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Sample records for capture dissociation investigated

  1. Electron Capture Dissociation of Weakly Bound Polypeptide Polycationic Complexes

    DEFF Research Database (Denmark)

    Haselmann, Kim F; Jørgensen, Thomas J D; Budnik, Bogdan A;

    2002-01-01

    We have previously reported that, in electron capture dissociation (ECD), rupture of strong intramolecular bonds in weakly bound supramolecular aggregates can proceed without dissociation of weak intermolecular bonds. This is now illustrated on a series of non-specific peptide-peptide dimers as w...

  2. Electron capture dissociation of singly and multiply phosphorylated peptides

    DEFF Research Database (Denmark)

    Stensballe, A; Jensen, Ole Nørregaard; Olsen, J V;

    2000-01-01

    and native phosphopeptides appeared less complex than conventional collision activated dissociation (CAD) mass spectra of these species. ECD of multiply protonated phosphopeptide ions generated mainly c- and z(.)-type peptide fragment ion series. No loss of water, phosphate groups or phosphoric acid from......Analysis of phosphotyrosine and phosphoserine containing peptides by nano-electrospray Fourier transform ion cyclotron resonance (FTICR) mass spectrometry established electron capture dissociation (ECD) as a viable method for phosphopeptide sequencing. In general, ECD spectra of synthetic...... intact phosphopeptide ions nor from the c and z(.) fragment ion products was observed in the ECD spectra. ECD enabled complete or near-complete amino acid sequencing of phosphopeptides for the assignment of up to four phosphorylation sites in peptides in the mass range 1400 to 3500 Da. Nano-scale Fe...

  3. Collision-induced dissociation and dissociative capture of H2+ in Ar and Kr

    International Nuclear Information System (INIS)

    Measurements of the absolute total and differential cross sections for the production of protons and hydrogen atoms in the energy range of 1-5 keV for reactions of H2+ molecular ions in Ar and Kr targets are reported. The results show that the cross section for the dissociative capture (DC) proccess is about one order of magnitude higher than that for the collision-induced dissociation. The angular distribution of the fragments in both targets and for all acceleration energies shows a monotonic decrease in the differential cross section with increasing angle. A sharp increase in the angular distribution at scattering angles <1.6 deg. is observed for hydrogen atoms resulting from DC and in particular for the Kr target

  4. Electron capture dissociation proceeds with a low degree of intramolecular migration of peptide amide hydrogens

    DEFF Research Database (Denmark)

    Rand, Kasper D; Adams, Christopher M; Zubarev, Roman A;

    2008-01-01

    Hydrogen (1H/2H) exchange combined with mass spectrometry (HX-MS) has become a recognized method for the analysis of protein structural dynamics. Presently, the incorporated deuterons are typically localized by enzymatic cleavage of the labeled proteins and single residue resolution is normally...... scrambling) that occurs during vibrational excitation of gas-phase ions. Unlike traditional collisional ion activation, electron capture dissociation (ECD) is not associated with substantial vibrational excitation. We investigated the extent of intramolecular backbone amide hydrogen (1H/2H) migration upon...... in the electrospray ion source by, e.g., high declustering potentials or during precursor ion selection (via sideband excitation) in the external linear quadrupole ion trap undergo nearly complete hydrogen (1H/2H) scrambling. Similarly, collision-induced dissociation (CID) in the external linear quadrupole ion trap...

  5. Theory and Application of Dissociative Electron Capture in Molecular Identification

    CERN Document Server

    Havey, C D; Jones, T; Voorhees, K J; Laramee, J A; Cody, R B; Clougherty, D P; Eberhart, Mark; Voorhees, Kent J.; Laramee, James A.; Cody, Robert B.; Clougherty, Dennis P.

    2006-01-01

    The coupling of an electron monochromator (EM) to a mass spectrometer (MS) has created a new analytical technique, EM-MS, for the investigation of electrophilic compounds. This method provides a powerful tool for molecular identification of compounds contained in complex matrices, such as environmental samples. EM-MS expands the application and selectivity of traditional MS through the inclusion of a new dimension in the space of molecular characteristics--the electron resonance energy spectrum. However, before this tool can realize its full potential, it will be necessary to create a library of resonance energy scans from standards of the molecules for which EM-MS offers a practical means of detection. Here, an approach supplementing direct measurement with chemical inference and quantum scattering theory is presented to demonstrate the feasibility of directly calculating resonance energy spectra. This approach makes use of the symmetry of the transition-matrix element of the captured electron to discriminat...

  6. Dipole-Guided Electron Capture Causes Abnormal Dissociations of Phosphorylated Pentapeptides

    DEFF Research Database (Denmark)

    Moss, Christopher L.; Chung, Thomas W.; Wyer, Jean;

    2011-01-01

    Abstract Electron transfer and capture mass spectra of a series of doubly charged ions that were phosphorylated pentapeptides of a tryptic type (pS,A,A,A,R) showed conspicuous differences in dissociations of charge-reduced ions. Electron transfer from both gaseous cesium atoms at 100 keV kinetic ...... their dissociations. Key words: Electron transfer dissociation, Electron capture dissociation, Phosphopeptides, Sequence ions, Dipole effects, Ion structures, Molecular dynamics calculations, Ab initio calculations...... energies and fluoranthene anion radicals in an ion trap resulted in the loss of a hydrogen atom, ammonia, and backbone cleavages forming complete series of sequence z ions. Elimