrometer over the energy range of 0-15 eV. In addition to collision-induced dissociation forming Fe{sub m}{sup +} ions, which dominate the product spectra, a variety of Fe{sub m}N{sub 2}{sup +} and Fe{sub m}N{sup +} product ions, where m{<=}n, is observed. All processes are observed to exhibit thresholds. Fe{sub m}{sup +}-N and Fe{sub m}{sup +}-2N bond energies as a function of cluster size are derived from the threshold analysis of the kinetic energy dependences of the endothermic reactions. The trends in this thermochemistry are compared to the isoelectronic D{sub 0}(Fe{sub n}{sup +}-CH), and to bulk phase values. A fairly uniform barrier of 0.48{+-}0.03 eV at 0 K is observed for formation of the Fe{sub n}N{sub 2}{sup +} product ions (n=12, 15-19) and can be related to the rate-limiting step in the Haber process for catalytic ammonia production.

  16. Note: High density pulsed molecular beam for cold ion chemistry.

    PubMed

    Kokish, M G; Rajagopal, V; Marler, J P; Odom, B C

    2014-08-01

    A recent expansion of cold and ultracold molecule applications has led to renewed focus on molecular species preparation under ultrahigh vacuum conditions. Meanwhile, molecular beams have been used to study gas phase chemical reactions for decades. In this paper, we describe an apparatus that uses pulsed molecular beam technology to achieve high local gas densities, leading to faster reaction rates with cold trapped ions. We characterize the beam's spatial profile using the trapped ions themselves. This apparatus could be used for preparation of molecular species by reactions requiring excitation of trapped ion precursors to states with short lifetimes or for obtaining a high reaction rate with minimal increase of background chamber pressure.

  17. Note: High density pulsed molecular beam for cold ion chemistry

    SciTech Connect

    Kokish, M. G.; Rajagopal, V.; Marler, J. P.; Odom, B. C.

    2014-08-15

    A recent expansion of cold and ultracold molecule applications has led to renewed focus on molecular species preparation under ultrahigh vacuum conditions. Meanwhile, molecular beams have been used to study gas phase chemical reactions for decades. In this paper, we describe an apparatus that uses pulsed molecular beam technology to achieve high local gas densities, leading to faster reaction rates with cold trapped ions. We characterize the beam's spatial profile using the trapped ions themselves. This apparatus could be used for preparation of molecular species by reactions requiring excitation of trapped ion precursors to states with short lifetimes or for obtaining a high reaction rate with minimal increase of background chamber pressure.

  18. Cold Sores (HSV-1)

    MedlinePlus

    ... Help a Friend Who Cuts? Cold Sores (HSV-1) KidsHealth > For Teens > Cold Sores (HSV-1) Print A A A Text Size What's in ... person's lips, are caused by herpes simplex virus-1 (HSV-1) . But they don't just show ...

  19. Hot and cold fusion

    SciTech Connect

    Not Available

    1990-08-01

    This article presents an overview of research in cold fusion research and development in cold fusion at the Tokomak Fusion Test Reactor at the Princeton Plasma Physics Lab, and at the inertial containment facility at Lawrence Livermore National Lab. is described.

  20. Liquid metal cold trap

    DOEpatents

    Hundal, Rolv

    1976-01-01

    A cold trap assembly for removing impurities from a liquid metal being provided with a hole between the incoming impure liquid metal and purified outgoing liquid metal which acts as a continuous bleed means and thus prevents the accumulation of cover gases within the cold trap assembly.

  1. The Properties of Cold Clouds in Cooling Flows

    NASA Astrophysics Data System (ADS)

    Daines, S. J.; Fabian, A. C.; Thomas, P. A.

    1994-06-01

    We discuss the properties of the large masses of cold gas found in the central regions of cooling flow clusters via X-ray absorption, and explore some consequences of inefficient star formation in cooling flows. The X-ray-absorbing cold gas must be in the form of small, cold, pressure-confined clouds, whIch are supported against infall in the cluster potential by the hot, X-ray-emitting gas ad approximately comove with it. Magnetic fields are important in supporting ad containing the clouds. Cold gas deposited at large radii in the cooling flow may simply accumulate and have negligible star formation; the inner regions of the cooling flow accumulate dynamically dominant masses of cold gas on a short time-scale and some gas-removal process must be operating. We show that the constraints placed by observational detections and limits of H I ad CO in some flows leave little room there for widespread cold gas in a form which is either atomic or similar to Galactic molecular clouds. Ongoing cluster mergers, or stirring produced by a intermittent central radio source, disrupt accumulated cold clouds in the core of a flow and release enough kinetic or thermal energy via cloud collisions or mixing layers to power transiently the optical emission-line nebulosity around central cluster galaxies. The large masses of disordered clumpy, turbulent atomic gas observed near the centre of the Perseus cluster via 21-cm absorption have probably been stirred up by such an event in the past few billion years.

  2. Cold-fusion television show angers APS

    NASA Astrophysics Data System (ADS)

    Cartwright, Jon

    2009-06-01

    Cold fusion has been controversial since its inception on 23 March 1989, when chemists Martin Fleischmann and Stanley Pons at the University of Utah in the US announced that they had achieved a sustained nuclear-fusion reaction at room temperature. Two decades on, a US television documentary about the field has stirred up fresh debate after it linked the American Physical Society (APS) to an evaluation of some cold-fusion results by Robert Duncan, a physicist and vice chancellor of the University of Missouri.

  3. Optimization of culture conditions for production of a novel cold-active lipase from Pichia lynferdii NRRL Y-7723

    Technology Transfer Automated Retrieval System (TEKTRAN)

    Lipases with abnormal properties such as thermo stability, alkalinity, acidity and cold-activity receive industrial attention because of their usability under restricted reaction conditions. Most microbial cold-active lipases originate from psychrotrophic and psychrophilic microorganisms found in An...

  4. Protonated water clusters in TPC's

    NASA Astrophysics Data System (ADS)

    Kaya, Yunus; Kalkan, Yalçın; Veenhof, Rob

    2016-07-01

    Water vapour is added to the ALICE TPC gas to enhance its stability. These polar molecules create large protonated water clusters around a H+ core. In this context, the reactions H3O+(H2 O) n - 1 +H2 O →H3O+(H2O)n (n=1-9) were studied in the gas phase. Structures for these clusters are suggested and the most stable structures for each cluster size are shown. The thermodynamic parameters Δ Hn-1,n0, Δ Gn-1,n0, Δ Sn-1,n0 and equilibrium constants K n - 1 , n for the reaction were calculated to determine the size of the water clusters. The results are close to experimental data found in the literature. Protonated water clusters at stp have a size of 6-9 which corresponds to a mass of 127.1 - 181.2 g / mole.

  5. Cool Cluster Correctly Correlated

    SciTech Connect

    Varganov, Sergey Aleksandrovich

    2005-01-01

    Atomic clusters are unique objects, which occupy an intermediate position between atoms and condensed matter systems. For a long time it was thought that physical and chemical properties of atomic dusters monotonically change with increasing size of the cluster from a single atom to a condensed matter system. However, recently it has become clear that many properties of atomic clusters can change drastically with the size of the clusters. Because physical and chemical properties of clusters can be adjusted simply by changing the cluster's size, different applications of atomic clusters were proposed. One example is the catalytic activity of clusters of specific sizes in different chemical reactions. Another example is a potential application of atomic clusters in microelectronics, where their band gaps can be adjusted by simply changing cluster sizes. In recent years significant advances in experimental techniques allow one to synthesize and study atomic clusters of specified sizes. However, the interpretation of the results is often difficult. The theoretical methods are frequently used to help in interpretation of complex experimental data. Most of the theoretical approaches have been based on empirical or semiempirical methods. These methods allow one to study large and small dusters using the same approximations. However, since empirical and semiempirical methods rely on simple models with many parameters, it is often difficult to estimate the quantitative and even qualitative accuracy of the results. On the other hand, because of significant advances in quantum chemical methods and computer capabilities, it is now possible to do high quality ab-initio calculations not only on systems of few atoms but on clusters of practical interest as well. In addition to accurate results for specific clusters, such methods can be used for benchmarking of different empirical and semiempirical approaches. The atomic clusters studied in this work contain from a few atoms to

  6. Data Clustering

    NASA Astrophysics Data System (ADS)

    Wagstaff, Kiri L.

    2012-03-01

    On obtaining a new data set, the researcher is immediately faced with the challenge of obtaining a high-level understanding from the observations. What does a typical item look like? What are the dominant trends? How many distinct groups are included in the data set, and how is each one characterized? Which observable values are common, and which rarely occur? Which items stand out as anomalies or outliers from the rest of the data? This challenge is exacerbated by the steady growth in data set size [11] as new instruments push into new frontiers of parameter space, via improvements in temporal, spatial, and spectral resolution, or by the desire to "fuse" observations from different modalities and instruments into a larger-picture understanding of the same underlying phenomenon. Data clustering algorithms provide a variety of solutions for this task. They can generate summaries, locate outliers, compress data, identify dense or sparse regions of feature space, and build data models. It is useful to note up front that "clusters" in this context refer to groups of items within some descriptive feature space, not (necessarily) to "galaxy clusters" which are dense regions in physical space. The goal of this chapter is to survey a variety of data clustering methods, with an eye toward their applicability to astronomical data analysis. In addition to improving the individual researcher’s understanding of a given data set, clustering has led directly to scientific advances, such as the discovery of new subclasses of stars [14] and gamma-ray bursts (GRBs) [38]. All clustering algorithms seek to identify groups within a data set that reflect some observed, quantifiable structure. Clustering is traditionally an unsupervised approach to data analysis, in the sense that it operates without any direct guidance about which items should be assigned to which clusters. There has been a recent trend in the clustering literature toward supporting semisupervised or constrained

  7. COLD-PCR: Applications and Advantages.

    PubMed

    Zuo, Zhuang; Jabbar, Kausar J

    2016-01-01

    Co-amplification at lower denaturation temperature-based polymerase chain reaction (COLD-PCR) is a single-step amplification method that results in the enhancement of both known and unknown minority alleles during PCR, irrespective of mutation type and position. This method is based on exploitation of the critical temperature, Tc, at which mutation-containing DNA is preferentially melted over wild type. COLD-PCR can be a good strategy for mutation detection in specimens with high nonneoplastic cell content, small specimens in which neoplastic cells are difficult to micro-dissect and therefore enrich, and whenever a mutation is suspected to be present but is undetectable using conventional PCR and sequencing methods. We describe in this chapter our COLD-PCR-based pyrosequencing method for KRAS mutation detection in various clinical samples using DNA extracted from either fresh or fixed paraffin-embedded tissue specimens.

  8. Cold wave lotion poisoning

    MedlinePlus

    Thioglycolate poisoning ... Below are symptoms of cold wave lotion poisoning in different parts of the body. EYES, EARS, NOSE, AND THROAT Mouth irritation Burning and redness of the eyes Possibly serious damage to ...

  9. Colds and flus - antibiotics

    MedlinePlus

    Fashner J, Ericson K, Werner S. Treatment of the common cold in children and adults. Am Fam Physician. 2012; ... gov/pubmed/22962927 . Melio FR, Berge LR. Upper respiratory tract infections. In: Marx JA, Hockberger RS, Walls RM, et ...

  10. Cold Hardening in Citrus Stems

    PubMed Central

    Yelenosky, George

    1975-01-01

    Stem cold hardening developed to different levels in citrus types tested in controlled environments. Exotherms indicated ice spread was more uniform and rapid in unhardened than in cold-hardened stems. All attempts to inhibit the functioning of citrus leaves resulted in less cold hardening in the stems. Citrus leaves contribute a major portion of cold hardening in the wood. PMID:16659340

  11. Teaching in a Cold Environment.

    ERIC Educational Resources Information Center

    Ewert, Alan

    1979-01-01

    Designed to help teachers deal with students in a cold environment, this article explains cold physiology and fundamental laws of heat; describes 14 common cold injuries and their current treatment; and lists a number of useful teaching techniques for cold environments. (SB)

  12. Teaching in a Cold Environment.

    ERIC Educational Resources Information Center

    Ewert, Alan

    Instructors who teach outdoors in an environment so cold as to cause injury must satisfy program objectives while avoiding cold injury to themselves and students, help students focus on learning instead of discomfort, and alleviate some students' intense fear of the cold. Dealing with the cold successfully requires a thorough knowledge of:…

  13. The physics and modes of star cluster formation: observations.

    PubMed

    Lada, Charles J

    2010-02-28

    Stellar clusters are born in cold and dusty molecular clouds and the youngest clusters are embedded to various degrees in a dusty dark molecular material. Such embedded clusters can be considered protocluster systems. The most deeply buried examples are so heavily obscured by dust that they are only visible at infrared wavelengths. These embedded protoclusters constitute the nearest laboratories for a direct astronomical investigation of the physical processes of cluster formation and early evolution. I review the present state of empirical knowledge concerning embedded-cluster systems and discuss the implications for understanding their formation and subsequent evolution to produce bound stellar clusters.

  14. Pseudomonas spp. and Serratia liquefaciens as Predominant Spoilers in Cold Raw Milk.

    PubMed

    Machado, Solimar G; da Silva, Fernanda L; Bazzolli, Denise M S; Heyndrickx, Marc; Costa, Paulo M de A; Vanetti, Maria Cristina D

    2015-08-01

    The storage of fresh raw milk at low temperature does not prevent proliferation of psychrotrophic bacteria that can produce heat-resistant proteolytic enzymes contributing to the reduced shelf life of dairy products. This study aimed to identify the dominant psychrotrophic proteolytic enzyme-producing population of raw milk from Brazil. Raw milk samples collected in 3 different cooling tanks in Brazil were stored at optimal (45 h at 4 °C followed by 3 h at 7 °C) and suboptimal (45 h at 7 °C followed by 3 h at 10 °C) conditions to simulate farm storage and transportation allowed by Brazilian laws. The highly proteolytic enzyme-producing strains isolated from stored cold raw milk were characterized by repetitive sequence-based Polymerase Chain Reaction (PCR) analysis. This clustering resulted in 8 different clusters and 4 solitary fingerprints. The most proteolytic isolates from each rep-cluster were selected for identification using miniaturized kit, 16S rDNA and rpoB gene sequencing. Serratia liquefaciens (73.9%) and Pseudomonas spp. (26.1%) were identified as the dominant psychrotrophic microorganisms with high spoilage potential. The knowledge of milk spoilage microbiota will contribute to improved quality of milk and dairy products.

  15. Pseudomonas spp. and Serratia liquefaciens as Predominant Spoilers in Cold Raw Milk.

    PubMed

    Machado, Solimar G; da Silva, Fernanda L; Bazzolli, Denise M S; Heyndrickx, Marc; Costa, Paulo M de A; Vanetti, Maria Cristina D

    2015-08-01

    The storage of fresh raw milk at low temperature does not prevent proliferation of psychrotrophic bacteria that can produce heat-resistant proteolytic enzymes contributing to the reduced shelf life of dairy products. This study aimed to identify the dominant psychrotrophic proteolytic enzyme-producing population of raw milk from Brazil. Raw milk samples collected in 3 different cooling tanks in Brazil were stored at optimal (45 h at 4 °C followed by 3 h at 7 °C) and suboptimal (45 h at 7 °C followed by 3 h at 10 °C) conditions to simulate farm storage and transportation allowed by Brazilian laws. The highly proteolytic enzyme-producing strains isolated from stored cold raw milk were characterized by repetitive sequence-based Polymerase Chain Reaction (PCR) analysis. This clustering resulted in 8 different clusters and 4 solitary fingerprints. The most proteolytic isolates from each rep-cluster were selected for identification using miniaturized kit, 16S rDNA and rpoB gene sequencing. Serratia liquefaciens (73.9%) and Pseudomonas spp. (26.1%) were identified as the dominant psychrotrophic microorganisms with high spoilage potential. The knowledge of milk spoilage microbiota will contribute to improved quality of milk and dairy products. PMID:26189559

  16. Temperature and heat production patterns inside organism clusters

    NASA Astrophysics Data System (ADS)

    Kyaw Tha Paw, U.

    1988-06-01

    Clustering of organisms under cold air temperature conditions is modelled with a finite-difference method. Metabolic functions of temperature are used to simulate completely ectothermic, completely endothermic, and other organisms. To adequately match real conditions, the core temperature is kept constant at a high level, while the periphery of the organism cluster is assigned a lower temperature representing the cold conditions under which clustering is observed for organisms. The numerical model reasonably predicts the observed temperature distribution in honeybee clusters. The results do not support suggestions that organisms could overheat in the core of a cluster if they do not use thermoregulatory mechanisms to cool down. Endothermic organisms are not as efficient as ectothermic ones in heating a cluster core temperature to a given level. The general ectothermic metabolic rate function exhibited one of the highest efficiencies for heating the cluster.

  17. A family-based investigation of cold pain tolerance.

    PubMed

    Birklein, F; Depmeier, C; Rolke, R; Hansen, C; Rautenstrauss, B; Prawitt, D; Magerl, W

    2008-08-15

    In the present study the question was addressed whether sensitivity to experimental pain stimuli differs between families, which are previously characterized by the degree of cold tolerance (very insensitive or very sensitive) of one family member. A total of 232 healthy medical students were screened for cold pain tolerance employing a cold pressor test. Subsequently 50 of them were investigated in detail under laboratory conditions. The water temperature was 1 degrees C, the maximum time in water 3 min, cold pain was rated on a 101 step numerical rating scale every 10s. Two of the most cold pain sensitive (shortest time in ice water) and insensitive (lowest ratings) students were selected and as many as possible of their family members were recruited. In all of them cold pressor test, pinprick pain threshold, pressure pain threshold, skin temperature, hospital anxiety and depression scale and COMT val158met polymorphism (with the exception of three individuals) were assessed. Analysis (ANOVA) revealed that the cold pressor results of the students predicted the mean ratings (p<0.04) and the time in ice water (p<0.03) of their own families. Furthermore, pinprick pain threshold (p<0.002) and to a lesser extent pressure pain thresholds (p<0.03) were significantly related to cold pain tolerance. The other variables, including the COMT polymorphism, were not related to cold pain tolerance in our study. In conclusion our results suggest that cold pain tolerance may be at least partially inherited. Genetic or environmental factors might explain family clustering of cold pain sensitivity.

  18. Analogs of the giant dipole and spin-dipole resonances in {sup 4}He and in {alpha} clusters of {sup 6,7}Li studied by the {sup 4}He,{sup 6,7}Li({sup 7}Li,{sup 7}Be{gamma}) reactions

    SciTech Connect

    Nakayama, S.; Matsumoto, E.; Fushimi, K.; Hayami, R.; Kawasuso, H.; Yasuda, K.; Yamagata, T.; Akimune, H.; Ikemizu, H.; Asaji, S.; Ishida, T.; Kudoh, T.; Sagara, K.; Fujiwara, M.; Hashimoto, H.; Kawase, K.; Nakanishi, K.; Oota, T.; Yosoi, M.; Greenfield, M. B.

    2008-07-15

    We studied analogs of the giant dipole resonance (GDR) and spin-dipole resonance (SDR) in {sup 4}He and in the {alpha} clusters of {sup 6,7}Li via the ({sup 7}Li,{sup 7}Be{gamma}) reactions on {sup 4}He, {sup 6}Li, and {sup 7}Li at an incident energy of 455 MeV and at a scattering angle of 0 deg. by measuring spin-nonflip and spin-flip spectra. The reaction Q-values for the analogs of the GDR and SDR in the {alpha} clusters of {sup 6,7}Li were found to be more negative than those in {sup 4}He by 2.0{+-}0.5 MeV. The ratios of the cross section for the analog of the GDR to that for the analog of the SDR in {sup 4}He and in the {alpha} clusters of {sup 6}Li and {sup 7}Li were found to be the same within errors, 0.5{+-}0.1. The cross sections for the analogs of the GDR as well as those for the analogs of the SDR in the {alpha} clusters of {sup 6,7}Li were 0.6{approx}0.8 times smaller than those in {sup 4}He. These results suggest that excitations of {alpha} clusters embedded in nuclei are suppressed as compared with excitations of free {alpha} particles.

  19. Quintuplet Cluster

    NASA Technical Reports Server (NTRS)

    1999-01-01

    Penetrating 25,000 light-years of obscuring dust and myriad stars, NASA's Hubble Space Telescope has provided the clearest view yet of one of the largest young clusters of stars inside our Milky Way galaxy, located less than 100 light-years from the very center of the Galaxy. Having the equivalent mass greater than 10,000 stars like our sun, the monster cluster is ten times larger than typical young star clusters scattered throughout our Milky Way. It is destined to be ripped apart in just a few million years by gravitational tidal forces in the galaxy's core. But in its brief lifetime it shines more brightly than any other star cluster in the Galaxy. Quintuplet Cluster is 4 million years old. It has stars on the verge of blowing up as supernovae. It is the home of the brightest star seen in the galaxy, called the Pistol star. This image was taken in infrared light by Hubble's NICMOS camera in September 1997. The false colors correspond to infrared wavelengths. The galactic center stars are white, the red stars are enshrouded in dust or behind dust, and the blue stars are foreground stars between us and the Milky Way's center. The cluster is hidden from direct view behind black dust clouds in the constellation Sagittarius. If the cluster could be seen from earth it would appear to the naked eye as a 3rd magnitude star, 1/6th of a full moon's diameter apart.

  20. Common cold outbreaks: A network theory approach

    NASA Astrophysics Data System (ADS)

    Vishkaie, Faranak Rajabi; Bakouie, Fatemeh; Gharibzadeh, Shahriar

    2014-11-01

    In this study, at first we evaluated the network structure in social encounters by which respiratory diseases can spread. We considered common-cold and recorded a sample of human population and actual encounters between them. Our results show that the database structure presents a great value of clustering. In the second step, we evaluated dynamics of disease spread with SIR model by assigning a function to each node of the structural network. The rate of disease spread in networks was observed to be inversely correlated with characteristic path length. Therefore, the shortcuts have a significant role in increasing spread rate. We conclude that the dynamics of social encounters' network stands between the random and the lattice in network spectrum. Although in this study we considered the period of common-cold disease for network dynamics, it seems that similar approaches may be useful for other airborne diseases such as SARS.

  1. Progress toward cold antihydrogen

    SciTech Connect

    Gabrielse, G.; Estrada, J.; Peil, S.; Roach, T.; Tan, J. N.; Yesley, P.

    1999-12-10

    The production and study of cold antihydrogen will require the manipulation of dense and cold, single component plasmas of antiprotons and positrons. The undertaking will build upon the experience of the nonneutral plasma physics community. Annihilations of the antimatter particles in the plasmas can be imaged, offering unique diagnostic opportunities not available to this community when electrons and protons are used. The techniques developed by our TRAP collaboration to capture and cool antiprotons will certainly be used by our expanded ATRAP collaboration, and by the competing ATHENA Collaboration, both working at the nearly completed AD facility of CERN. We recently demonstrated a new techniques for accumulating cold positrons directly into a cryogenic vacuum system. The closest we have come to low energy antihydrogen so far is to confine cold positrons and cold antiprotons within the same trap structure and vacuum container. Finally, we mention that stored electrons have been cooled to 70 mK, the first time that elementary particles have been cooled below 4 K. In such an apparatus it should be possible to study highly magnetized plasmas of electrons or positrons at this new low temperature.

  2. Sleeve reaction chamber system

    DOEpatents

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

    2009-08-25

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

  3. Methanation process utilizing split cold gas recycle

    DOEpatents

    Tajbl, Daniel G.; Lee, Bernard S.; Schora, Jr., Frank C.; Lam, Henry W.

    1976-07-06

    In the methanation of feed gas comprising carbon monoxide and hydrogen in multiple stages, the feed gas, cold recycle gas and hot product gas is mixed in such proportions that the mixture is at a temperature sufficiently high to avoid carbonyl formation and to initiate the reaction and, so that upon complete reaction of the carbon monoxide and hydrogen, an excessive adiabatic temperature will not be reached. Catalyst damage by high or low temperatures is thereby avoided with a process that utilizes extraordinarily low recycle ratios and a minimum of investment in operating costs.

  4. Anomalous deepening of a belt of intraslab earthquakes in the Pacific slab crust under Kanto, central Japan: Possible anomalous thermal shielding, dehydration reactions, and seismicity caused by shallower cold slab material

    USGS Publications Warehouse

    Hasegawa, A.; Nakajima, J.; Kita, S.; Okada, T.; Matsuzawa, T.; Kirby, S.H.

    2007-01-01

    A belt of intraslab seismicity in the Pacific slab crust parallel to iso-depth contours of the plate interface has been found beneath Hokkaido and Tohoku. Hypocenter relocations have shown that this seismic belt does not run parallel to but obliquely to the iso-depth contours beneath Kanto, deepening toward the north from ???100 km to ???140 km depth. The depth limit of the contact zone with the overlying Philippine Sea slab is located close to and parallel to this obliquely oriented seismic belt, suggesting that the deepening of the seismic belt there is caused by the contact with the overlying slab. The contact with this cold slab hinders the heating of the Pacific slab crust by hot mantle wedge, which would cause delay of eclogite-forming phase transformations and hence deepening of the seismic belt there. The depth limit of the subducting low-velocity crust also deepens toward the north, supporting this idea. Copyright 2007 by the American Geophysical Union.

  5. Galaxy Clusters

    NASA Astrophysics Data System (ADS)

    Miller, Christopher J. Miller

    2012-03-01

    There are many examples of clustering in astronomy. Stars in our own galaxy are often seen as being gravitationally bound into tight globular or open clusters. The Solar System's Trojan asteroids cluster at the gravitational Langrangian in front of Jupiter’s orbit. On the largest of scales, we find gravitationally bound clusters of galaxies, the Virgo cluster (in the constellation of Virgo at a distance of ˜50 million light years) being a prime nearby example. The Virgo cluster subtends an angle of nearly 8◦ on the sky and is known to contain over a thousand member galaxies. Galaxy clusters play an important role in our understanding of theUniverse. Clusters exist at peaks in the three-dimensional large-scale matter density field. Their sky (2D) locations are easy to detect in astronomical imaging data and their mean galaxy redshifts (redshift is related to the third spatial dimension: distance) are often better (spectroscopically) and cheaper (photometrically) when compared with the entire galaxy population in large sky surveys. Photometric redshift (z) [Photometric techniques use the broad band filter magnitudes of a galaxy to estimate the redshift. Spectroscopic techniques use the galaxy spectra and emission/absorption line features to measure the redshift] determinations of galaxies within clusters are accurate to better than delta_z = 0.05 [7] and when studied as a cluster population, the central galaxies form a line in color-magnitude space (called the the E/S0 ridgeline and visible in Figure 16.3) that contains galaxies with similar stellar populations [15]. The shape of this E/S0 ridgeline enables astronomers to measure the cluster redshift to within delta_z = 0.01 [23]. The most accurate cluster redshift determinations come from spectroscopy of the member galaxies, where only a fraction of the members need to be spectroscopically observed [25,42] to get an accurate redshift to the whole system. If light traces mass in the Universe, then the locations

  6. Cold sea survival.

    NASA Technical Reports Server (NTRS)

    Veghte, J. H.

    1972-01-01

    Two prototype three-man life rafts were evaluated during the winter months in Arctic waters off Kodiak Island, Alaska, to assess potential survival problems and determine tolerance limits. Each raft incorporated thermal characteristics specifically designed for cold water. Water and air temperatures varied from 0 to +2 C and -5 to +4 C respectively. All subjects were removed upon reaching subjective tolerance. The results showed that none of the clothing assemblies was adequate to maintain a person in comfort even with dry boarding. No significant biochemical shifts in the blood or urine were found. The TUL raft was found to be superior in its thermal characteristics and afforded better subject protection. General tolerance for cold water immersion, wet and dry, and cold water raft exposures are depicted graphically, based on previously reported data.

  7. Assessment of cold stress.

    PubMed

    Holmér, I

    1991-01-01

    Cold stress may be present in terms of a risk for skin surface cooling (wind chill), extremity cooling and whole body cooling. Measures of cold stress differ for the various situations. The most common approach, however, has been to apply more or less complex formulas for heat balance calculations. The combined effect of several climatic factors (air temperature, mean radiant temperature, humidity and air velocity) and the activity level determines the cooling power of the environment. The cooling power can be easily converted into a required insulation value, that applies both to parts of the body and to the body as a whole. The value provides information about cold stress in two ways; (a) by specifying necessary behavioural adjustments in terms of required activity level and clothing insulation level, and (b) by quantifying the thermal imbalance and tolerance time, when protection worn does not provide sufficient insulation.

  8. Cold asymmetrical fermion superfluids

    SciTech Connect

    Caldas, Heron

    2003-12-19

    The recent experimental advances in cold atomic traps have induced a great amount of interest in fields from condensed matter to particle physics, including approaches and prospects from the theoretical point of view. In this work we investigate the general properties and the ground state of an asymmetrical dilute gas of cold fermionic atoms, formed by two particle species having different densities. We have show in a recent paper, that a mixed phase composed of normal and superfluid components is the energetically favored ground state of such a cold fermionic system. Here we extend the analysis and verify that in fact, the mixed phase is the preferred ground state of an asymmetrical superfluid in various situations. We predict that the mixed phase can serve as a way of detecting superfluidity and estimating the magnitude of the gap parameter in asymmetrical fermionic systems.

  9. Occupational Clusters.

    ERIC Educational Resources Information Center

    Pottawattamie County School System, Council Bluffs, IA.

    The 15 occupational clusters (transportation, fine arts and humanities, communications and media, personal service occupations, construction, hospitality and recreation, health occupations, marine science occupations, consumer and homemaking-related occupations, agribusiness and natural resources, environment, public service, business and office…

  10. Natural Variation of Cold Deacclimation Correlates with Variation of Cold-Acclimation of the Plastid Antioxidant System in Arabidopsis thaliana Accessions.

    PubMed

    Juszczak, Ilona; Cvetkovic, Jelena; Zuther, Ellen; Hincha, Dirk K; Baier, Margarete

    2016-01-01

    Temperature variations impact on the balance between photosynthetic electron transport and electron-consuming assimilation reactions and transiently increase generation of reactive oxygen species (ROS). Previous studies demonstrated that the expression of C-repeat binding factors (CBFs), which activate cold acclimation reactions, respond to chloroplast ROS signals and that cold deacclimation is partly halted for days after the transfer of acclimated plants to optimal growth conditions in four Arabidopsis accessions from cold-continental habitats. We hypothesized that these accessions differ from others in the regulation of the plastid antioxidant system (PAS). In the present study, we compared the expression intensity of the 12 most prominent PAS genes for peroxidases, superoxide dismutase and low molecular weight antioxidant regenerating enzymes in 10 Arabidopsis accessions with regulation of CBF and COR (cold regulated genes) transcript levels and cold-regulated metabolite levels prior to cold, after 2 week long cold acclimation and during the first 3 days of deacclimation. In the accessions with prolonged activation of cold responses, by trend, weaker induction of various cold-inducible PAS genes and stronger decreases in the expression of negatively cold-regulated PAS genes were observed. Low PAS gene expression delayed the post-cold decrease in H2O2 levels after transfer of the plants from cold to optimal growth conditions. We conclude that weaker expression of various PAS genes in the cold is an adapted strategy of the Arabidopsis accessions N14, N13, Ms-0, and Kas-1 to avoid full inactivation of cold-responses in the first days after the end of the cold period. PMID:27014325

  11. Natural Variation of Cold Deacclimation Correlates with Variation of Cold-Acclimation of the Plastid Antioxidant System in Arabidopsis thaliana Accessions

    PubMed Central

    Juszczak, Ilona; Cvetkovic, Jelena; Zuther, Ellen; Hincha, Dirk K.; Baier, Margarete

    2016-01-01

    Temperature variations impact on the balance between photosynthetic electron transport and electron-consuming assimilation reactions and transiently increase generation of reactive oxygen species (ROS). Previous studies demonstrated that the expression of C-repeat binding factors (CBFs), which activate cold acclimation reactions, respond to chloroplast ROS signals and that cold deacclimation is partly halted for days after the transfer of acclimated plants to optimal growth conditions in four Arabidopsis accessions from cold-continental habitats. We hypothesized that these accessions differ from others in the regulation of the plastid antioxidant system (PAS). In the present study, we compared the expression intensity of the 12 most prominent PAS genes for peroxidases, superoxide dismutase and low molecular weight antioxidant regenerating enzymes in 10 Arabidopsis accessions with regulation of CBF and COR (cold regulated genes) transcript levels and cold-regulated metabolite levels prior to cold, after 2 week long cold acclimation and during the first 3 days of deacclimation. In the accessions with prolonged activation of cold responses, by trend, weaker induction of various cold-inducible PAS genes and stronger decreases in the expression of negatively cold-regulated PAS genes were observed. Low PAS gene expression delayed the post-cold decrease in H2O2 levels after transfer of the plants from cold to optimal growth conditions. We conclude that weaker expression of various PAS genes in the cold is an adapted strategy of the Arabidopsis accessions N14, N13, Ms-0, and Kas-1 to avoid full inactivation of cold-responses in the first days after the end of the cold period. PMID:27014325

  12. Cluster generator

    DOEpatents

    Donchev, Todor I.; Petrov, Ivan G.

    2011-05-31

    Described herein is an apparatus and a method for producing atom clusters based on a gas discharge within a hollow cathode. The hollow cathode includes one or more walls. The one or more walls define a sputtering chamber within the hollow cathode and include a material to be sputtered. A hollow anode is positioned at an end of the sputtering chamber, and atom clusters are formed when a gas discharge is generated between the hollow anode and the hollow cathode.

  13. Assessment of Approximate Coupled-Cluster and Algebraic-Diagrammatic-Construction Methods for Ground- and Excited-State Reaction Paths and the Conical-Intersection Seam of a Retinal-Chromophore Model.

    PubMed

    Tuna, Deniz; Lefrancois, Daniel; Wolański, Łukasz; Gozem, Samer; Schapiro, Igor; Andruniów, Tadeusz; Dreuw, Andreas; Olivucci, Massimo

    2015-12-01

    As a minimal model of the chromophore of rhodopsin proteins, the penta-2,4-dieniminium cation (PSB3) poses a challenging test system for the assessment of electronic-structure methods for the exploration of ground- and excited-state potential-energy surfaces, the topography of conical intersections, and the dimensionality (topology) of the branching space. Herein, we report on the performance of the approximate linear-response coupled-cluster method of second order (CC2) and the algebraic-diagrammatic-construction scheme of the polarization propagator of second and third orders (ADC(2) and ADC(3)). For the ADC(2) method, we considered both the strict and extended variants (ADC(2)-s and ADC(2)-x). For both CC2 and ADC methods, we also tested the spin-component-scaled (SCS) and spin-opposite-scaled (SOS) variants. We have explored several ground- and excited-state reaction paths, a circular path centered around the S1/S0 surface crossing, and a 2D scan of the potential-energy surfaces along the branching space. We find that the CC2 and ADC methods yield a different dimensionality of the intersection space. While the ADC methods yield a linear intersection topology, we find a conical intersection topology for the CC2 method. We present computational evidence showing that the linear-response CC2 method yields a surface crossing between the reference state and the first response state featuring characteristics that are expected for a true conical intersection. Finally, we test the performance of these methods for the approximate geometry optimization of the S1/S0 minimum-energy conical intersection and compare the geometries with available data from multireference methods. The present study provides new insight into the performance of linear-response CC2 and polarization-propagator ADC methods for molecular electronic spectroscopy and applications in computational photochemistry. PMID:26642989

  14. Assessment of Approximate Coupled-Cluster and Algebraic-Diagrammatic-Construction Methods for Ground- and Excited-State Reaction Paths and the Conical-Intersection Seam of a Retinal-Chromophore Model.

    PubMed

    Tuna, Deniz; Lefrancois, Daniel; Wolański, Łukasz; Gozem, Samer; Schapiro, Igor; Andruniów, Tadeusz; Dreuw, Andreas; Olivucci, Massimo

    2015-12-01

    As a minimal model of the chromophore of rhodopsin proteins, the penta-2,4-dieniminium cation (PSB3) poses a challenging test system for the assessment of electronic-structure methods for the exploration of ground- and excited-state potential-energy surfaces, the topography of conical intersections, and the dimensionality (topology) of the branching space. Herein, we report on the performance of the approximate linear-response coupled-cluster method of second order (CC2) and the algebraic-diagrammatic-construction scheme of the polarization propagator of second and third orders (ADC(2) and ADC(3)). For the ADC(2) method, we considered both the strict and extended variants (ADC(2)-s and ADC(2)-x). For both CC2 and ADC methods, we also tested the spin-component-scaled (SCS) and spin-opposite-scaled (SOS) variants. We have explored several ground- and excited-state reaction paths, a circular path centered around the S1/S0 surface crossing, and a 2D scan of the potential-energy surfaces along the branching space. We find that the CC2 and ADC methods yield a different dimensionality of the intersection space. While the ADC methods yield a linear intersection topology, we find a conical intersection topology for the CC2 method. We present computational evidence showing that the linear-response CC2 method yields a surface crossing between the reference state and the first response state featuring characteristics that are expected for a true conical intersection. Finally, we test the performance of these methods for the approximate geometry optimization of the S1/S0 minimum-energy conical intersection and compare the geometries with available data from multireference methods. The present study provides new insight into the performance of linear-response CC2 and polarization-propagator ADC methods for molecular electronic spectroscopy and applications in computational photochemistry.

  15. Fast simulations of gas sloshing and cold front formation

    NASA Astrophysics Data System (ADS)

    Roediger, E.; Zuhone, J. A.

    2012-01-01

    We present a simplified and fast method for simulating minor mergers between galaxy clusters. Instead of following the evolution of the dark matter haloes directly by the N-body method, we employ a rigid potential approximation for both clusters. The simulations are run in the rest frame of the more massive cluster and account for the resulting inertial accelerations in an optimized way. We test the reliability of this method for studies of minor merger induced gas sloshing by performing a one-to-one comparison between our simulations and hydro+N-body ones. We find that the rigid potential approximation reproduces the sloshing-related features well except for two artefacts: the temperature just outside the cold fronts is slightly overpredicted, and the outward motion of the cold fronts is delayed by typically 200 Myr. We discuss reasons for both artefacts.

  16. Fast Simulations of Gas Sloshing and Cold Front Formation

    NASA Technical Reports Server (NTRS)

    Roediger, E.; ZuHone, J. A.

    2012-01-01

    We present a simplified and fast method for simulating minor mergers between galaxy clusters. Instead of following the evolution of the dark matter halos directly by the N-body method, we employ a rigid potential approximation for both clusters. The simulations are run in the rest frame of the more massive cluster and account for the resulting inertial accelerations in an optimised way. We test the reliability of this method for studies of minor merger induced gas sloshing by performing a one-to-one comparison between our simulations and hydro+N-body ones. We find that the rigid potential approximation reproduces the sloshing-related features well except for two artifacts: the temperature just outside the cold fronts is slightly over-predicted, and the outward motion of the cold fronts is delayed by typically 200 Myr. We discuss reasons for both artifacts.

  17. Fast Simulations of Gas Sloshing and Cold Front Formation

    NASA Technical Reports Server (NTRS)

    Roediger, E.; ZuHone, J. A.

    2011-01-01

    We present a simplified and fast method for simulating minor mergers between galaxy clusters. Instead of following the evolution of the dark matter halos directly by the N-body method, we employ a rigid potential approximation for both clusters. The simulations are run in the rest frame of the more massive cluster and account for the resulting inertial accelerations in an optimised way. We test the reliability of this method for studies of minor merger induced gas sloshing by performing a one-to-one comparison between our simulations and hydro+N-body ones. We find that the rigid potential approximation reproduces the sloshing-related features well except for two artefacts: the temperature just outside the cold fronts is slightly over-predicted, and the outward motion of the cold fronts is delayed by typically 200 Myr. We discuss reasons for both artefacts.

  18. Expert Cold Structure Development

    NASA Astrophysics Data System (ADS)

    Atkins, T.; Demuysere, P.

    2011-05-01

    The EXPERT Program is funded by ESA. The objective of the EXPERT mission is to perform a sub-orbital flight during which measurements of critical aero- thermodynamic phenomena will be obtained by using state-of-the-art instrumentation. As part of the EXPERT Flight Segment, the responsibility of the Cold Structure Development Design, Manufacturing and Validation was committed to the Belgian industrial team SONACA/SABCA. The EXPERT Cold Structure includes the Launcher Adapter, the Bottom Panel, the Upper Panel, two Cross Panels and the Parachute Bay. An additional Launcher Adapter was manufactured for the separation tests. The selected assembly definition and manufacturing technologies ( machined parts and sandwich panels) were dictated classically by the mass and stiffness, but also by the CoG location and the sensitive separation interface. Used as support for the various on-board equipment, the Cold Structure is fixed to but thermally uncoupled from the PM 1000 thermal shield. It is protect on its bottom panel by a thermal blanket. As it is a protoflight, analysis was the main tool for the verification. Low level stiffness and modal analysis tests have also been performed on the Cold Structure equipped with its ballast. It allowed to complete its qualification and to prepare SONACA/SABCA support for the system dynamic tests foreseen in 2011. The structure was finally coated with a thermal control black painting and delivered on time to Thales Alenia Space-Italy end of March 201.

  19. Teaching "In Cold Blood."

    ERIC Educational Resources Information Center

    Berbrich, Joan D.

    1967-01-01

    The Truman Capote nonfiction novel, "In Cold Blood," which reflects for adolescents the immediacy of the real world, illuminates (1) social issues--capital punishment, environmental influence, and the gap between the "haves" and "have-nots," (2) moral issues--the complexity of man's nature, the responsibility of one man for another, and the place…

  20. Recent Cold War Studies

    ERIC Educational Resources Information Center

    Pineo, Ronn

    2003-01-01

    Cold War historiography has undergone major changes since the 1991 collapse of the Soviet Union. For two years (1992-1993) the principal Soviet archives fell open to scholars, and although some of the richest holdings are now once again closed, new information continues to find its way out. Moreover, critical documentary information has become…

  1. Cold War Propaganda.

    ERIC Educational Resources Information Center

    Bennett, Paul W.

    1988-01-01

    Briefly discusses the development of Cold War propaganda in the United States, Canada, and the USSR after 1947. Presents two movie reviews and a Canadian magazine advertisement of the period which illustrate the harshness of propaganda used by both sides in the immediate postwar years. (GEA)

  2. Cold Facts about Viruses.

    ERIC Educational Resources Information Center

    Pea, Celeste; Sterling, Donna R.

    2002-01-01

    Provides ways for students to demonstrate their understanding of scientific concepts and skills. Describes a mini-unit around the cold in which students can relate humans to viruses. Includes activities and a modified simulation that provides questions to guide students. Discusses ways that allows students to apply prior knowledge, take ownership…

  3. Cold spray nozzle design

    DOEpatents

    Haynes, Jeffrey D.; Sanders, Stuart A.

    2009-06-09

    A nozzle for use in a cold spray technique is described. The nozzle has a passageway for spraying a powder material, the passageway having a converging section and a diverging section, and at least the diverging section being formed from polybenzimidazole. In one embodiment of the nozzle, the converging section is also formed from polybenzimidazole.

  4. Dynamic adaptation of the peripheral circulation to cold exposure.

    PubMed

    Cheung, Stephen S; Daanen, Hein A M

    2012-01-01

    Humans residing or working in cold environments exhibit a stronger cold-induced vasodilation (CIVD) reaction in the peripheral microvasculature than those living in warm regions of the world, leading to a general assumption that thermal responses to local cold exposure can be systematically improved by natural acclimatization or specific acclimation. However, it remains unclear whether this improved tolerance is actually due to systematic acclimatization, or alternately due to the genetic pre-disposition or self-selection for such occupations. Longitudinal studies of repeated extremity exposure to cold demonstrate only ambiguous adaptive responses. In field studies, general cold acclimation may lead to increased sympathetic activity that results in reduced finger blood flow. Laboratory studies offer more control over confounding parameters, but in most studies, no consistent changes in peripheral blood flow occur even after repeated exposure for several weeks. Most studies are performed on a limited amount of subjects only, and the variability of the CIVD response demands more subjects to obtain significant results. This review systematically surveys the trainability of CIVD, concluding that repeated local cold exposure does not alter circulatory dynamics in the peripheries, and that humans remain at risk of cold injuries even after extended stays in cold environments.

  5. A theoretical study for the reaction of vinyl cyanide C2H3CN(X1A') with the ground state carbon atom C(3P) in cold molecular clouds.

    PubMed

    Su, Hsiu-Fen; Kaiser, R I; Chang, A H H

    2005-02-15

    The reaction of the ground state atomic carbon, C(3P), with simple unsaturated nitrile, C2H3CN(X1A' (vinyl cyanide), is investigated theoretically to explore the probable routes for the formation of carbon-nitrogen-bearing species in extraterrestrial environments particularly of ultralow temperature. Five collision complexes without entrance barrier as a result of the carbon atom addition to the pi systems of C2H3CN are characterized. The B3YLP/6-311G(d,p) level of theory is utilized in obtaining the optimized geometries, harmonic frequencies, and energies of the intermediates, transition states, and products along the isomerization and dissociation pathways of each collision complex. Subsequently, with the facilitation of computed RRKM rate constants at collision energy of 0-10 kcal/mol, the most probable paths for each collision complexes are determined, of which the CCSD(T)/6-311G(d,p) energies are calculated. The major products predicted are exclusively due to the hydrogen atom dissociations, while the products of H2, CN, and CH2 decompositions are found negligible. Among many possible H-elimination products, cyano propargyl (p4) and 3-cyano propargyl (p5) are the most probable, in which p5 can be formed via two intermediates, cyano allene (i8) and cyano vinylmethylene (i6), while p4 is yielded from i8. The study suggests this class of reaction is an important route to the synthesis of unsaturated nitriles at the temperature as low as 10 K, and the results are valuable for future chemical models of interstellar clouds.

  6. Cold and ultracold dynamics of the barrierless D{sup +} + H{sub 2} reaction: Quantum reactive calculations for ∼R{sup −4} long range interaction potentials

    SciTech Connect

    Lara, Manuel; Jambrina, P. G.; Aoiz, F. J.; Launay, J.-M.

    2015-11-28

    Quantum reactive and elastic cross sections and rate coefficients have been calculated for D{sup +} + H{sub 2} (v = 0, j = 0) collisions in the energy range from 10{sup −8} K (deep ultracold regime), where only one partial wave is open, to 150 K (Langevin regime) where many of them contribute. In systems involving ions, the ∼R{sup −4} behavior extends the interaction up to extremely long distances, requiring a special treatment. To this purpose, we have used a modified version of the hyperspherical quantum reactive scattering method, which allows the propagations up to distances of 10{sup 5} a{sub 0} needed to converge the elastic cross sections. Interpolation procedures are also proposed which may reduce the cost of exact dynamical calculations at such low energies. Calculations have been carried out on the PES by Velilla et al. [J. Chem. Phys. 129, 084307 (2008)] which accurately reproduces the long range interactions. Results on its prequel, the PES by Aguado et al. [J. Chem. Phys. 112, 1240 (2000)], are also shown in order to emphasize the significance of the inclusion of the long range interactions. The calculated reaction rate coefficient changes less than one order of magnitude in a collision energy range of ten orders of magnitude, and it is found in very good agreement with the available experimental data in the region where they exist (10-100 K). State-to-state reaction probabilities are also provided which show that for each partial wave, the distribution of HD final states remains essentially constant below 1 K.

  7. Globular Cluster Streams as Galactic High-Precision Scales

    NASA Astrophysics Data System (ADS)

    Küpper, Andreas H. W.; Balbinot, Eduardo; Bonaca, Ana; Johnston, Kathryn V.; Hogg, David W.; Kroupa, Pavel; Santiago, Basilio X.

    2016-08-01

    Tidal streams of globular clusters are ideal tracers of the Galactic gravitational potential. Compared to the few known, complex and diffuse dwarf-galaxy streams, they are kinematically cold, have thin morphologies and are abundant in the halo of the Milky Way. Their coldness and thinness in combination with potential epicyclic substructure in the vicinity of the stream progenitor turns them into high-precision scales. With the example of Palomar 5, we demonstrate how modeling of a globular cluster stream allows us to simultaneously measure the properties of the disrupting globular cluster, its orbital motion, and the gravitational potential of the Milky Way.

  8. Prescription Drugs and Cold Medicines

    MedlinePlus

    ... Abuse » Prescription Drugs & Cold Medicines Prescription Drugs & Cold Medicines Email Facebook Twitter What is Prescription Drug Abuse: ... treatment of addiction. Read more Safe Disposal of Medicines Disposal of Unused Medicines: What You Should Know ( ...

  9. Thermoregulatory modeling for cold stress.

    PubMed

    Xu, Xiaojiang; Tikuisis, Peter

    2014-07-01

    Modeling for cold stress has generated a rich history of innovation, has exerted a catalytic influence on cold physiology research, and continues to impact human activity in cold environments. This overview begins with a brief summation of cold thermoregulatory model development followed by key principles that will continue to guide current and future model development. Different representations of the human body are discussed relative to the level of detail and prediction accuracy required. In addition to predictions of shivering and vasomotor responses to cold exposure, algorithms are presented for thermoregulatory mechanisms. Various avenues of heat exchange between the human body and a cold environment are reviewed. Applications of cold thermoregulatory modeling range from investigative interpretation of physiological observations to forecasting skin freezing times and hypothermia survival times. While these advances have been remarkable, the future of cold stress modeling is still faced with significant challenges that are summarized at the end of this overview. PMID:24944030

  10. Thermoregulatory modeling for cold stress.

    PubMed

    Xu, Xiaojiang; Tikuisis, Peter

    2014-07-01

    Modeling for cold stress has generated a rich history of innovation, has exerted a catalytic influence on cold physiology research, and continues to impact human activity in cold environments. This overview begins with a brief summation of cold thermoregulatory model development followed by key principles that will continue to guide current and future model development. Different representations of the human body are discussed relative to the level of detail and prediction accuracy required. In addition to predictions of shivering and vasomotor responses to cold exposure, algorithms are presented for thermoregulatory mechanisms. Various avenues of heat exchange between the human body and a cold environment are reviewed. Applications of cold thermoregulatory modeling range from investigative interpretation of physiological observations to forecasting skin freezing times and hypothermia survival times. While these advances have been remarkable, the future of cold stress modeling is still faced with significant challenges that are summarized at the end of this overview.

  11. Chandra, Cold Fronts, and ICM Physics: The Importance of Magnetic Fields

    NASA Astrophysics Data System (ADS)

    ZuHone, John

    2014-11-01

    One of the most prominent features that the superb spatial resolution of Chandra has revealed in the galaxy cluster plasma is cold fronts: sharp surface brightness and temperature discontinuities formed by the motion of cold, dense gas. Cold fronts should be susceptible to disruption by fluid instabilites and smoothing out by thermal conduction, but many appear to be resilient to these effects, indicating suppression by microphysical processes. I will summarize a series of MHD simulations of sloshing cold fronts in galaxy clusters with anisotropic viscosity and thermal conduction. I will show that the power of cold front studies to provide constraints on the plasma conductivity is potentially strong, whereas the outlook for constraining the plasma viscosity is more uncertain.

  12. Spectroscopic Factors and Barrier Penetrabilities in Cluster Radioactivity

    SciTech Connect

    Kuklin, S.N.; Adamian, G.G.; Antonenko, N.V.

    2005-09-01

    The cold cluster decay model is presented in the framework of a dinuclear system concept. Spectroscopic factors are extracted from barrier penetrabilities and measured half-lives. The deformation of the light cluster and residual nucleus is shown to affect the nucleus-nucleus potential and decay characteristics. Half-lives are predicted for neutron-deficient actinides and intermediate-mass nuclei. The connection between spontaneous fission and cluster radioactivity is discussed.

  13. Cold-start characteristics of polymer electrolyte fuel cells

    SciTech Connect

    Mishler, Jeff; Mukundan, Rangachary; Wang, Yun; Mishler, Jeff; Mukherjee, Partha P

    2010-01-01

    In this paper, we investigate the electrochemical reaction kinetics, species transport, and solid water dynamics in a polymer electrolyte fuel cell (PEFC) during cold start. A simplitied analysis is developed to enable the evaluation of the impact of ice volume fraction on cell performance during coldstart. Supporting neutron imaging data are also provided to reveal the real-time water evolution. Temperature-dependent voltage changes due to the reaction kinetics and ohmic loss are also analyzed based on the ionic conductivity of the membrane at subfreezing temperature. The analysis is valuable for the fundamental study of PEFC cold-start.

  14. Human whole body cold adaptation

    PubMed Central

    Daanen, Hein A.M.; Van Marken Lichtenbelt, Wouter D.

    2016-01-01

    ABSTRACT Reviews on whole body human cold adaptation generally do not distinguish between population studies and dedicated acclimation studies, leading to confusing results. Population studies show that indigenous black Africans have reduced shivering thermogenesis in the cold and poor cold induced vasodilation in fingers and toes compared to Caucasians and Inuit. About 40,000 y after humans left Africa, natives in cold terrestrial areas seems to have developed not only behavioral adaptations, but also physiological adaptations to cold. Dedicated studies show that repeated whole body exposure of individual volunteers, mainly Caucasians, to severe cold results in reduced cold sensation but no major physiological changes. Repeated cold water immersion seems to slightly reduce metabolic heat production, while repeated exposure to milder cold conditions shows some increase in metabolic heat production, in particular non-shivering thermogenesis. In conclusion, human cold adaptation in the form of increased metabolism and insulation seems to have occurred during recent evolution in populations, but cannot be developed during a lifetime in cold conditions as encountered in temperate and arctic regions. Therefore, we mainly depend on our behavioral skills to live in and survive the cold. PMID:27227100

  15. Human whole body cold adaptation.

    PubMed

    Daanen, Hein A M; Van Marken Lichtenbelt, Wouter D

    2016-01-01

    Reviews on whole body human cold adaptation generally do not distinguish between population studies and dedicated acclimation studies, leading to confusing results. Population studies show that indigenous black Africans have reduced shivering thermogenesis in the cold and poor cold induced vasodilation in fingers and toes compared to Caucasians and Inuit. About 40,000 y after humans left Africa, natives in cold terrestrial areas seems to have developed not only behavioral adaptations, but also physiological adaptations to cold. Dedicated studies show that repeated whole body exposure of individual volunteers, mainly Caucasians, to severe cold results in reduced cold sensation but no major physiological changes. Repeated cold water immersion seems to slightly reduce metabolic heat production, while repeated exposure to milder cold conditions shows some increase in metabolic heat production, in particular non-shivering thermogenesis. In conclusion, human cold adaptation in the form of increased metabolism and insulation seems to have occurred during recent evolution in populations, but cannot be developed during a lifetime in cold conditions as encountered in temperate and arctic regions. Therefore, we mainly depend on our behavioral skills to live in and survive the cold.

  16. Human whole body cold adaptation.

    PubMed

    Daanen, Hein A M; Van Marken Lichtenbelt, Wouter D

    2016-01-01

    Reviews on whole body human cold adaptation generally do not distinguish between population studies and dedicated acclimation studies, leading to confusing results. Population studies show that indigenous black Africans have reduced shivering thermogenesis in the cold and poor cold induced vasodilation in fingers and toes compared to Caucasians and Inuit. About 40,000 y after humans left Africa, natives in cold terrestrial areas seems to have developed not only behavioral adaptations, but also physiological adaptations to cold. Dedicated studies show that repeated whole body exposure of individual volunteers, mainly Caucasians, to severe cold results in reduced cold sensation but no major physiological changes. Repeated cold water immersion seems to slightly reduce metabolic heat production, while repeated exposure to milder cold conditions shows some increase in metabolic heat production, in particular non-shivering thermogenesis. In conclusion, human cold adaptation in the form of increased metabolism and insulation seems to have occurred during recent evolution in populations, but cannot be developed during a lifetime in cold conditions as encountered in temperate and arctic regions. Therefore, we mainly depend on our behavioral skills to live in and survive the cold. PMID:27227100

  17. Remedies for Common Cold Symptoms

    PubMed Central

    Miller, Penny F.

    1991-01-01

    Individuals suffering from intolerable symptoms of the common cold can now be advised of safe and effective products for symptomatic relief. This article describes and discusses four categories of drugs used to treat the common cold. To simplify the product selection process for family physicians, suggestions are included for possible ingredients for treatments of specific cold symptoms. PMID:21234087

  18. Clusters in neutron-rich light nuclei

    NASA Astrophysics Data System (ADS)

    Jelavić Malenica, D.; Milin, M.; Di Pietro, A.; Figuera, P.; Lattuada, M.; Miljanić, D.; Musumarra, A.; Pellegriti, M. G.; Prepolec, L.; Scuderi, V.; Skukan, N.; Soić, N.; Torresi, D.; Uroić, M.

    2016-05-01

    Due to their high selectivity, transfer and sequential decay reactions are powerful tools for studies of both single particle (nucleon) and cluster states in light nuclei. Their use is particularly simple for investigations of α-particle clustering (because α-particle has Jπ=0+, which simplifies spin and parity assignments to observed cluster states), but they are also easily applicable to other types of clustering. Recent results on clustering in neutron-rich isotopes of beryllium, boron and carbon obtained measuring the 10B+10B reactions (at 50 and 72 MeV) are presented. The highly efficient and segmented detector systems used, built from 4 Double Sided Silicon Strip Detectors (DSSSD) allowed detection of double and multiple coincidences and, in that way, studies of states populated in transfer reactions, as well as their sequential decay.

  19. When blood runs cold: cold agglutinins and cardiac surgery.

    PubMed

    Findlater, Rhonda R; Schnell-Hoehn, Karen N

    2011-01-01

    Cold agglutinins are particular cold-reactive antibodies that react with red blood cells when the blood temperature drops below normal body temperature causing increased blood viscosity and red blood cell clumping. Most individuals with cold agglutinins are not aware of their presence, as these antibodies have little effect on daily living, often necessitating no treatment. However, when those with cold agglutinins are exposed to hypothermic situations or undergo procedures such as cardiopulmonary bypass with hypothermia during cardiac surgery, lethal complications of hemolysis, microvascular occlusion and organ failure can occur. By identifying those suspected of possessing cold agglutinins through a comprehensive nursing assessment and patient history, cold agglutinin screening can be performed prior to surgery to determine a diagnosis of cold agglutinin disease. With a confirmed diagnosis of cold agglutinin disease, the plan of care can be focused on measures to maintain the patient's blood temperature above the thermal amplitude throughout their hospitalization including the use of normothermic cardiopulmonary bypass with warm myocardial preservation techniques to prevent these fatal complications. Using a case report approach, the authors review the mechanism, clinical manifestations, detection and nursing management of a patient with cold agglutinins undergoing scheduled cardiac surgery. Cold agglutinin disease is rare. However, the risk to patients warrants an increased awareness of cold agglutinins and screening for those who are suspected of carrying these antibodies. PMID:21630629

  20. WISPy cold dark matter

    NASA Astrophysics Data System (ADS)

    Arias, Paola; Cadamuro, Davide; Goodsell, Mark; Jaeckel, Joerg; Redondo, Javier; Ringwald, Andreas

    2012-06-01

    Very weakly interacting slim particles (WISPs), such as axion-like particles (ALPs) or hidden photons (HPs), may be non-thermally produced via the misalignment mechanism in the early universe and survive as a cold dark matter population until today. We find that, both for ALPs and HPs whose dominant interactions with the standard model arise from couplings to photons, a huge region in the parameter spaces spanned by photon coupling and ALP or HP mass can give rise to the observed cold dark matter. Remarkably, a large region of this parameter space coincides with that predicted in well motivated models of fundamental physics. A wide range of experimental searches — exploiting haloscopes (direct dark matter searches exploiting microwave cavities), helioscopes (searches for solar ALPs or HPs), or light-shining-through-a-wall techniques — can probe large parts of this parameter space in the foreseeable future.

  1. Radial cold trap

    DOEpatents

    Grundy, B.R.

    1981-09-29

    The radial cold trap comprises a housing having a plurality of mesh bands disposed therein. The mesh bands comprise concentrically arranged bands of mesh with the mesh specific surface area of each band increasing from the outermost mesh band to the innermost mesh band. An inlet nozzle is attached to the outside section of the housing while an outlet nozzle is attached to the inner portion of the housing so as to be concentrically connected to the innermost mesh band. An inlet baffle having orifices therein may be disposed around the outermost mesh band and within the housing for directing the flow of the fluid from the inlet nozzle to the outermost mesh band in a uniform manner. The flow of fluid passes through each consecutive mesh band and into the outlet nozzle. The circular pattern of the symmetrically arranged mesh packing allows for better utilization of the entire cold trap volume. 2 figs.

  2. Radial cold trap

    DOEpatents

    Grundy, Brian R.

    1981-01-01

    The radial cold trap comprises a housing having a plurality of mesh bands disposed therein. The mesh bands comprise concentrically arranged bands of mesh with the mesh specific surface area of each band increasing from the outermost mesh band to the innermost mesh band. An inlet nozzle is attached to the outside section of the housing while an outlet nozzle is attached to the inner portion of the housing so as to be concentrically connected to the innermost mesh band. An inlet baffle having orifices therein may be disposed around the outermost mesh band and within the housing for directing the flow of the fluid from the inlet nozzle to the outermost mesh band in a uniform manner. The flow of fluid passes through each consecutive mesh band and into the outlet nozzle. The circular pattern of the symmetrically arranged mesh packing allows for better utilization of the entire cold trap volume.

  3. Adiabatic theory for anisotropic cold molecule collisions

    SciTech Connect

    Pawlak, Mariusz; Shagam, Yuval; Narevicius, Edvardas; Moiseyev, Nimrod

    2015-08-21

    We developed an adiabatic theory for cold anisotropic collisions between slow atoms and cold molecules. It enables us to investigate the importance of the couplings between the projection states of the rotational motion of the atom about the molecular axis of the diatom. We tested our theory using the recent results from the Penning ionization reaction experiment {sup 4}He(1s2s {sup 3}S) + HD(1s{sup 2}) → {sup 4}He(1s{sup 2}) + HD{sup +}(1s) + e{sup −} [Lavert-Ofir et al., Nat. Chem. 6, 332 (2014)] and demonstrated that the couplings have strong effect on positions of shape resonances. The theory we derived provides cross sections which are in a very good agreement with the experimental findings.

  4. Staying cold through dinner: cold-climate bats rewarm with conspecifics but not sunset during hibernation.

    PubMed

    Czenze, Zenon J; Park, Andrew D; Willis, Craig K R

    2013-08-01

    For temperate endotherms (i.e., mammals and birds) energy costs are highest during winter but food availability is lowest and many mammals depend on hibernation as a result. Hibernation is made up of energy-saving torpor bouts [periods of controlled reduction in body temperature (T b)], which are interrupted by brief periodic arousals to normothermic T b. What triggers these arousals in free-ranging hibernators is not well understood. Some temperate bats with intermittent access to flying insects during winter synchronize arousals with sunset, which suggests that, in some species, feeding opportunities influence arousal timing. We tested whether hibernating bats from a cold climate without access to food during winter also maintain a circadian rhythm for arousals or whether cues from conspecifics in the same cluster are more important. We used temperature telemetry to monitor skin temperature (T sk) of free-ranging little brown bats (Myotis lucifugus) hibernating in central Manitoba, Canada, where temperatures from 22 October to 22 March were too cold for flying insects. We found no evidence bats synchronized arousals with photoperiod but they did arouse synchronously with other bats in the same cluster. Thus, in the northern part of their range where flying insects are almost never available during winter, little brown bats exhibit no circadian pattern to arousals. Warming synchronously with others could reduce the energetic costs of arousal for individuals or could reflect disturbance of torpid bats by cluster-mates. PMID:23539327

  5. Staying cold through dinner: cold-climate bats rewarm with conspecifics but not sunset during hibernation.

    PubMed

    Czenze, Zenon J; Park, Andrew D; Willis, Craig K R

    2013-08-01

    For temperate endotherms (i.e., mammals and birds) energy costs are highest during winter but food availability is lowest and many mammals depend on hibernation as a result. Hibernation is made up of energy-saving torpor bouts [periods of controlled reduction in body temperature (T b)], which are interrupted by brief periodic arousals to normothermic T b. What triggers these arousals in free-ranging hibernators is not well understood. Some temperate bats with intermittent access to flying insects during winter synchronize arousals with sunset, which suggests that, in some species, feeding opportunities influence arousal timing. We tested whether hibernating bats from a cold climate without access to food during winter also maintain a circadian rhythm for arousals or whether cues from conspecifics in the same cluster are more important. We used temperature telemetry to monitor skin temperature (T sk) of free-ranging little brown bats (Myotis lucifugus) hibernating in central Manitoba, Canada, where temperatures from 22 October to 22 March were too cold for flying insects. We found no evidence bats synchronized arousals with photoperiod but they did arouse synchronously with other bats in the same cluster. Thus, in the northern part of their range where flying insects are almost never available during winter, little brown bats exhibit no circadian pattern to arousals. Warming synchronously with others could reduce the energetic costs of arousal for individuals or could reflect disturbance of torpid bats by cluster-mates.

  6. Cold denaturation of encapsulated ubiquitin.

    PubMed

    Pometun, Maxim S; Peterson, Ronald W; Babu, Charles R; Wand, A Joshua

    2006-08-23

    Theoretical considerations suggest that protein cold denaturation can potentially provide a means to explore the cooperative substructure of proteins. Protein cold denaturation is generally predicted to occur well below the freezing point of water. Here NMR spectroscopy of ubiquitin encapsulated in reverse micelles dissolved in low viscosity alkanes is used to follow cold-induced unfolding to temperatures below -25 degrees C. Comparison of cold-induced structural transitions in a variety of reverse micelle-buffer systems indicate that protein-surfactant interactions are negligible and allow the direct observation of the multistate cold-induced unfolding of the protein.

  7. Cold Stowage Flight Systems

    NASA Technical Reports Server (NTRS)

    Campana, Sharon

    2010-01-01

    The International Space Station (ISS) provides a test bed for researchers to perform science experiments in a variety of fields, including human research, life sciences, and space medicine. Many of the experiments being conducted today require science samples to be stored and transported in a temperature controlled environment. NASA provides several systems which aide researchers in preserving their science. On orbit systems provided by NASA include the Minus Eighty Laboratory freezer for ISS (MELFI), Microgravity Experiment Research Locker Incubator (MERLIN), and Glacier. These freezers use different technologies to provide rapid cooling and cold stowage at different temperature levels on board ISS. Systems available to researchers during transportation to and from ISS are MERLIN, Glacier, and Coldbag. Coldbag is a passive cold stowage system that uses phase change materials. Details of these current technologies will be provided along with operational experience gained to date. With shuttle retirement looming, NASA has protected the capability to provide a temperature controlled environment during transportation to and from the ISS with the use of Glacier and Coldbags, which are compatible with future commercial vehicles including SpaceX's Dragon Capsule, and Orbital s Cygnus vehicle. This paper will discuss the capability of the current cold stowage hardware and how it may continue to support NASA s mission on ISS and in future exploration missions.

  8. Cold Stowage Flight Systems

    NASA Technical Reports Server (NTRS)

    Campana, Sharon E.; Melendez, David T.

    2011-01-01

    The International Space Station (ISS) provides a test bed for researchers to perform science experiments in a variety of fields, including human research, life sciences, and space medicine. Many of the experiments being conducted today require science samples to be stored and transported in a temperature controlled environment. NASA provides several systems which aid researchers in preserving their science. On orbit systems provided by NASA include the Minus Eighty Laboratory freezer for ISS (MELFI), Microgravity Experiment Research Locker Incubator (MERLIN), and Glacier. These freezers use different technologies to provide rapid cooling and cold stowage at different temperature levels on board ISS. Systems available to researchers during transportation to and from ISS are MERLIN, Glacier, and Coldbag. Coldbag is a passive cold stowage system that uses phase change materials to maintain temperature. Details of these current technologies are provided along with operational experience gained to date. This paper discusses the capability of the current cold stowage hardware and how it may continue to support NASA s mission on ISS and in future exploration missions.

  9. Differential Metabolic Rearrangements after Cold Storage Are Correlated with Chilling Injury Resistance of Peach Fruits

    PubMed Central

    Bustamante, Claudia A.; Monti, Laura L.; Gabilondo, Julieta; Scossa, Federico; Valentini, Gabriel; Budde, Claudio O.; Lara, María V.; Fernie, Alisdair R.; Drincovich, María F.

    2016-01-01

    Reconfiguration of the metabolome is a key component involved in the acclimation to cold in plants; however, few studies have been devoted to the analysis of the overall metabolite changes after cold storage of fruits prior to consumption. Here, metabolite profiling of six peach varieties with differential susceptibility to develop mealiness, a chilling-injury (CI) symptom, was performed. According to metabolic content at harvest; after cold treatment; and after ripening, either following cold treatment or not; peach fruits clustered in distinct groups, depending on harvest-time, cold treatment, and ripening state. Both common and distinct metabolic responses among the six varieties were found; common changes including dramatic galactinol and raffinose rise; GABA, Asp, and Phe increase; and 2-oxo-glutarate and succinate decrease. Raffinose content after long cold treatment quantitatively correlated to the degree of mealiness resistance of the different peach varieties; and thus, raffinose emerges as a candidate biomarker of this CI disorder. Xylose increase after cold treatment was found only in the susceptible genotypes, indicating a particular cell wall reconfiguration of these varieties while being cold-stored. Overall, results indicate that peach fruit differential metabolic rearrangements due to cold treatment, rather than differential metabolic priming before cold, are better related with CI resistance. The plasticity of peach fruit metabolism renders it possible to induce a diverse metabolite array after cold, which is successful, in some genotypes, to avoid CI. PMID:27746802

  10. Exotic shapes and exotic clusterization

    SciTech Connect

    Cseh, J.; Darai, J.; Algora, A.

    2011-10-28

    The interrelation of the largely elongated nuclear shapes and clusterization is discussed by applying semimicroscopic methods. {sup 36}Ar is considered as a specific example, where recent experimental heavy-ion scattering data seem to justify the theoretical predictions on the hyperdeformed states. Alpha-emitting reactions are also suggested for its population.

  11. Thermochemistry and Reactivity of Transition Metal Cluster Ions

    NASA Astrophysics Data System (ADS)

    Armentrout, P. B.; Griffin, J. B.; Conceićão, J.

    Reactions of transition metal cluster cations with several small molecules have been examined using guided ion beam mass spectrometry. This technique allows the kinetic energy dependence of the reactions to be measured, thereby allowing thermodynamic information to be extracted. Reactions of iron, chromium, and vanadium clusters with D2, O2, and CO2 are described. Reactions with D2 are endothermic and yield only two types of products. Oxidation of metal clusters by O2 proceeds is very efficient, proceeding at the collision limit, and forms many different products. The CO2 systems exhibit interesting dynamics that appears to be related to interactions of two surfaces of different spin. Bond energies for cluster monodeuterides, monoxides, and dioxides are derived from these studies. The deuteride bond energies appear to be sensitive to the cluster geometry while little variation in oxide bond energies is observed as a function of cluster size. Comparison of these cluster bond energies to bulk phase values finds similar thermochemistry.

  12. [Reactions to insect stings and bites].

    PubMed

    Ljubojević, Suzana; Lipozencić, Jasna

    2011-01-01

    Reaction to insect sting and bite may be local, such as erythema, edema and pruritus, or systemic, such as anaphylactic reaction. Diagnosis can be made by patient history, clinical picture, skin testing, total and specific IgE level, and provocation test. Local reactions are treated with cold compresses, topical corticosteroids and oral antihistamines. Oral and intramuscular antihistamines and corticosteroids are used for the treatment of mild systemic reactions, and in severe reaction epinephrine injections are added. Hyposensitization is indicated in patients with severe systemic reaction, positive skin tests and high level of specific IgE antibodies.

  13. The genome of the polar eukaryotic microalga Coccomyxa subellipsoidea reveals traits of cold adaptation

    SciTech Connect

    Blanc, Guillaume; Agarkova, Irina; Grimwood, Jane; Kuo, Alan; Brueggeman, Andrew; Dunigan, David D.; Gurnon, James; Ladunga, Istvan; Lindquist, Erika; Lucas, Susan; Pangilinan, Jasmyn; Proschold, Thomas; Salamov, Asaf; Schmutz, Jeremy; Weeks, Donald; Tamada, Takashi; Lomsadze, Alexandre; Borodovsky, Mark; Claverie, Jean-Michel; Grigoriev, Igor V.; Van Etten, James L.

    2012-02-13

    Background Little is known about the mechanisms of adaptation of life to the extreme environmental conditions encountered in polar regions. Here we present the genome sequence of a unicellular green alga from the division chlorophyta, Coccomyxa subellipsoidea C-169, which we will hereafter refer to as C-169. This is the first eukaryotic microorganism from a polar environment to have its genome sequenced. Results The 48.8 Mb genome contained in 20 chromosomes exhibits significant synteny conservation with the chromosomes of its relatives Chlorella variabilis and Chlamydomonas reinhardtii. The order of the genes is highly reshuffled within synteny blocks, suggesting that intra-chromosomal rearrangements were more prevalent than inter-chromosomal rearrangements. Remarkably, Zepp retrotransposons occur in clusters of nested elements with strictly one cluster per chromosome probably residing at the centromere. Several protein families overrepresented in C. subellipsoidae include proteins involved in lipid metabolism, transporters, cellulose synthases and short alcohol dehydrogenases. Conversely, C-169 lacks proteins that exist in all other sequenced chlorophytes, including components of the glycosyl phosphatidyl inositol anchoring system, pyruvate phosphate dikinase and the photosystem 1 reaction center subunit N (PsaN). Conclusions We suggest that some of these gene losses and gains could have contributed to adaptation to low temperatures. Comparison of these genomic features with the adaptive strategies of psychrophilic microbes suggests that prokaryotes and eukaryotes followed comparable evolutionary routes to adapt to cold environments.

  14. Heat, cold, noise, and vibration

    SciTech Connect

    Horvath, S.M.; Bedi, J.F. )

    1990-03-01

    Exposure to a cold environment induces a number of physiological alterations, the most serious being hypothermia. This state can occur in all individuals, but the very young and the elderly are more susceptible. Environmental and industrially generated high ambient temperature can place further stress on aged individuals and workers, resulting in a complex symptom picture. Morbidity and death may result from such exposures. Causative factors have been identified. Noise exposure induces hearing losses above those secondary to the aging process. Psychophysiological effects during noise exposure are considered to result from the sympathetic activity secondary to a general stress reaction. Vibration from the use of power tools results in Raynaud's phenomenon. However, modification of power tools has reduced the symptoms associated with vibration exposure. Termination of exposure to vibration appears eventually to reduce symptoms related to white-finger spasms. Interaction between these stressors has not been clarified because of the complex effects of each. The need for additional information about the response to these stressors is evident. 38 references.

  15. Experimental hypothermia and cold perception.

    PubMed

    Hoffman, R G; Pozos, R S

    1989-10-01

    Twelve subjects clothed in flotation suits were immersed in 10 degrees C cold water and their surface temperatures at the back and groin, as well as core temperatures, were continuously monitored. Subjects were unable to reliably assess how cold they were, with the highest correlation observed between perceived temperature and actual temperature reaching only 0.51. This was felt to be partially due to the uneven distribution of surface temperatures seen in this experiment and in most cold water immersions. Rapid cooling in cold water also produced the perceptual phenomenon of "overshooting" previously observed in cold air studies, characterized by sudden temperature drops being perceived as cold sensations of greater magnitude. The results suggest that subjects who are rapidly cooled in water may have considerable difficulty separating feelings of cold from feelings of pain and discomfort, which can have serious implications in survival situations and highlights the subjective and highly variable nature of cold perception. Perceived cold sensation may be a very poor, and possibly dangerous, predictor in cold water immersion situations.

  16. Experimental Investigation and Mathematical Modeling of Cold Cap Behavior in High-Level-Waste Glass Melter

    SciTech Connect

    Hrma, Pavel R.

    2014-03-03

    The cold cap is a layer of reacting melter feed floating on the surface of molten glass in a glass-melting furnace. The cold cap consists of two distinct portions, of which the upper allows the reaction gases to escape through open pores, whereas the lower portion traps the gases within the continuous glass-forming melt, creating foam. The temperature span over the cold cap is ~1000 K. Data needed to simulate the cold cap mathematically include the kinetics of multiple reactions, reaction enthalpies, heat capacity, density, porosity, and heat conductivity as functions of both the temperature and the rate of heating. These data were produced via crucible experiments. The mathematical model has been completed. It relates the cold cap thickness, the rate of melting, the temperature field, and cold cap structure (foaming, dissolution of quartz particles, and formation and subsequent dissolution of crystalline phases, such as spinel) to the cold cap bottom temperature, the fraction of heat flow to the upper cold cap surface, the melt foaminess, and the chemical and physical nature of melter feed materials. To verify the model, cold caps were produced in a laboratory-scale melter and their structure is currently investigated.

  17. Complex regional pain syndrome: evidence for warm and cold subtypes in a large prospective clinical sample.

    PubMed

    Bruehl, Stephen; Maihöfner, Christian; Stanton-Hicks, Michael; Perez, Roberto S G M; Vatine, Jean-Jacques; Brunner, Florian; Birklein, Frank; Schlereth, Tanja; Mackey, Sean; Mailis-Gagnon, Angela; Livshitz, Anatoly; Harden, R Norman

    2016-08-01

    Limited research suggests that there may be Warm complex regional pain syndrome (CRPS) and Cold CRPS subtypes, with inflammatory mechanisms contributing most strongly to the former. This study for the first time used an unbiased statistical pattern recognition technique to evaluate whether distinct Warm vs Cold CRPS subtypes can be discerned in the clinical population. An international, multisite study was conducted using standardized procedures to evaluate signs and symptoms in 152 patients with clinical CRPS at baseline, with 3-month follow-up evaluations in 112 of these patients. Two-step cluster analysis using automated cluster selection identified a 2-cluster solution as optimal. Results revealed a Warm CRPS patient cluster characterized by a warm, red, edematous, and sweaty extremity and a Cold CRPS patient cluster characterized by a cold, blue, and less edematous extremity. Median pain duration was significantly (P < 0.001) shorter in the Warm CRPS (4.7 months) than in the Cold CRPS subtype (20 months), with pain intensity comparable. A derived total inflammatory score was significantly (P < 0.001) elevated in the Warm CRPS group (compared with Cold CRPS) at baseline but diminished significantly (P < 0.001) over the follow-up period, whereas this score did not diminish in the Cold CRPS group (time × subtype interaction: P < 0.001). Results support the existence of a Warm CRPS subtype common in patients with acute (<6 months) CRPS and a relatively distinct Cold CRPS subtype most common in chronic CRPS. The pattern of clinical features suggests that inflammatory mechanisms contribute most prominently to the Warm CRPS subtype but that these mechanisms diminish substantially during the first year postinjury. PMID:27023422

  18. The Isis cold moderators

    SciTech Connect

    Allen, G. M.; Broome, T. A.; Burridge, R. A.; Cragg, D.; Hall, R.; Haynes, D.; Hirst, J.; Hogston, J. R.; Jones, H. H.; Sexton, J.; Wright, P.

    1997-09-01

    ISIS is a pulsed spallation neutron source where neutrons are produced by the interaction of a 160 kW proton beam of energy 800 MeV in a water-cooled Tantalum Target. The fast neutrons produced are thermalized in four moderators: two ambient water, one liquid methane operating at 100K and a liquid hydrogen moderator at 20 K. This paper gives a description of the construction of both cold moderator systems, details of the operating experience and a description of the current development program.

  19. Cluster expression in fission and fusion in high-dimensional macroscopic-microscopic calculations

    SciTech Connect

    Iwamoto, A.; Ichikawa, T.; Moller, P.; Sierk, A. J.

    2004-01-01

    We discuss the relation between the fission-fusion potential-energy surfaces of very heavy nuclei and the formation process of these nuclei in cold-fusion reactions. In the potential-energy surfaces, we find a pronounced valley structure, with one valley corresponding to the cold-fusion reaction, the other to fission. As the touching point is approached in the cold-fusion entrance channel, an instability towards dynamical deformation of the projectile occurs, which enhances the fusion cross section. These two 'cluster effects' enhance the production of superheavy nuclei in cold-fusion reactions, in addition to the effect of the low compound-system excitation energy in these reactions. Heavy-ion fusion reactions have been used extensively to synthesize heavy elements beyond actinide nuclei. In order to proceed further in this direction, we need to understand the formation process more precisely, not just the decay process. The dynamics of the formation process are considerably more complex than the dynamics necessary to interpret the spontaneous-fission decay of heavy elements. However, before implementing a full dynamical description it is useful to understand the basic properties of the potential-energy landscape encountered in the initial stages of the collision. The collision process and entrance-channel landscape can conveniently be separated into two parts, namely the early-stage separated system before touching and the late-stage composite system after touching. The transition between these two stages is particularly important, but not very well understood until now. To understand better the transition between the two stages we analyze here in detail the potential energy landscape or 'collision surface' of the system both outside and inside the touching configuration of the target and projectile. In Sec. 2, we discuss calculated five-dimensional potential-energy landscapes inside touching and identify major features. In Sec. 3, we present calculated

  20. Spectroscopy of the Perseus Cluster

    NASA Technical Reports Server (NTRS)

    Jones, Christine; Mushotzky, Richard F. (Technical Monitor)

    2004-01-01

    We present preliminary results of a XMM-Newton 50 ks observation of the Perseus Cluster that provides an unprecedented view of the central 0.5 Mpc region. The projected gas temperature declines smoothly by a factor of 2 from a maximum value of approx. 7 keV in the outer regions to just above 3 keV at the cluster center. Over this same range, the heavy-element abundance rises slowly from 0.4 to 0.5 solar as the radius decreases from 14 ft. to 5 ft., and then it rises to a peak of almost 0.7 solar at 1&farcm;25 before declining to 0.4 at the center. Th global east-west asymmetry of the gas temperature and surface brightness distributions, approximately aligned with the chain of bright galaxies, suggests an ongoing merger, although the modest degree of the observed asymmetry certainly excludes a major merger interpretation. The chain of galaxies probably traces the filament along which accretion started some time ago and is continuing at the present time. A cold and dense (low-entropy) cluster core like Perseus is probably well "protected" against the penetration of the gas of infalling groups and poor clusters, whereas in non-cooling core clusters such as Coma and A1367, infalling subclusters can penetrate deeply into the core region. In Perseus, gas associated with infalling groups may be stripped completely at the outskirts of the main cluster and only compression waves (shocks) may reach the central regions. We argue, and show supporting simulations, that the passage of such a wave(s) can qualitatively explain the overall horseshoe shaped appearance of the gas temperature map (the hot horseshoe surrounds the colder, low-entropy core) as well as other features of the Perseus Cluster core. These simulations also show that as compression waves traverse the cluster core, they can induce oscillatory motion of the cluster gas that can generate multiple sharp "edges" on opposite sides of the central galaxy. Gas motions induced by mergers may be a natural way to explain

  1. Reaction models in nuclear astrophysics

    NASA Astrophysics Data System (ADS)

    Descouvemont, Pierre

    2016-05-01

    We present different reaction models commonly used in nuclear astrophysics, in particular for the nucleosynthesis of light elements. Pioneering works were performed within the potential model, where the internal structure of the colliding nuclei is completely ignored. Significant advances in microscopic cluster models provided the first microscopic description of the 3He(α,&gamma)7 Be reaction more than thirty years ago. In this approach, the calculations are based on an effective nucleon-nucleon interaction, but the cluster approximation should be made to simplify the calculations. Nowadays, modern microscopic calculations are able to go beyond the cluster approximation, and aim at finding exact solutions of the Schrödinger equation with realistic nucleon-nucleon interactions. We discuss recent examples on the d+d reactions at low energies.

  2. Cold fission description with constant and varying mass asymmetries

    NASA Astrophysics Data System (ADS)

    Duarte, S. B.; Rodríguez, O.; Tavares, O. A. P.; Gonçalves, M.; García, F.; Guzmán, F.

    1998-05-01

    Different descriptions for varying the mass asymmetry in the fragmentation process are used to calculate the cold fission barrier penetrability. The relevance of the appropriate choice for both the description of the prescission phase and inertia coefficient to unify alpha decay, cluster radioactivity, and spontaneous cold fission processes in the same theoretical framework is explicitly shown. We calculate the half-life of all possible partition modes of nuclei of A>200 following the most recent Mass Table by Audi and Wapstra. It is shown that if one uses the description in which the mass asymmetry is maintained constant during the fragmentation process, the experimental half-life values and mass yield of 234U cold fission are satisfactorily reproduced.

  3. Multivariate analysis of the risk in chronic obstructive lung disease (COLD)

    SciTech Connect

    Spinaci, S.; Bugiani, M.; Arossa, W.; Bucca, C.; Rolla, G.

    1985-01-01

    This study was undertaken to assess the validity of cluster analysis for stratifying patients with severe COLD into homogenous subgroups in view of further prospective studies. To this aim, physiological measurements and questionnaire data were obtained from 532 outpatients with severe COLD (e.g. a 1 sec forced expiratory volume (FEV1) below 1.5-1/sec). The model variables selected for the partition in cluster were FEV1, PaO/sub 2/, response to bronchodilators and heart rate. Two subgroups of patients were identified by the analysis: cluster I with significantly greater physiological impairment than cluster II. The comparison of the prevalences of the variables outside the model between the 2 clusters showed, in fact, that cluster I had a significantly higher prevalence of subjects with heavy smoking (p less than 0.01), prolonged occupational exposure (p less than 0.05), low body weight (p less than 0.05), recent hospitalizations for respiratory troubles (p less than 0.02) and emphysema (p less than 0.01). In conclusion, cluster analysis based on few physiological variables was able to identify, among patients with severe COLD, those with poorer general conditions and higher exposure to specific risk factors, for whom a worse prognosis of life can be expected. The advantages of cluster analysis in comparison to other techniques of classification in this kind of patient is discussed.

  4. Cold prebiotic evolution, tunneling, chirality and exobiology

    NASA Astrophysics Data System (ADS)

    Goldanskii, Vitalii I.

    1996-07-01

    The extra-terrestrial scenario of the origin of life suggested by Svante Arrhenius (1) as the `panspermia' hypothesis was revived by the discovery of a low-temperature quantum limit of a chemical reaction rate caused by the molecular tunneling (2). Entropy factors play no role near absolute zero, and slow molecular tunneling can lead to the exothermic formation of quite complex molecules. Interstellar grains or particles of cometary tails could serve as possible cold seeds of life, with acetic acid, urea and products of their polycondensation as quasi-equilibrium intermediates. Very cold solid environment hinders racemization and stabilizes optical activity under conditions typical for outer space. Neither `advantage' factors can secure the evolutionary formation of chiral purity of initial prebiotic monomeric medium-even being temporary achieved it cannot be maintained at subsequent stages of prebiotic evolution because of counteraction of `enantioselective pressure'. Only bifurcational mechanism of the formation of prebiotic homochiral-monomeric and afterwards polymeric-medium and its subsequent transformation in `homochiral chemical automata' (`biological big bang'-passage from `stochastic' to `algorithmic' chemistry) is possible and can be realized. Extra-terrestrial (cold, solid phase) scenarios of the origin of life seem to be more promising from that point of view than terrestrial (warm) scenarios. Within a scheme of five main stages of prebiological evolution some problems important for further investigation are briefly discussed.

  5. Cluster headache

    PubMed Central

    2010-01-01

    Introduction The revised International Headache Society (IHS) criteria for cluster headache are: attacks of severe or very severe, strictly unilateral pain, which is orbital, supraorbital, or temporal pain, lasting 15 to 180 minutes and occurring from once every other day to eight times daily. Methods and outcomes We conducted a systematic review and aimed to answer the following clinical questions: What are the effects of interventions to abort cluster headache? What are the effects of interventions to prevent cluster headache? We searched: Medline, Embase, The Cochrane Library, and other important databases up to June 2009 (Clinical Evidence reviews are updated periodically; please check our website for the most up-to-date version of this review). We included harms alerts from relevant organisations, such as the US Food and Drug Administration (FDA) and the UK Medicines and Healthcare products Regulatory Agency (MHRA). Results We found 23 systematic reviews, RCTs, or observational studies that met our inclusion criteria. We performed a GRADE evaluation of the quality of evidence for interventions. Conclusions In this systematic review, we present information relating to the effectiveness and safety of the following interventions: baclofen (oral); botulinum toxin (intramuscular); capsaicin (intranasal); chlorpromazine; civamide (intranasal); clonidine (transdermal); corticosteroids; ergotamine and dihydroergotamine (oral or intranasal); gabapentin (oral); greater occipital nerve injections (betamethasone plus xylocaine); high-dose and high-flow-rate oxygen; hyperbaric oxygen; leuprolide; lidocaine (intranasal); lithium (oral); melatonin; methysergide (oral); octreotide (subcutaneous); pizotifen (oral); sodium valproate (oral); sumatriptan (oral, subcutaneous, and intranasal); topiramate (oral); tricyclic antidepressants (TCAs); verapamil; and zolmitriptan (oral and intranasal). PMID:21718584

  6. Phase-space structure of cold dark matter halos

    SciTech Connect

    Sikivie, P.; Ipser, J.R.

    1991-12-31

    A galactic halo of cold dark matter particles has a sheet-like structure in phase-space. The energy and momentum spectra of such particles on earth has a set of peaks whose central values and intensities form a record of the formation of the Galaxy. Scattering of the dark matter particles by stars and globular clusters broadens the peaks but does not erase them entirely. The giant shells around some elliptical galaxies may be a manifestation of this structure.

  7. Giant Star Clusters Near Galactic Core

    NASA Technical Reports Server (NTRS)

    2001-01-01

    A video sequence of still images goes deep into the Milky Way galaxy to the Arches Cluster. Hubble, penetrating through dust and clouds, peers into the core where two giant clusters shine more brightly than any other clusters in the galaxy. Footage shows the following still images: (1) wide view of Sagittarius constellation; (2) the Palomar Observatory's 2 micron all-sky survey; and (3) an image of the Arches Cluster taken with the Hubble Space Telescope NICMOS instrument. Dr. Don Figer of the Space Telescope Science Institute discusses the significance of the observations and relates his first reaction to the images.

  8. Palladium clusters deposited on the heterogeneous substrates

    NASA Astrophysics Data System (ADS)

    Wang, Kun; Liu, Juanfang; Chen, Qinghua

    2016-07-01

    To improve the performance of the Pd composite membrane prepared by the cold spraying technology, it is extremely essential to give insights into the deposition process of the cluster and the heterogeneous deposition of the big Pd cluster at the different incident velocities on the atomic level. The deposition behavior, morphologies, energetic and interfacial configuration were examined by the molecular dynamic simulation and characterized by the cluster flattening ratio, the substrate maximum local temperature, the atom-embedded layer number and the surface-alloy formation. According to the morphology evolution, three deposition stages and the corresponding structural and energy evolution were clearly identified. The cluster deformation and penetrating depth increased with the enhancement of the incident velocity, but the increase degree also depended on the substrate hardness. The interfacial interaction between the cluster and the substrate can be improved by the higher substrate local temperature. Furthermore, it is found that the surface alloys were formed by exchanging sites between the cluster and substrate atoms, and the cluster atoms rearranged following as the substrate lattice arrangement from bottom to up in the deposition course. The ability and scope of the structural reconstruction are largely determined by both the size and incident energy of the impacted cluster.

  9. The Science of Low Energy Nuclear Reactions

    NASA Astrophysics Data System (ADS)

    Storms, Edmund

    2007-03-01

    The large literature describing the anomalous behavior attributed to cold fusion or low energy nuclear reactions has been critically described in a recently published book. Over 950 publications are evaluated allowing the phenomenon to be understood. A new class of nuclear reactions has been discovered that are able to generate practical energy without significant radiation or radioactivity. Edmund K Storms, The Science of Low Energy Nuclear Reactions, in press (2006). Also see: http://www.lenr-canr.org/StudentsGuide.htm .

  10. Cold growth behaviour and genetic comparison of Canadian and Swiss Listeria monocytogenes strains associated with the food supply chain and human listeriosis cases.

    PubMed

    Arguedas-Villa, Carolina; Kovacevic, Jovana; Allen, Kevin J; Stephan, Roger; Tasara, Taurai

    2014-06-01

    Sixty-two strains of Listeria monocytogenes isolated in Canada and Switzerland were investigated. Comparison based on molecular genotypes confirmed that strains in these two countries are genetically diverse. Interestingly strains from both countries displayed similar range of cold growth phenotypic profiles. Based on cold growth lag phase duration periods displayed in BHI at 4 °C, the strains were similarly divided into groups of fast, intermediate and slow cold adaptors. Overall Swiss strains had faster exponential cold growth rates compared to Canadian strains. However gene expression analysis revealed no significant differences between fast and slow cold adapting strains in the ability to induce nine cold adaptation genes (lmo0501, cspA, cspD, gbuA, lmo0688, pgpH, sigB, sigH and sigL) in response to cold stress exposure. Neither was the presence of Stress survival islet 1 (SSI-1) analysed by PCR associated with enhanced cold adaptation. Phylogeny based on the sigL gene subdivided strains from these two countries into two major and one minor cluster. Fast cold adaptors were more frequently in one of the major clusters (cluster A), whereas slow cold adaptors were mainly in the other (cluster B). Genetic differences between these two major clusters are associated with various amino acid substitutions in the predicted SigL proteins. Compared to the EGDe type strain and most slow cold adaptors, most fast cold adaptors exhibited five identical amino acid substitutions (M90L, S203A/S203T, S304N, S315N, and I383T) in their SigL proteins. We hypothesize that these amino acid changes might be associated with SigL protein structural and functional changes that may promote differences in cold growth behaviour between L. monocytogenes strains.

  11. Plasma and cold sprayed aluminum carbon nanotube composites: Quantification of nanotube distribution and multi-scale mechanical properties

    NASA Astrophysics Data System (ADS)

    Bakshi, Srinivasa Rao

    Carbon nanotubes (CNT) could serve as potential reinforcement for metal matrix composites for improved mechanical properties. However dispersion of carbon nanotubes (CNT) in the matrix has been a longstanding problem, since they tend to form clusters to minimize their surface area. The aim of this study was to use plasma and cold spraying techniques to synthesize CNT reinforced aluminum composite with improved dispersion and to quantify the degree of CNT dispersion as it influences the mechanical properties. Novel method of spray drying was used to disperse CNTs in Al-12 wt.% Si prealloyed powder, which was used as feedstock for plasma and cold spraying. A new method for quantification of CNT distribution was developed. Two parameters for CNT dispersion quantification, namely Dispersion parameter (DP) and Clustering Parameter (CP) have been proposed based on the image analysis and distance between the centers of CNTs. Nanomechanical properties were correlated with the dispersion of CNTs in the microstructure. Coating microstructure evolution has been discussed in terms of splat formation, deformation and damage of CNTs and CNT/matrix interface. Effect of Si and CNT content on the reaction at CNT/matrix interface was thermodynamically and kinetically studied. A pseudo phase diagram was computed which predicts the interfacial carbide for reaction between CNT and Al-Si alloy at processing temperature. Kinetic aspects showed that Al4C3 forms with Al-12 wt.% Si alloy while SiC forms with Al-23wt.% Si alloy. Mechanical properties at nano, micro and macro-scale were evaluated using nanoindentation and nanoscratch, microindentation and bulk tensile testing respectively. Nano and micro-scale mechanical properties (elastic modulus, hardness and yield strength) displayed improvement whereas macro-scale mechanical properties were poor. The inversion of the mechanical properties at different scale length was attributed to the porosity, CNT clustering, CNT-splat adhesion and Al

  12. Cold isopressing method

    DOEpatents

    Chen, Jack C.; Stawisuck, Valerie M.; Prasad, Ravi

    2003-01-01

    A cold isopressing method in which two or more layers of material are formed within an isopressing mold. One of the layers consists of a tape-cast film. The layers are isopressed within the isopressing mold, thereby to laminate the layers and to compact the tape-cast film. The isopressing mold can be of cylindrical configuration with the layers being coaxial cylindrical layers. The materials used in forming the layers can contain green ceramic materials and the resultant structure can be fired and sintered as necessary and in accordance with known methods to produce a finished composite, ceramic structure. Further, such green ceramic materials can be of the type that are capable of conducting hydrogen or oxygen ions at high temperature with the object of utilizing the finished composite ceramic structure as a ceramic membrane element.

  13. Experiments in cold fusion

    SciTech Connect

    Palmer, E.P.

    1986-03-28

    The work of Steve Jones and others in muon-catalyzed cold fusion of deuterium and hydrogen suggests the possibility of such fusion catalyzed by ions, or combinations of atoms, or more-or-less free electrons in solid and liquid materials. A hint that this might occur naturally comes from the heat generated in volcanic action in subduction zones on the earth. It is questionable whether the potential energy of material raised to the height of a midocean ridge and falling to the depth of an ocean trench can produce the geothermal effects seen in the volcanoes of subduction zones. If the ridge, the trench, the plates, and the asthenosphere are merely visible effects of deeper density-gradient driven circulations, it is still uncertain that observed energy-concentration effects fit the models.

  14. Polymerase chain reaction (PCR)-based methods for detection/identification of mycotoxigenic fungi targeting fumonisin biosynthetic genes: Use of variation in FUM cluster location to distinguish between and quantify

    Technology Transfer Automated Retrieval System (TEKTRAN)

    The fungus Fusarium is an agricultural problem because it can cause disease on most crop plants and can contaminate crops with mycotoxins. There is considerable variation in the presence/absence and genomic location of gene clusters responsible for synthesis of mycotoxins and other secondary metabol...

  15. Drug Reactions

    MedlinePlus

    ... or diabetes. But medicines can also cause unwanted reactions. One problem is interactions, which may occur between ... more serious. Drug allergies are another type of reaction. They can be mild or life-threatening. Skin ...

  16. High Temperature Superconductivity and Cold Fusion

    NASA Astrophysics Data System (ADS)

    Rabinowitz, Mario

    There are numerous historical and scientific parallels between high temperature superconductivity (HTSC) and the newly emerging field of cold fusion (CF). Just as the charge carrier effective mass plays an important role in SC, the deuteron effective mass may play a vital role in CF. A new theory including effects of proximity, electron shielding, and decreased effective mass of the fusing nuclei can account for the reported CF results. A quantum-gas model that covers the range from low temperature to superhigh temperature SC indicates an increased Tc with reduced dimensionality. A reduced dimensionality effect may also enhance CF. A relation is shown between CF and the significant cluster-impact fusion experiments.

  17. A Cold and Wet Mars

    NASA Astrophysics Data System (ADS)

    Fairén, A. G.; Davila, A. F.; Duport, L. G.; Uceda, E. R.; Lim, D. S.; Amils, R.; McKay, C. P.

    2008-03-01

    Here we consider the hypothesis that cold and hypersaline liquid solutions have been stable on the surface of Mars under subzero mean temperatures and for relatively extended periods of time, completing a hydrogeological cycle in a water-enriched but cold planet.

  18. Detection of interstellar hydrogen sulfide in cold, dark clouds.

    PubMed

    Minh, Y C; Irvine, W M; Ziurys, L M

    1989-10-01

    We have detected interstellar hydrogen sulfide (H2S) toward the cold, dark clouds L134N and TMC 1. We derive total column densities of approximately 2.6 x 10(13) cm-2 and approximately 7.0 x 10(12) cm-2 at the SO peak of L134N and at the NH3 peak of TMC 1, respectively. Since the expected gas phase reactions leading to the formation of H2S are thought to be endothermic, grain surface reactions may play a major role in the synthesis of this species in cold, dark clouds. If the carbon abundance is high and grain surface reactions are the dominant formation route, H2CS would be expected to form instead of H2S, and the abundances of H2CS have been observed to be high where those of H2S are low in L134N and TMC 1.

  19. Gas loss in simulated galaxies as they fall into clusters.

    PubMed

    Cen, Renyue; Pop, Ana Roxana; Bahcall, Neta A

    2014-06-01

    We use high-resolution cosmological hydrodynamic galaxy formation simulations to gain insights into how galaxies lose their cold gas at low redshift as they migrate from the field to the high-density regions of clusters of galaxies. We find that beyond three cluster virial radii, the fraction of gas-rich galaxies is constant, representing the field. Within three cluster-centric radii, the fraction of gas-rich galaxies declines steadily with decreasing radius, reaching <10% near the cluster center. Our results suggest galaxies start to feel the effect of the cluster environment on their gas content well beyond the cluster virial radius. We show that almost all gas-rich galaxies at the cluster virial radius are falling in for the first time at nearly radial orbits. Furthermore, we find that almost no galaxy moving outward at the cluster virial radius is gas-rich (with a gas-to-baryon ratio greater than 1%). These results suggest that galaxies that fall into clusters lose their cold gas within a single radial round-trip.

  20. Gas loss in simulated galaxies as they fall into clusters.

    PubMed

    Cen, Renyue; Pop, Ana Roxana; Bahcall, Neta A

    2014-06-01

    We use high-resolution cosmological hydrodynamic galaxy formation simulations to gain insights into how galaxies lose their cold gas at low redshift as they migrate from the field to the high-density regions of clusters of galaxies. We find that beyond three cluster virial radii, the fraction of gas-rich galaxies is constant, representing the field. Within three cluster-centric radii, the fraction of gas-rich galaxies declines steadily with decreasing radius, reaching <10% near the cluster center. Our results suggest galaxies start to feel the effect of the cluster environment on their gas content well beyond the cluster virial radius. We show that almost all gas-rich galaxies at the cluster virial radius are falling in for the first time at nearly radial orbits. Furthermore, we find that almost no galaxy moving outward at the cluster virial radius is gas-rich (with a gas-to-baryon ratio greater than 1%). These results suggest that galaxies that fall into clusters lose their cold gas within a single radial round-trip. PMID:24843167

  1. Gas loss in simulated galaxies as they fall into clusters

    PubMed Central

    Cen, Renyue; Pop, Ana Roxana; Bahcall, Neta A.

    2014-01-01

    We use high-resolution cosmological hydrodynamic galaxy formation simulations to gain insights into how galaxies lose their cold gas at low redshift as they migrate from the field to the high-density regions of clusters of galaxies. We find that beyond three cluster virial radii, the fraction of gas-rich galaxies is constant, representing the field. Within three cluster-centric radii, the fraction of gas-rich galaxies declines steadily with decreasing radius, reaching <10% near the cluster center. Our results suggest galaxies start to feel the effect of the cluster environment on their gas content well beyond the cluster virial radius. We show that almost all gas-rich galaxies at the cluster virial radius are falling in for the first time at nearly radial orbits. Furthermore, we find that almost no galaxy moving outward at the cluster virial radius is gas-rich (with a gas-to-baryon ratio greater than 1%). These results suggest that galaxies that fall into clusters lose their cold gas within a single radial round-trip. PMID:24843167

  2. Protective coatings of metal surfaces by cold plasma treatment

    NASA Technical Reports Server (NTRS)

    Manory, R.; Grill, A.

    1985-01-01

    The cold plasma techniques for deposition of various types of protective coatings are reviewed. The main advantage of these techniques for deposition of ceramic films is the lower process temperature, which enables heat treating of the metal prior to deposition. In the field of surface hardening of steel, significant reduction of treatment time and energy consumption were obtained. A simple model for the plasma - surface reactions in a cold plasma system is presented, and the plasma deposition techniques are discussed in view of this model.

  3. A facility for using cluster research to study environmental problems

    SciTech Connect

    Not Available

    1991-11-01

    This report begins by describing the general application of cluster based research to environmental chemistry and the development of a Cluster Structure and Dynamics Research Facility (CSDRF). Next, four important areas of cluster research are described in more detail, including how they can impact environmental problems. These are: surface-supported clusters, water and contaminant interactions, time-resolved dynamic studies in clusters, and cluster structures and reactions. These facilities and equipment required for each area of research are then presented. The appendices contain workshop agenda and a listing of the researchers who participated in the workshop discussions that led to this report.

  4. The wheat aquaporin gene TaAQP7 confers tolerance to cold stress in transgenic tobacco.

    PubMed

    Huang, Chao; Zhou, Shiyi; Hu, Wei; Deng, Xiaomin; Wei, Shuya; Yang, Guangxiao; He, Guangyuan

    2014-01-01

    Aquaporin proteins (AQPs) have been shown to be involved in abiotic stress responses. However, the precise role of AQPs, especially in response to cold stress, is not understood in wheat (Triticum aestivum). In the present study, quantitative real time polymerase chain reaction (qRT-PCR) analysis revealed that TaAQP7 expression increased in leaves, but decreased in roots after cold treatment. Expression of TaAQP7 in tobacco plants resulted in increased root elongation and better growth compared with wild-type (WT) plants under cold stress. Moreover, after cold treatment, the transgenic tobacco lines exhibited higher chlorophyll contents, lower levels of malondialdehyde (MDA), and less ion leakage (IL) than WT plants. Thus, expression of TaAQP7 enhanced cold stress tolerance in transgenic tobacco. Taken together, our results suggest that TaAQP7 confers cold stress tolerance by relieving membrane damage in the transgenic plants.

  5. Cold-Weather Sports and Your Family

    MedlinePlus

    ... 5 Things to Know About Zika & Pregnancy Cold-Weather Sports and Your Family KidsHealth > For Parents > Cold- ... once the weather turns frosty. Beating the Cold-Weather Blahs Once a chill is in the air, ...

  6. Cold dark matter halos

    NASA Astrophysics Data System (ADS)

    Dubinski, John Joseph

    The dark halos arising in the Cold Dark Matter (CDM) cosmology are simulated to investigate the relationship between the structure and kinematics of dark halos and galaxies. Realistic cosmological initial conditions and tidal field boundary conditions are used in N-body simulations of the collapse of density peaks to form dark halos. The core radii of dark halos are no greater than the softening radius, rs = 1.4 kpc. The density profiles can be fit with an analytical Hernquist (1990) profile with an effective power law which varies between -1 in the center to -4 at large radii. The rotation curves of dark halos resemble the flat rotation curves of spiral galaxies in the observed range, 1.5 approximately less than r approximately less than 30 kpc. The halos are strongly triaxial and very flat with (c/a) = 0.50 and (b/a) = 0.71. The distribution of ellipticities for dark halos reaches a maximum at epsilon = 0.5 in contrast to the distribution for elliptical galaxies which peaks at epsilon = 0.2 suggesting that ellipticals are much rounder than dark halos. Dark halos are generally flatter than their progenitor density peaks. The final shape and orientation of a dark halo are largely determined by tidal torquing and are sensitive to changes in the strength and orientation of a tidal field. Dark halos are pressure supported objects with negligible rotational support as indicated by the mean dimensionless spin, lamda = 0.042 +/- 0.024. The angular momentum vector tends to align with the true minor axis of dark halos. Elliptical galaxies have a similar behavior implied by the observation of the tendency for alignment of the rotation vector and the apparent minor axis. The origin of this behavior may be traced to the tendency for tidal torques to misalign with the major axis of a density peak. Tidal torques are found to isotropize the velocity ellipsoids of dark halos at large radii, contrary to the expectation of radially anisotropic velocity ellipsoids in cold collapse

  7. Immediate hypersensitivity reaction with mango.

    PubMed

    Shah, Ashok; Gera, Kamal

    2014-01-01

    Hypersensitivity to the fruit mango is extremely rare and can exhibit either as immediate or delayed reactions. Since 1939, only 22 patients (10 with immediate type I reactions and 12 with delayed) have been documented with allergy to mango. History of atopy and geographical region may influence the type of reaction. Immediate reactions occurred most often in patients with history of atopy, while delayed reactions developed in non-atopic individuals. Clustering of delayed hypersensitivity reports from Australia and immediate reactions from Europe has been documented. We report a 50-year-old man with immediate type I hypersensitivity to mango, who developed cough, wheezing dyspnoea, generalised itching and abdominal discomfort after ingestion of mango. Life threatening event can also happen making it imperative to diagnose on time, so as to prevent significant morbidity and potential mortality. PMID:25133813

  8. Non-centrosomal microtubule-organising centres in cold-treated cultured Drosophila cells.

    PubMed

    Cottam, Deborah M; Tucker, John B; Rogers-Bald, Margaret M; Mackie, John B; Macintyre, John; Scarborough, Julie A; Ohkura, Hiroyuki; Milner, Martin J

    2006-02-01

    In this paper we describe a new type of non-centrosomal microtubule-organising centre (MTOC), which is induced by cold treatment of certain cultured Drosophila cells and allows rapid reassembly of microtubule (MT) arrays. Prolonged cooling of two types of cultured Drosophila cells, muscle cells in primary culture and a wing imaginal disc cell line Cl.8+ results in disassembly of MT arrays and induces the formation of clusters of short MTs that have not been described before. Upon rewarming, the clusters are lost and the MT array is re-established within 1 h. In Cl.8+ cells, gamma-tubulin-containing centrosomes are detected, both in cell extensions and in the expected juxtanuclear position, and gamma-tubulin co-localises with the cold-induced MT clusters. The MT plus-end-binding protein, Drosophila EB1, decorates growing tips of MTs extending from clusters. We conclude that the cold-induced MT clusters represent acentrosomal MTOCs, allowing rapid reassembly of MT arrays following exposure to cold.

  9. Does cold tolerance plasticity correlate with the thermal environment and metabolic profiles of a parasitoid wasp?

    PubMed

    Foray, Vincent; Desouhant, Emmanuel; Voituron, Yann; Larvor, Vanessa; Renault, David; Colinet, Hervé; Gibert, Patricia

    2013-01-01

    Tolerance of ectotherm species to cold stress is highly plastic according to thermal conditions experienced prior to cold stress. In this study, we investigated how cold tolerance varies with developmental temperature (at 17, 25 and 30°C) and whether developmental temperature induces different metabolic profiles. Experiments were conducted on the two populations of the parasitoid wasp, Venturia canescens, undergoing contrasting thermal regimes in their respective preferential habitat (thermally variable vs. buffered). We predicted the following: i) development at low temperatures improves the cold tolerance of parasitoid wasps, ii) the shape of the cold tolerance reaction norm differs between the two populations, and iii) these phenotypic variations are correlated with their metabolic profiles. Our results showed that habitat origin and developmental acclimation interact to determine cold tolerance and metabolic profiles of the parasitoid wasps. Cold tolerance was promoted when developmental temperatures declined and population originating from variable habitat presented a higher cold tolerance. Cold tolerance increases through the accumulation of metabolites with an assumed cryoprotective function and the depression of metabolites involved in energy metabolism. Our data provide an original example of how intraspecific cold acclimation variations correlate with metabolic response to developmental temperature.

  10. Cold fusion studies

    NASA Astrophysics Data System (ADS)

    Hembree, D. M.; Burchfield, L. A.; Fuller, E. L., Jr.; Perey, F. G.; Mamantov, G.

    1990-06-01

    A series of experiments designed to detect the by-products expected from deuterium fusion occurring in the palladium and titanium cathodes of heavy water, D2O, electrolysis cells is reported. The primary purpose of this account is to outline the integrated experimental design developed to test the cold fusion hypothesis and to report preliminary results that support continuing the investigation. Apparent positive indicators of deuterium fusion were observed, but could not be repeated or proved to originate from the electrochemical cells. In one instance, two large increases in the neutron count rate, the largest of which exceeded the background by 27 standard deviations, were observed. In a separate experiment, one of the calorimetry cells appeared to be producing approximately 18 percent more power that the input value, but thermistor failure prevented an accurate recording of the event as a function of time. In general, the tritium levels in most cells followed the slow enrichment expected from the electrolysis of D2O containing a small amount of tritium. However, after 576 hours of electrolysis, one cell developed a tritium concentration approximately seven times greater than expected level.

  11. Zitterbewegung in Cold Atoms

    NASA Astrophysics Data System (ADS)

    Penteado, Poliana; Egues, J. Carlos

    2013-03-01

    In condensed matter systems, the coupling between spatial and spin degrees of freedom through the spin-orbit (SO) interaction offers the possibility of manipulating the electron spin via its orbital motion. The proposal by Datta and Das of a `spin transistor' for example, highlights the use of the SO interaction to control the electron spin via electrical means. Recently, arrangements of crossed lasers and magnetic fields have been used to trap and cool atoms in optical lattices and also to create light-induced gauge potentials, which mimic the SO interactions in real solids. In this work, we investigate the Zitterbewegung in cold atoms by starting from the effective SO Hamiltonian derived in Ref.. Cross-dressed atoms as effective spins can provide a proper setting in which to observe this effect, as the relevant parameter range of SO strengths may be more easily attainable in this context. We find a variety of peculiar Zitterbewegung orbits in real and pseudo-spin spaces, e.g., cycloids and ellipses - all of which obtained with realistic parameters. This work is supported by FAPESP, CAPES and CNPq.

  12. Versatile cold atom target apparatus

    SciTech Connect

    Goetz, Simone; Hoeltkemeier, Bastian; Hofmann, Christoph S.; Litsch, Dominic; DePaola, Brett D.; Weidemueller, Matthias

    2012-07-15

    We report on a compact and transportable apparatus that consists of a cold atomic target at the center of a high resolution recoil ion momentum spectrometer. Cold rubidium atoms serve as a target which can be operated in three different modes: in continuous mode, consisting of a cold atom beam generated by a two-dimensional magneto-optical trap, in normal mode in which the atoms from the beam are trapped in a three-dimensional magneto-optical trap (3D MOT), and in high density mode in which the 3D MOT is operated in dark spontaneous optical trap configuration. The targets are characterized using photoionization.

  13. Plants in a cold climate.

    PubMed Central

    Smallwood, Maggie; Bowles, Dianna J

    2002-01-01

    Plants are able to survive prolonged exposure to sub-zero temperatures; this ability is enhanced by pre-exposure to low, but above-zero temperatures. This process, known as cold acclimation, is briefly reviewed from the perception of cold, through transduction of the low-temperature signal to functional analysis of cold-induced gene products. The stresses that freezing of apoplastic water imposes on plant cells is considered and what is understood about the mechanisms that plants use to combat those stresses discussed, with particular emphasis on the role of the extracellular matrix. PMID:12171647

  14. Ab initio studies on the solvation, electronic structures and intracluster reactions in M(+)L(n), with M(+)=magnesium and calcium singly-charged ions, L=water, methanol, ammonia, and n=1-6, and the elimination of a hydrogen atom in H atom in hydrated sodium clusters

    NASA Astrophysics Data System (ADS)

    Chan, Ka Wai

    The solvation and electronic structures of M+Ln, with M+ = Mg+ and Cat, L = H2O, CH 3OH and NH3, n=1-6 were investigated by ab initio calculations using G03 package and density functional theory based ab initio molecular dynamics (AIMD) simulations with projector augmented-wave (PAW) method and a planewave basis set using Vienna Ab initio Simulation Package (VASP). Furthermore, ab initio studies on the intracluster reactions of Mg+ and Ca+ ions with different solvent molecules, H2O, CH3OH and NH3, were also done using G03 package. Finally, the elimination of a H atom in Na(H2O)n was studied. Such studies on the interactions and reactivity in gas clusters can provide insights into their analogies existing in condense phase. Interactions of Mg+ and Ca+ ions in different solvent molecules, H2O, CH3OH and NH3, were calculated with B3LYP and MP2 methods with basis sets 6-31+g** and 6-311+g**. A systematic comparison on the structures and reactivities of these clusters should provide a better understanding on the interplay of the ion-solvent, solvent-solvent, and electron-solvent interactions. It can provide a better understanding on the structures and bonding of complexes having analogies to those existing in condense phase. For Mg+(CH3OH)n and Ca+(CH 3OH)n, both H-elimination from OH/CH bond and CH3-elimination were investigated. H-elimination from O---H bond becomes more accessible for large cluster due to the diffusion of electron density to O---H bond. Studies on the H-elimination in Mg+(NH3)n and H-elimination from C---H bond in Mg+(CH3OH) n show that the reaction barriers flatten above 20 kcal/mol as n reaches 4 and above. These calculation results prove that the source of loss of H atom in ground state Mg+(CH3OH)n should be through the O---H bond rather than through the C---H bond. Compared to Mg+(CH3OH)n, the reaction barriers for H-elimination in Mg+(NH3)n is much larger, which is in consistent with the experimental observation of little H-elimination for Mg

  15. Chaotic cold accretion on to black holes

    NASA Astrophysics Data System (ADS)

    Gaspari, M.; Ruszkowski, M.; Oh, S. Peng

    2013-07-01

    many systems, such as hot galactic haloes, groups and clusters. In this mode, the black hole can quickly react to the state of the entire host galaxy, leading to efficient self-regulated AGN feedback and the symbiotic Magorrian relation. Chaotic accretion can generate high-velocity clouds, likely leading to strong variations in the AGN luminosity, and the deflection or mass-loading of jets. During phases of overheating, the hot mode becomes the single channel of accretion, though strongly suppressed by turbulence. High-resolution data could determine the current mode of accretion: assuming quiescent feedback, the cold mode results in a quasi-flat-temperature core as opposed to the cuspy profile of the hot mode.

  16. Ionization dynamics of small water clusters: Proton transfer rate

    NASA Astrophysics Data System (ADS)

    Tachikawa, Hiroto; Takada, Tomoya

    2016-08-01

    The surfaces of icy planets and comets are composed of frozen water (H2O), carbon dioxide (CO2), and methane (CH4). These surfaces are irradiated by solar wind and cosmic rays from the interstellar space and they cause ionization of surface molecules. In this report, the effects of ionization of cold water clusters have been investigated using a direct ab initio molecular dynamics (AIMD) method to elucidate the rate of proton transfer (PT) in cations of small water clusters (H2O)n (n = 2-7). After ionization of the water clusters, PT occurred in all the cluster cations, and dissociation of the OH radical occurred for n = 4-7. The time of PT decreased with increasing the cluster size at n = 2-5 and reached a limiting value at n = 6 and 7. The mechanism of the PT process in ionized water clusters was discussed based on the theoretical results.

  17. Structures and Components in Galaxy Clusters: Observations and Models

    NASA Astrophysics Data System (ADS)

    Bykov, A. M.; Churazov, E. M.; Ferrari, C.; Forman, W. R.; Kaastra, J. S.; Klein, U.; Markevitch, M.; de Plaa, J.

    2015-05-01

    Clusters of galaxies are the largest gravitationally bounded structures in the Universe dominated by dark matter. We review the observational appearance and physical models of plasma structures in clusters of galaxies. Bubbles of relativistic plasma which are inflated by supermassive black holes of AGNs, cooling and heating of the gas, large scale plasma shocks, cold fronts, non-thermal halos and relics are observed in clusters. These constituents are reflecting both the formation history and the dynamical properties of clusters of galaxies. We discuss X-ray spectroscopy as a tool to study the metal enrichment in clusters and fine spectroscopy of Fe X-ray lines as a powerful diagnostics of both the turbulent plasma motions and the energetics of the non-thermal electron populations. The knowledge of the complex dynamical and feedback processes is necessary to understand the energy and matter balance as well as to constrain the role of the non-thermal components of clusters.

  18. 2008 Molecular and Ionic Clusters - September 7-12, 2008

    SciTech Connect

    Jeremy M. Hutson

    2009-09-21

    The Gordon Research Conference on Molecular and Ionic Clusters was held at Centre Paul Langevin, Aussois, France, September 7-12, 2008. The Conference was well-attended with 129 participants (attendees list attached). The attendees represented the spectrum of endeavor in this field coming from academia, industry, and government laboratories, both U.S. and foreign scientists, senior researchers, young investigators, and students. The conference covered the spectroscopy, dynamics, and reactivity of a wide range of cluster types and sizes, including helium nanodroplets, metal clusters, ionic clusters, hydrogen-bonded networks, and clusters involving biological molecules. Special sessions on cold-molecule collisions and aerosols are also planned. Both experimental and theoretical aspects of cluster science will be well-represented at the conference.

  19. Measuring the Cold Mask Offset

    NASA Astrophysics Data System (ADS)

    Roye, E.; Krist, J.; Schultz, A. B.; Wiklind, T.

    2003-04-01

    An unexpected increase in measured thermal background during the Cycle 11 early calibration program caused speculation that the cold mask position could have shifted since Cycle 7. To address this concern, a single orbit NICMOS program was executed (Program ID: 9704) to obtain deep PSF images of the star LHS1846 in all three cameras. Analysis of this data using the Phase Retrieval software package revealed a minimal amount of cold mask shift since Cycle 7 and provided new, more accurate cold mask values for the Tiny Tim PSF modeling software. It was concluded that the cold mask position was not the cause of increased thermal background observed during the Cycle 11 early calibration program. Increased thermal background has since been determined to be the result of increased thermal load on the HST aft shroud due to the addition of ACS and NCS during SM3b.

  20. A study of cooling flows in poor clusters of galaxies

    NASA Technical Reports Server (NTRS)

    Kriss, Gerard A.; Dillingham, Stephen

    1995-01-01

    We observed three poor clusters with central dominant galaxies (AWM 4, MKW 4, and MKW 3's) using the Position Sensitive Proportional Counter on the ROSAT X-ray satellite. The images reveal smooth, symmetrical X-ray emission filling the cluster with a sharp peak on each central galaxy. The cluster surface brightness profiles can be decomposed using superposed King models for the central galaxy and the intracluster medium. The King model parameters for the cluster portions are consistent with previous observations of these clusters. The newly measured King model parameters for the central galaxies are typical of the X-ray surface brightness distributions of isolated elliptical galaxies. Spatially resolved temperature measurements in annular rings throughout the clusters show a nearly isothermal profile. Temperatures are consistent with previously measured values, but are much better determined. There is no significant drop in temperature noted in the innermost bins where cooling flows are likely to be present, nor is any excess absorption by cold gas required. All cold gas columns are consistent with galactic foreground absorption. We derive mass profiles for the clusters assuming both isothermal temperature profiles and cooling flow models with constant mass flow rates. Our results are consistent with previous Einstein IPC observations by Kriss, Cioffi, & Canizares, but extend the mass profiles out to 1 Mpc in these poor clusters.

  1. A study of cooling flows in poor clusters of galaxies

    NASA Astrophysics Data System (ADS)

    Kriss, Gerard A.; Dillingham, Stephen

    1995-08-01

    We observed three poor clusters with central dominant galaxies (AWM 4, MKW 4, and MKW 3's) using the Position Sensitive Proportional Counter on the ROSAT X-ray satellite. The images reveal smooth, symmetrical X-ray emission filling the cluster with a sharp peak on each central galaxy. The cluster surface brightness profiles can be decomposed using superposed King models for the central galaxy and the intracluster medium. The King model parameters for the cluster portions are consistent with previous observations of these clusters. The newly measured King model parameters for the central galaxies are typical of the X-ray surface brightness distributions of isolated elliptical galaxies. Spatially resolved temperature measurements in annular rings throughout the clusters show a nearly isothermal profile. Temperatures are consistent with previously measured values, but are much better determined. There is no significant drop in temperature noted in the innermost bins where cooling flows are likely to be present, nor is any excess absorption by cold gas required. All cold gas columns are consistent with galactic foreground absorption. We derive mass profiles for the clusters assuming both isothermal temperature profiles and cooling flow models with constant mass flow rates. Our results are consistent with previous Einstein IPC observations by Kriss, Cioffi, & Canizares, but extend the mass profiles out to 1 Mpc in these poor clusters.

  2. Cold prebiotic evolution, tunneling, chirality and exobiology

    SciTech Connect

    Goldanskii, V.I.

    1996-07-01

    The extra-terrestrial scenario of the origin of life suggested by Svante Arrhenius (1) as the {open_quote}panspermia{close_quote} hypothesis was revived by the discovery of a low-temperature quantum limit of a chemical reaction rate caused by the molecular tunneling (2). Entropy factors play no role near absolute zero, and slow molecular tunneling can lead to the exothermic formation of quite complex molecules. Interstellar grains or particles of cometary tails could serve as possible cold seeds of life, with acetic acid, urea and products of their polycondensation as quasi-equilibrium intermediates. Very cold solid environment hinders racemization and stabilizes optical activity under conditions typical for outer space. Neither {open_quote}advantage{close_quote} factors can secure the evolutionary formation of chiral purity of initial prebiotic monomeric medium{emdash}even being temporary achieved it cannot be maintained at subsequent stages of prebiotic evolution because of counteraction of {open_quote}enantioselective pressure{close_quote}. Only bifurcational mechanism of the formation of prebiotic homochiral{emdash}monomeric and afterwards polymeric{emdash}medium and its subsequent transformation in {open_quote}homochiral chemical automata{close_quote} ({open_quote}biological big bang{close_quote}{emdash}passage from {open_quote}stochastic{close_quote} to {open_quote}algorithmic{close_quote} chemistry) is possible and can be realized. Extra-terrestrial (cold, solid phase) scenarios of the origin of life seem to be more promising from that point of view than terrestrial (warm) scenarios. Within a scheme of five main stages of prebiological evolution some problems important for further investigation are briefly discussed. {copyright} {ital 1996 American Institute of Physics.}

  3. The role of free radicals in cold injuries

    NASA Astrophysics Data System (ADS)

    Bhaumik, G.; Srivastava, K. K.; Selvamurthy, W.; Purkayastha, S. S.

    1995-12-01

    Cold injury is a tissue trauma produced by exposure to freezing temperatures and even brief exposure to a severely cold and windy environment. Rewarming of frozen tissue is associated with blood reperfusion and the simultaneous generation of free oxygen radicals. In this review is discussed the current understanding of the mechanism of action of free oxygen radicals as related to cold injury during rewarming. Decreased energy stores during ischaemia lead to the accumulation of adenine nucleotides and liberation of free fatty acids due to the breakdown of lipid membranes. On rewarming, free fatty acids are metabolized via cyclo-oxygenase and adenine nucleotides are metabolized via the xanthine oxidase pathway. These may be the source of free oxygen radicals. Leukocytes may also play a major role in the pathogenesis of cold injury. Oxygen radical scavengers, such as superoxide dismutase and catalase, may help to reduce the cold induced injury but their action is limited due to the inability readily to cross the plasma membrane. Lipid soluble antioxidants are likely to be more effective scavengers because of their presence in membranes where peroxidative reactions can be arrested.

  4. One-dimensional cold cap model for melters with bubblers

    SciTech Connect

    Pokorny, Richard; Hilliard, Zachary J.; Dixon, Derek R.; Schweiger, Michael J.; Guillen, Donna P.; Kruger, Albert A.; Hrma, Pavel

    2015-07-28

    The rate of glass production during vitrification in an all-electrical melter greatly impacts the cost and schedule of nuclear waste treatment and immobilization. The feed is charged to the melter on the top of the molten glass, where it forms a layer of reacting and melting material, called the cold cap. During the final stages of the batch-to-glass conversion process, gases evolved from reactions produce primary foam, the growth and collapse of which controls the glass production rate. The mathematical model of the cold cap was revised to include functional representation of primary foam behavior and to account for the dry cold cap surface. The melting rate is computed as a response to the dependence of the primary foam collapse temperature on the heating rate and melter operating conditions, including the effect of bubbling on the cold cap bottom and top surface temperatures. The simulation results are in good agreement with experimental data from laboratory-scale and pilot-scale melter studies. Lastly, the cold cap model will become part of the full three-dimensional mathematical model of the waste glass melter.

  5. One-dimensional cold cap model for melters with bubblers

    DOE PAGES

    Pokorny, Richard; Hilliard, Zachary J.; Dixon, Derek R.; Schweiger, Michael J.; Guillen, Donna P.; Kruger, Albert A.; Hrma, Pavel

    2015-07-28

    The rate of glass production during vitrification in an all-electrical melter greatly impacts the cost and schedule of nuclear waste treatment and immobilization. The feed is charged to the melter on the top of the molten glass, where it forms a layer of reacting and melting material, called the cold cap. During the final stages of the batch-to-glass conversion process, gases evolved from reactions produce primary foam, the growth and collapse of which controls the glass production rate. The mathematical model of the cold cap was revised to include functional representation of primary foam behavior and to account for themore » dry cold cap surface. The melting rate is computed as a response to the dependence of the primary foam collapse temperature on the heating rate and melter operating conditions, including the effect of bubbling on the cold cap bottom and top surface temperatures. The simulation results are in good agreement with experimental data from laboratory-scale and pilot-scale melter studies. Lastly, the cold cap model will become part of the full three-dimensional mathematical model of the waste glass melter.« less

  6. Cold surge: a sudden and spatially varying threat to health?

    PubMed

    Yang, Tse-Chuan; Wu, Pei-Chih; Chen, Vivian Yi-Ju; Su, Huey-Jen

    2009-05-01

    While cold surge is one of the most conspicuous features of the winter monsoon in East Asia, its impact on human health remains underexplored. Based on the definition by the Central Weather Bureau in Taiwan, we identified four cold surges between 2000 and 2003 and collected the cardiovascular disease mortality data 2 weeks before and 2 weeks after these events. We attempted to answer the following research questions: 1) whether the cold surges impose an adverse and immediate effect on cardiovascular mortality; 2) whether the people living in temperate zones have a higher tolerance of extreme temperature drop than those in the subtropics. With geographic weighting techniques, we not only found that the cardiovascular disease mortality rates increased significantly after the cold surges, but also discovered a spatially varying pattern of tolerance to cold surges. Even within a small study area such as Taiwan, human reaction to severe weather drop differs across space. Needless to say, in the U.S., these findings should be considered in redirecting policy to address populations living in warm places when extreme temperature drops occur.

  7. Clusters of Galaxies: Setting the Stage

    NASA Astrophysics Data System (ADS)

    Diaferio, A.; Schindler, S.; Dolag, K.

    2008-02-01

    Clusters of galaxies are self-gravitating systems of mass ˜1014 1015 h -1 M⊙ and size ˜1 3 h -1 Mpc. Their mass budget consists of dark matter (˜80%, on average), hot diffuse intracluster plasma (≲20%) and a small fraction of stars, dust, and cold gas, mostly locked in galaxies. In most clusters, scaling relations between their properties, like mass, galaxy velocity dispersion, X-ray luminosity and temperature, testify that the cluster components are in approximate dynamical equilibrium within the cluster gravitational potential well. However, spatially inhomogeneous thermal and non-thermal emission of the intracluster medium (ICM), observed in some clusters in the X-ray and radio bands, and the kinematic and morphological segregation of galaxies are a signature of non-gravitational processes, ongoing cluster merging and interactions. Both the fraction of clusters with these features, and the correlation between the dynamical and morphological properties of irregular clusters and the surrounding large-scale structure increase with redshift. In the current bottom-up scenario for the formation of cosmic structure, where tiny fluctuations of the otherwise homogeneous primordial density field are amplified by gravity, clusters are the most massive nodes of the filamentary large-scale structure of the cosmic web and form by anisotropic and episodic accretion of mass, in agreement with most of the observational evidence. In this model of the universe dominated by cold dark matter, at the present time most baryons are expected to be in a diffuse component rather than in stars and galaxies; moreover, ˜50% of this diffuse component has temperature ˜0.01 1 keV and permeates the filamentary distribution of the dark matter. The temperature of this Warm-Hot Intergalactic Medium (WHIM) increases with the local density and its search in the outer regions of clusters and lower density regions has been the quest of much recent observational effort. Over the last thirty

  8. Garlic for the common cold.

    PubMed

    Lissiman, Elizabeth; Bhasale, Alice L; Cohen, Marc

    2014-01-01

    Background Garlic is alleged to have antimicrobial and antiviral properties that relieve the common cold, among other beneficial effects. There is widespread usage of garlic supplements. The common cold is associated with significant morbidity and economic consequences. On average, children have six to eight colds per year and adults have two to four.Objectives To determine whether garlic (Allium sativum) is effective for the prevention or treatment of the common cold, when compared to placebo, no treatment or other treatments.Search methods We searched CENTRAL (2014, Issue 7),OLDMEDLINE (1950 to 1965),MEDLINE (January 1966 to July week 5, 2014), EMBASE(1974 to August 2014) and AMED (1985 to August 2014).Selection criteria Randomised controlled trials of common cold prevention and treatment comparing garlic with placebo, no treatment or standard treatment.Data collection and analysis Two review authors independently reviewed and selected trials from searches, assessed and rated study quality and extracted relevant data.Main results In this updated review, we identified eight trials as potentially relevant from our searches. Again, only one trial met the inclusion criteria.This trial randomly assigned 146 participants to either a garlic supplement (with 180 mg of allicin content) or a placebo (once daily)for 12 weeks. The trial reported 24 occurrences of the common cold in the garlic intervention group compared with 65 in the placebo group (P value < 0.001), resulting in fewer days of illness in the garlic group compared with the placebo group (111 versus 366). The number of days to recovery from an occurrence of the common cold was similar in both groups (4.63 versus 5.63). Only one trial met the inclusion criteria, therefore limited conclusions can be drawn. The trial relied on self reported episodes of the common cold but was of reasonable quality in terms of randomisation and allocation concealment. Adverse effects included rash and odour. Authors' conclusions

  9. Garlic for the common cold.

    PubMed

    Lissiman, Elizabeth; Bhasale, Alice L; Cohen, Marc

    2014-11-11

    Background Garlic is alleged to have antimicrobial and antiviral properties that relieve the common cold, among other beneficial effects. There is widespread usage of garlic supplements. The common cold is associated with significant morbidity and economic consequences. On average, children have six to eight colds per year and adults have two to four.Objectives To determine whether garlic (Allium sativum) is effective for the prevention or treatment of the common cold, when compared to placebo, no treatment or other treatments.Search methods We searched CENTRAL (2014, Issue 7),OLDMEDLINE (1950 to 1965),MEDLINE (January 1966 to July week 5, 2014), EMBASE(1974 to August 2014) and AMED (1985 to August 2014).Selection criteria Randomised controlled trials of common cold prevention and treatment comparing garlic with placebo, no treatment or standard treatment.Data collection and analysis Two review authors independently reviewed and selected trials from searches, assessed and rated study quality and extracted relevant data.Main results In this updated review, we identified eight trials as potentially relevant from our searches. Again, only one trial met the inclusion criteria.This trial randomly assigned 146 participants to either a garlic supplement (with 180 mg of allicin content) or a placebo (once daily)for 12 weeks. The trial reported 24 occurrences of the common cold in the garlic intervention group compared with 65 in the placebo group (P value < 0.001), resulting in fewer days of illness in the garlic group compared with the placebo group (111 versus 366). The number of days to recovery from an occurrence of the common cold was similar in both groups (4.63 versus 5.63). Only one trial met the inclusion criteria, therefore limited conclusions can be drawn. The trial relied on self reported episodes of the common cold but was of reasonable quality in terms of randomisation and allocation concealment. Adverse effects included rash and odour. Authors' conclusions

  10. Block Coloplyer Nanoreactors for Inorganic Cluster Synthesis

    NASA Astrophysics Data System (ADS)

    Cohen, Robert E.

    1997-03-01

    We have generalized our work on the spatial confinement of inorganic clusters in block copolymers to a nanoreactor scheme for cluster synthesis. Using this new methodology, a wide range of inorganic clusters can be synthesized from a single block copolymer starting material. Metals are selectively sequestered into domains of the heterogeneous block copolymer morphology, either from aqueous solutions of suitably chosen salts or via vapor permeation of organometallic compounds. Once "loaded", these metal-containing domains serve as localized reaction sites for cluster synthesis. The metal-sequestering sites are rejuvenated, rendering the nanoreactors capable of being reloaded with more of the same metal, or another, for further cluster synthesis. Magnetic and optical properties of free-standing block copolymer films containing various types of nanoclusters will be discussed.

  11. Distinction between cold-sensitive and -tolerant jute by DNA polymorphisms.

    PubMed

    Hossain, Mohammad Belayat; Awal, Aleya; Rahman, Mohammad Aminur; Haque, Samiul; Khan, Haseena

    2003-09-30

    Jute is the principal coarse fiber for commercial production and use in Bangladesh. Therefore, the development of a high-yielding and environmental-stress tolerant jute variety would be beneficial for the agro economy of Bangladesh. Two molecular fingerprinting techniques, random-amplified polymorphic DNA (RAPD) and amplified-fragment length polymorphism (AFLP) were applied on six jute samples. Two of them were cold-sensitive varieties and the remaining four were cold-tolerant accessions. RAPD and AFLP fingerprints were employed to generate polymorphism between the cold-sensitive varieties and cold-tolerant accessions because of their simplicity, and also because there is no available sequence information on jute. RAPD data were obtained by using 30 arbitrary oligonucleotide primers. Five primers were found to give polymorphism between the varieties that were tested. AFLP fingerprints were generated using 25 combinations of selective-amplification primers. Eight primer combinations gave the best results with 93 polymorphic fragments, and they were able to discriminate the two cold-sensitive and four cold-tolerant jute populations. A cluster analysis, based on the RAPD and AFLP fingerprint data, showed the population-specific grouping of individuals. This information could be useful later in marker-aided selection between the cold-sensitive varieties and cold-tolerant jute accessions.

  12. Reactivity of vinyl chloride ionic clusters

    NASA Astrophysics Data System (ADS)

    Martrenchard, S.; Dedonder-Lardeux, C.; Dimicoli, I.; Grégoire, G.; Jouvet, C.; Mons, M.; Solgadi, D.

    1998-12-01

    The reactivity of vinyl chloride ionic clusters has been investigated by the Threshold PhotoElectron PhotoIon COincidences technique. In the case of the dimer, the competition between the three reactive channels (HCl, Cl ṡ and CH 2Cl elimination) has been studied. The main reactive channel is HCl elimination which proceeds through a 0.2 eV barrier. This elimination reaction is still observed in the trimer but not in larger clusters. For these clusters, cooling by evaporation of neutral vinyl chloride monomers seems to be the favored channel that hinders the HCl elimination step.

  13. Some Personal Reflections on the Cold Fusion ``Epsisode"

    NASA Astrophysics Data System (ADS)

    Miley, George H.

    2001-04-01

    This talk is largely based on a recent journal article (G. H. Miley, Accountability in Research, Vol. 8), pp 121-135 (2000). I prepared to discuss ethical issues in scientific research based on my experiences during and following the hectic period created by the public announcement of ``Cold Fusion" in 1989 by Drs. Pons and Fleischmann. This will include a personal account of several controversial situations I encountered as one of the early researchers in CF (who has persistently kept going!) and as editor of Fusion Technology (FT) where many of the reviewed papers on the topic have appeared. Finally, the history of the ``new" branch of cold fusion termed ``Low Energy Nuclear Reactions (LENRs)"(G. H. Miley, ``Characteristics of Potential Low-Energy Nuclear Reactions in Solids," Transactions of ANS, Nashville, TN, June 7-11, 1998. pp 82-83), where the hydrogen and metal electrode material react directly causing ``transmutation" products will be briefly outlined.

  14. Cluster: A fleet of four spacecraft to study plasma structures in three dimensions

    NASA Technical Reports Server (NTRS)

    Schmidt, R.; Goldstein, M. L.

    1988-01-01

    The four Cluster spacecraft are spin stabilized spacecraft which are designed and built under stringent requirements as far as electromagnetic cleanliness is concerned. Conductive surfaces and low electromagnetic background noise are mandatory for accurate electric field and cold plasma measurements. The mission is implemented in collaboration between ESA and NASA. A Russian mission will be closely coordinated with Cluster.

  15. Microscopic cold fission yields of {sup 252}Cf

    SciTech Connect

    Mirea, M.; Delion, D. S.; Sandulescu, A.

    2010-04-15

    We show that the sharp maximum corresponding to {sup 107}Mo in the fragment distribution of the {sup 252}Cf cold fission is actually a Sn-like radioactivity, similar to other decay processes in which magic nuclei are involved, namely alpha decay and heavy cluster emission, also called Pb-like radioactivity. It turns out that the mass asymmetry degree of freedom has a key role in connecting initial Sn with the final Mo isotopes along the fission path. We investigate the cold rearrangement of nucleons within the framework of the two-center shell model in order to compute the cold valleys in the charge equilibrated fragmentation potential. The fission yields are estimated by using the semiclassical penetration approach. We consider 5 degrees of freedom, namely the interfragment distance, the shapes of fragments, the neck parameter, and mass asymmetry. We found an isomeric minimum between the internal and external barriers. It turns out that the inner cold valley of the total potential energy is connected to the doubly magic isotope {sup 132}Sn.

  16. Coping with the cold: the cold shock response in the Gram-positive soil bacterium Bacillus subtilis.

    PubMed Central

    Weber, Michael H W; Marahiel, Mohamed A

    2002-01-01

    All organisms examined to date, respond to a sudden change in environmental temperature with a specific cascade of adaptation reactions that, in some cases, have been identified and monitored at the molecular level. According to the type of temperature change, this response has been termed heat shock response (HSR) or cold shock response (CSR). During the HSR, a specialized sigma factor has been shown to play a central regulatory role in controlling expression of genes predominantly required to cope with heat-induced alteration of protein conformation. In contrast, after cold shock, nucleic acid structure and proteins interacting with the biological information molecules DNA and RNA appear to play a major cellular role. Currently, no cold-specific sigma factor has been identified. Therefore, unlike the HSR, the CSR appears to be organized as a complex stimulon rather than resembling a regulon. This review has been designed to draw a refined picture of our current understanding of the CSR in Bacillus subtilis. Important processes such as temperature sensing, membrane adaptation, modification of the translation apparatus, as well as nucleoid reorganization and some metabolic aspects, are discussed in brief. Special emphasis is placed on recent findings concerning the nucleic acid binding cold shock proteins, which play a fundamental role, not only during cold shock adaptation but also under optimal growth conditions. PMID:12171653

  17. Coping with the cold: the cold shock response in the Gram-positive soil bacterium Bacillus subtilis.

    PubMed

    Weber, Michael H W; Marahiel, Mohamed A

    2002-07-29

    All organisms examined to date, respond to a sudden change in environmental temperature with a specific cascade of adaptation reactions that, in some cases, have been identified and monitored at the molecular level. According to the type of temperature change, this response has been termed heat shock response (HSR) or cold shock response (CSR). During the HSR, a specialized sigma factor has been shown to play a central regulatory role in controlling expression of genes predominantly required to cope with heat-induced alteration of protein conformation. In contrast, after cold shock, nucleic acid structure and proteins interacting with the biological information molecules DNA and RNA appear to play a major cellular role. Currently, no cold-specific sigma factor has been identified. Therefore, unlike the HSR, the CSR appears to be organized as a complex stimulon rather than resembling a regulon. This review has been designed to draw a refined picture of our current understanding of the CSR in Bacillus subtilis. Important processes such as temperature sensing, membrane adaptation, modification of the translation apparatus, as well as nucleoid reorganization and some metabolic aspects, are discussed in brief. Special emphasis is placed on recent findings concerning the nucleic acid binding cold shock proteins, which play a fundamental role, not only during cold shock adaptation but also under optimal growth conditions.

  18. Extensive Variation in Fried Chip Color and Tuber Composition in Cold-Stored Tubers of Wild Potato (Solanum) Germplasm

    Technology Transfer Automated Retrieval System (TEKTRAN)

    Cold-induced sweetening and browning in the Maillard reaction have driven extensive research in the areas of plant physiology, biochemistry, and food science in Solanum tuberosum. To date, research in these areas excluded wild relatives of potato. This is the first assessment of cold-stored tuber c...

  19. Cold and lonely: does social exclusion literally feel cold?

    PubMed

    Zhong, Chen-Bo; Leonardelli, Geoffrey J

    2008-09-01

    Metaphors such as icy stare depict social exclusion using cold-related concepts; they are not to be taken literally and certainly do not imply reduced temperature. Two experiments, however, revealed that social exclusion literally feels cold. Experiment 1 found that participants who recalled a social exclusion experience gave lower estimates of room temperature than did participants who recalled an inclusion experience. In Experiment 2, social exclusion was directly induced through an on-line virtual interaction, and participants who were excluded reported greater desire for warm food and drink than did participants who were included. These findings are consistent with the embodied view of cognition and support the notion that social perception involves physical and perceptual content. The psychological experience of coldness not only aids understanding of social interaction, but also is an integral part of the experience of social exclusion. PMID:18947346

  20. Evolution of star clusters in a cosmological tidal field

    NASA Astrophysics Data System (ADS)

    Rieder, Steven; Ishiyama, Tomoaki; Langelaan, Paul; Makino, Junichiro; McMillan, Stephen L. W.; Portegies Zwart, Simon

    2013-12-01

    We present a method to couple N-body star cluster simulations to a cosmological tidal field, using AMUSE (Astrophysical Multipurpose Software Environment). We apply this method to star clusters embedded in the CosmoGrid dark matter only Lambda cold dark matter simulation. Our star clusters are born at z = 10 (corresponding to an age of the universe of about 500 Myr) by selecting a dark matter particle and initializing a star cluster with 32 000 stars on its location. We then follow the dynamical evolution of the star cluster within the cosmological environment. We compare the evolution of star clusters in two Milky Way size haloes with a different accretion history. The mass-loss of the star clusters is continuous irrespective of the tidal history of the host halo, but major merger events tend to increase the rate of mass-loss. From the selected two dark matter haloes, the halo that experienced the larger number of mergers tends to drive a smaller mass-loss rate from the embedded star clusters, even though the final masses of both haloes are similar. We identify two families of star clusters: native clusters, which become part of the main halo before its final major merger event, and the immigrant clusters, which are accreted upon or after this event; native clusters tend to evaporate more quickly than immigrant clusters. Accounting for the evolution of the dark matter halo causes immigrant star clusters to retain more mass than when the z = 0 tidal field is taken as a static potential. The reason for this is the weaker tidal field experienced by immigrant star clusters before merging with the larger dark matter halo.

  1. Spectroscopy with cold and ultra-cold neutrons

    NASA Astrophysics Data System (ADS)

    Abele, Hartmut; Jenke, Tobias; Konrad, Gertrud

    2015-05-01

    We present two new types of spectroscopy methods for cold and ultra-cold neutrons. The first method, which uses the R×B drift effect to disperse charged particles in a uniformly curved magnetic field, allows to study neutron β-decay. We aim for a precision on the 10-4 level. The second method that we refer to as gravity resonance spectroscopy (GRS) allows to test Newton's gravity law at short distances. At the level of precision we are able to provide constraints on any possible gravity-like interaction. In particular, limits on dark energy chameleon fields are improved by several orders of magnitude.

  2. Cold air systems: Sleeping giant

    SciTech Connect

    MacCracken, C.D. )

    1994-04-01

    This article describes how cold air systems help owners increase the profits from their buildings by reducing electric costs and improving indoor air quality through lower relative humidity levels. Cold air distribution involves energy savings, cost savings, space savings, greater comfort, cleaner air, thermal storage, tighter ducting, coil redesign, lower relative humidities, retrofitting, and improved indoor air quality (IAQ). It opens a door for architects, engineers, owners, builders, environmentalists, retrofitters, designers, occupants, and manufacturers. Three things have held up cold air's usage: multiple fan-powered boxes that ate up the energy savings of primary fans. Cold air room diffusers that provided inadequate comfort. Condensation from ducts, boxes, and diffusers. Such problems have been largely eliminated through research and development by utilities and manufacturers. New cold air diffusers no longer need fan powered boxes. It has also been found that condensation is not a concern so long as the ducts are located in air conditioned space, such as drop ceilings or central risers, where relative humidity falls quickly during morning startup.

  3. Cold Denaturation Unveiled: Molecular Mechanism of the Asymmetric Unfolding of Yeast Frataxin.

    PubMed

    Sanfelice, Domenico; Morandi, Edoardo; Pastore, Annalisa; Niccolai, Neri; Temussi, Piero Andrea

    2015-12-01

    What is the mechanism that determines the denaturation of proteins at low temperatures, which is, by now, recognized as a fundamental property of all proteins? We present experimental evidence that clarifies the role of specific interactions that favor the entrance of water into the hydrophobic core, a mechanism originally proposed by Privalov but never proved experimentally. By using a combination of molecular dynamics simulation, molecular biology, and biophysics, we identified a cluster of negatively charged residues that represents a preferential gate for the entrance of water molecules into the core. Even single-residue mutations in this cluster, from acidic to neutral residues, affect cold denaturation much more than heat denaturation, suppressing cold denaturation at temperatures above zero degrees. The molecular mechanism of the cold denaturation of yeast frataxin is intrinsically different from that of heat denaturation.

  4. PREFACE: Nuclear Cluster Conference; Cluster'07

    NASA Astrophysics Data System (ADS)

    Freer, Martin

    2008-05-01

    The Cluster Conference is a long-running conference series dating back to the 1960's, the first being initiated by Wildermuth in Bochum, Germany, in 1969. The most recent meeting was held in Nara, Japan, in 2003, and in 2007 the 9th Cluster Conference was held in Stratford-upon-Avon, UK. As the name suggests the town of Stratford lies upon the River Avon, and shortly before the conference, due to unprecedented rainfall in the area (approximately 10 cm within half a day), lay in the River Avon! Stratford is the birthplace of the `Bard of Avon' William Shakespeare, and this formed an intriguing conference backdrop. The meeting was attended by some 90 delegates and the programme contained 65 70 oral presentations, and was opened by a historical perspective presented by Professor Brink (Oxford) and closed by Professor Horiuchi (RCNP) with an overview of the conference and future perspectives. In between, the conference covered aspects of clustering in exotic nuclei (both neutron and proton-rich), molecular structures in which valence neutrons are exchanged between cluster cores, condensates in nuclei, neutron-clusters, superheavy nuclei, clusters in nuclear astrophysical processes and exotic cluster decays such as 2p and ternary cluster decay. The field of nuclear clustering has become strongly influenced by the physics of radioactive beam facilities (reflected in the programme), and by the excitement that clustering may have an important impact on the structure of nuclei at the neutron drip-line. It was clear that since Nara the field had progressed substantially and that new themes had emerged and others had crystallized. Two particular topics resonated strongly condensates and nuclear molecules. These topics are thus likely to be central in the next cluster conference which will be held in 2011 in the Hungarian city of Debrechen. Martin Freer Participants and Cluster'07

  5. Incorporating Cold Cap Behavior in a Joule-heated Waste Glass Melter Model

    SciTech Connect

    Varija Agarwal; Donna Post Guillen

    2013-08-01

    In this paper, an overview of Joule-heated waste glass melters used in the vitrification of high level waste (HLW) is presented, with a focus on the cold cap region. This region, in which feed-to-glass conversion reactions occur, is critical in determining the melting properties of any given glass melter. An existing 1D computer model of the cold cap, implemented in MATLAB, is described in detail. This model is a standalone model that calculates cold cap properties based on boundary conditions at the top and bottom of the cold cap. Efforts to couple this cold cap model with a 3D STAR-CCM+ model of a Joule-heated melter are then described. The coupling is being implemented in ModelCenter, a software integration tool. The ultimate goal of this model is to guide the specification of melter parameters that optimize glass quality and production rate.

  6. OT2_baltieri_5: Star formation in proto-clusters

    NASA Astrophysics Data System (ADS)

    Altieri, B.

    2011-09-01

    Massive clusters of galaxies have been found to date from as early as 3-4 billion years after the Big Bang. Cosmological simulations using the current cold dark matter model predict that these systems should descend from 'proto-clusters' - early overdensities of massive galaxies that merge hierarchically to form a cluster. These protocluster regions themselves are built up hierarchically and so are expected to contain extremely massive galaxies, progenitors of the quiescent behemoths observed in cores of the present day massive galaxy clusters. Observational evidence for this picture, however, is sparse because high-redshift proto-clusters are rare and difficult to observe. Here we propose to probe with Herschel SPIRE the very beginning of the cluster and massive galaxies formation process by observing 5 proto-clusters at 3cluster galaxies with those of field galaxies at similar redshift. Determining whether cluster galaxies differ from field galaxies when the proto-cluster was still forming, tells us whether any of the difference observed today is driven by nature as apposed to nurture.

  7. Reaction of the C{sub 3}(X{sup 1}Σ{sub g}{sup +}) carbon cluster with H{sub 2}S(X{sup 1}A{sub 1}), hydrogen sulfide: Photon-induced formation of C{sub 3}S, tricarbon sulfur

    SciTech Connect

    Roehr, Nathan P.; Szczepanski, Jan; Fu, Yi; Polfer, Nicolas C.; Vala, Martin

    2014-11-28

    In this paper we report on the neutral-neutral reaction of the C{sub 3} carbon cluster with H{sub 2}S in solid inert argon at 12 K, conditions that mimic, in part, the surfaces of interstellar grains. In the first step of the reaction, a C{sub 3}•H{sub 2}S complex is formed via an almost barrierless entrance addition mechanism. This complex, stabilized by an estimated 7.45 kJ/mol (CCSD(T)/aug-cc-pVTZ//B3LYP/6-311++G(d,p) level), is formed by the interaction of a terminal carbon of C{sub 3} with a hydrogen in H{sub 2}S. This con-covalent complex displays a band at 2044.1 cm{sup −1} observed via Fourier transform infrared absorption spectroscopy. With the help of the MP2/aug-ccpVDZ level method, this band is assigned to the CC asymmetric vibration mode. When the complex is exposed to UV-visible photons (hν < 5.5 eV) the tricarbon sulfur C{sub 3}S molecule is identified, based on the appearance of a characteristic CC stretching band at 2047.5 cm{sup −1}. Calculated ground-state potential energy surfaces also confirm the concomitant formation of molecular H{sub 2}. This facile reaction pathway involves an attainable transition state of 174.4 kJ/mol. Conversely, competing lower-energy reaction pathways that would lead to the generation of H{sub 2}C{sub 3}S (propadienethione), or C{sub 2}H{sub 2} (acetylene) and CS, involve much more complex, multi-stage pathways, and are not observed experimentally.

  8. In honour of N. Yngve Öhrn: surveying proton cancer therapy reactions with Öhrn's electron nuclear dynamics method. Aqueous clusters radiolysis and DNA-base damage by proton collisions

    NASA Astrophysics Data System (ADS)

    Mclaurin, Patrick M.; Privett, Austin J.; Stopera, Christopher; Grimes, Thomas V.; Perera, Ajith; Morales, Jorge A.

    2015-02-01

    Proton cancer therapy (PCT) utilises high-energy H+ projectiles to cure cancer. PCT healing arises from its DNA damage in cancerous cells, which is mostly inflicted by the products from PCT water radiolysis reactions. While clinically established, a complete microscopic understanding of PCT remains elusive. To help in the microscopic elucidation of PCT, Professor Öhrn's simplest-level electron nuclear dynamics (SLEND) method is herein applied to H+ + (H2O)3-4 and H+ + DNA-bases at ELab = 1.0 keV. These are two types of computationally feasible prototypes to study water radiolysis reactions and H+-induced DNA damage, respectively. SLEND is a time-dependent, variational, non-adiabatic and direct-dynamics method that adopts a nuclear classical-mechanics description and an electronic single-determinantal wavefunction. Additionally, our SLEND + effective-core-potential method is herein employed to simulate some computationally demanding PCT reactions. Due to these attributes, SLEND proves appropriate for the simulation of various types of PCT reactions accurately and feasibly. H+ + (H2O)3-4 simulations reveal two main processes: H+ projectile scattering and the simultaneous formation of H and OH fragments; the latter process is quantified through total integrals cross sections. H+ + DNA-base simulations reveal atoms and groups displacements, ring openings and base-to-proton electron transfers as predominant damage processes. The authors warmly dedicate this SLEND investigation in honour of Professor N. Yngve Öhrn on the occasion of his 80th birthday celebration during the 54th Sanibel Symposium in St. Simons' Island, Georgia, on February 16-21, 2014. Associate Professor Jorge A. Morales was a former chemistry PhD student under the mentorship of Professor Öhrn and Dr Ajith Perera took various quantum chemistry courses taught by Professor Öhrn during his chemistry PhD studies. Both Jorge and Ajith look back to those great times of their scientific formation under

  9. Cold welded laser mirror assembly

    SciTech Connect

    Chaffee, E.G.

    1989-02-07

    A gas laser apparatus is described comprising: (a) a gas laser tube having a bore extending between cathode and anode ends; (b) the laser tube terminating at each end with a bellows assembly operative to extend the length of the tube bore; (c) each bellows assembly comprising: (i) an adjustably positionable metal bellows secured to a selected end of the tube; (ii) a tubular pedestal secured at one end to the bellows to form an extension thereof and at the opposite end providing a mirror mount surface; (iii) a mirror secured to the surface; (iv) a cold weld material located between the mirror and mirror mount surface; and (v) retaining means secured to the pedestal encasing the outer portion of the mirror and operative to apply pressure to the cold weld material to establish a cold weld seal between the mirror and mirror mount surface to retain the mirror on and prevent shifting of the mirror with respect to the mirror mount surface.

  10. COLD-SAT dynamic model

    NASA Technical Reports Server (NTRS)

    Adams, Neil S.; Bollenbacher, Gary

    1992-01-01

    This report discusses the development and underlying mathematics of a rigid-body computer model of a proposed cryogenic on-orbit liquid depot storage, acquisition, and transfer spacecraft (COLD-SAT). This model, referred to in this report as the COLD-SAT dynamic model, consists of both a trajectory model and an attitudinal model. All disturbance forces and torques expected to be significant for the actual COLD-SAT spacecraft are modeled to the required degree of accuracy. Control and experimental thrusters are modeled, as well as fluid slosh. The model also computes microgravity disturbance accelerations at any specified point in the spacecraft. The model was developed by using the Boeing EASY5 dynamic analysis package and will run on Apollo, Cray, and other computing platforms.

  11. The effect of the dynamical state of clusters on gas expulsion and infant mortality

    NASA Astrophysics Data System (ADS)

    Goodwin, Simon P.

    2009-12-01

    The star-formation efficiency (SFE) of a star cluster is thought to be the critical factor in determining if the cluster can survive for a significant (>50 Myr) time. There is an often quoted critical SFE of ˜30% for a cluster to survive gas expulsion. I reiterate that the SFE is not the critical factor; rather, it is the dynamical state of the stars (as measured by their virial ratio) immediately before gas expulsion. If the stars in a star cluster are born in an (even slightly) cold dynamical state, then the survivability of a cluster can be greatly increased.

  12. Antihydrogen Formation using Cold Plasmas

    SciTech Connect

    Madsen, N.; Bowe, P.D.; Hangst, J.S.; Amoretti, M.; Carraro, C.; Macri, M.; Testera, G.; Variola, A.; Amsler, C.; Johnson, I.; Pruys, H.; Regenfus, C.; Bonomi, G.; Bouchta, A.; Doser, M.; Kellerbauer, A.; Landua, R.; Cesar, C.L.; Charlton, M.; Joergensen, L.V.

    2004-10-20

    Antihydrogen, the antimatter counterpart of the hydrogen atom, can be formed by mixing cold samples of antiprotons and positrons. In 2002 the ATHENA collaboration succeeded in the first production of cold antihydrogen. By observing and imaging the annihilation products of the neutral, non-confined, antihydrogen atoms annihilating on the walls of the trap we can observe the production in quasi-real-time and study the dynamics of the formation mechanism. The formation mechanism strongly influences the final state of the formed antihydrogen atoms, important for future spectroscopic comparison with hydrogen. This paper briefly summarizes the current understanding of the antihydrogen formation in ATHENA.

  13. Changes in Arctic warm and cold spell occurrence during winter and summer

    NASA Astrophysics Data System (ADS)

    Matthes, Heidrun; Rinke, Annette; Dethloff, Klaus

    2016-04-01

    clustering of the underlying extremes (eg the number of cold nights stays the same with time, but they occur separately instead of in a spell). Trends in cold nights for winter suggest that the occurring changes in cold spells are associated with the changes in cold nights. In summer this is mostly true as well with an exception of the Lena River Basin, where cold nights decrease while cold spells at the same locations increase. For warm spells, the observed changes seem to be associated with changes in warm daytimes in both seasons for all regions.

  14. Survey on granularity clustering.

    PubMed

    Ding, Shifei; Du, Mingjing; Zhu, Hong

    2015-12-01

    With the rapid development of uncertain artificial intelligent and the arrival of big data era, conventional clustering analysis and granular computing fail to satisfy the requirements of intelligent information processing in this new case. There is the essential relationship between granular computing and clustering analysis, so some researchers try to combine granular computing with clustering analysis. In the idea of granularity, the researchers expand the researches in clustering analysis and look for the best clustering results with the help of the basic theories and methods of granular computing. Granularity clustering method which is proposed and studied has attracted more and more attention. This paper firstly summarizes the background of granularity clustering and the intrinsic connection between granular computing and clustering analysis, and then mainly reviews the research status and various methods of granularity clustering. Finally, we analyze existing problem and propose further research.

  15. Cluster automorphism groups of cluster algebras with coefficients

    NASA Astrophysics Data System (ADS)

    Chang, Wen; Zhu, Bin

    2016-10-01

    We study the cluster automorphism group of a skew-symmetric cluster algebra with geometric coefficients. For this, we introduce the notion of gluing free cluster algebra, and show that under a weak condition the cluster automorphism group of a gluing free cluster algebra is a subgroup of the cluster automorphism group of its principal part cluster algebra (i.e. the corresponding cluster algebra without coefficients). We show that several classes of cluster algebras with coefficients are gluing free, for example, cluster algebras with principal coefficients, cluster algebras with universal geometric coefficients, and cluster algebras from surfaces (except a 4-gon) with coefficients from boundaries. Moreover, except four kinds of surfaces, the cluster automorphism group of a cluster algebra from a surface with coefficients from boundaries is isomorphic to the cluster automorphism group of its principal part cluster algebra; for a cluster algebra with principal coefficients, its cluster automorphism group is isomorphic to the automorphism group of its initial quiver.

  16. Galaxy clustering on large scales.

    PubMed

    Efstathiou, G

    1993-06-01

    I describe some recent observations of large-scale structure in the galaxy distribution. The best constraints come from two-dimensional galaxy surveys and studies of angular correlation functions. Results from galaxy redshift surveys are much less precise but are consistent with the angular correlations, provided the distortions in mapping between real-space and redshift-space are relatively weak. The galaxy two-point correlation function, rich-cluster two-point correlation function, and galaxy-cluster cross-correlation function are all well described on large scales ( greater, similar 20h-1 Mpc, where the Hubble constant, H0 = 100h km.s-1.Mpc; 1 pc = 3.09 x 10(16) m) by the power spectrum of an initially scale-invariant, adiabatic, cold-dark-matter Universe with Gamma = Omegah approximately 0.2. I discuss how this fits in with the Cosmic Background Explorer (COBE) satellite detection of large-scale anisotropies in the microwave background radiation and other measures of large-scale structure in the Universe.

  17. Dynamic maintenance of stochastic molecular clusters on cell membranes

    NASA Astrophysics Data System (ADS)

    Mugler, Andrew; Wehrens, Martijn; Ten Wolde, Pieter Rein

    2015-03-01

    Clustering of molecules on cell membranes is a widely observed phenomenon. A key example is the oncoprotein Ras. Maintenance of Ras clusters has been linked to proper Ras signaling. Yet, the mechanism by which Ras clusters are maintained remains unclear. Recently it was discovered that activated Ras promotes further Ras activation. We show using particle-based simulation that this positive feedback link is sufficient to produce persistent clusters of active Ras molecules via a dynamic nucleation mechanism. The cluster statistics are consistent with experimental observations. Interestingly, our model does not support a Turing regime of macroscopic reaction-diffusion patterning. This means that the clustering we observe is a purely stochastic effect, arising from the coupling of the positive feedback network with the discrete nature of individual molecules. These findings underscore the importance of stochastic and dynamic properties of reaction diffusion systems for biological behavior.

  18. Avionics Box Cold Plate Damage Prevention

    NASA Technical Reports Server (NTRS)

    Stambolian, Damon B.; Larchar, Steven W.; Henderson, Gena; Tran, Donald; Barth, Tim

    2012-01-01

    Problem Introduction: 1. Prevent Cold Plate Damage in Space Shuttle. 1a. The number of cold plate problems had increased from an average of 16.5 per/year between 1990 through 2000, to an average of 39.6 per year between 2001through 2005. 1b. Each complete set of 80 cold plates cost approximately $29 million, an average of $362,500 per cold plate. 1c It takes four months to produce a single cold plate. 2. Prevent Cold Plate Damage in Future Space Vehicles.

  19. Spatial Separation of Molecular Conformers and Clusters

    PubMed Central

    Horke, Daniel; Trippel, Sebastian; Chang, Yuan-Pin; Stern, Stephan; Mullins, Terry; Kierspel, Thomas; Küpper, Jochen

    2014-01-01

    Gas-phase molecular physics and physical chemistry experiments commonly use supersonic expansions through pulsed valves for the production of cold molecular beams. However, these beams often contain multiple conformers and clusters, even at low rotational temperatures. We present an experimental methodology that allows the spatial separation of these constituent parts of a molecular beam expansion. Using an electric deflector the beam is separated by its mass-to-dipole moment ratio, analogous to a bender or an electric sector mass spectrometer spatially dispersing charged molecules on the basis of their mass-to-charge ratio. This deflector exploits the Stark effect in an inhomogeneous electric field and allows the separation of individual species of polar neutral molecules and clusters. It furthermore allows the selection of the coldest part of a molecular beam, as low-energy rotational quantum states generally experience the largest deflection. Different structural isomers (conformers) of a species can be separated due to the different arrangement of functional groups, which leads to distinct dipole moments. These are exploited by the electrostatic deflector for the production of a conformationally pure sample from a molecular beam. Similarly, specific cluster stoichiometries can be selected, as the mass and dipole moment of a given cluster depends on the degree of solvation around the parent molecule. This allows experiments on specific cluster sizes and structures, enabling the systematic study of solvation of neutral molecules. PMID:24457426

  20. Spatial separation of molecular conformers and clusters.

    PubMed

    Horke, Daniel; Trippel, Sebastian; Chang, Yuan-Pin; Stern, Stephan; Mullins, Terry; Kierspel, Thomas; Küpper, Jochen

    2014-01-09

    Gas-phase molecular physics and physical chemistry experiments commonly use supersonic expansions through pulsed valves for the production of cold molecular beams. However, these beams often contain multiple conformers and clusters, even at low rotational temperatures. We present an experimental methodology that allows the spatial separation of these constituent parts of a molecular beam expansion. Using an electric deflector the beam is separated by its mass-to-dipole moment ratio, analogous to a bender or an electric sector mass spectrometer spatially dispersing charged molecules on the basis of their mass-to-charge ratio. This deflector exploits the Stark effect in an inhomogeneous electric field and allows the separation of individual species of polar neutral molecules and clusters. It furthermore allows the selection of the coldest part of a molecular beam, as low-energy rotational quantum states generally experience the largest deflection. Different structural isomers (conformers) of a species can be separated due to the different arrangement of functional groups, which leads to distinct dipole moments. These are exploited by the electrostatic deflector for the production of a conformationally pure sample from a molecular beam. Similarly, specific cluster stoichiometries can be selected, as the mass and dipole moment of a given cluster depends on the degree of solvation around the parent molecule. This allows experiments on specific cluster sizes and structures, enabling the systematic study of solvation of neutral molecules.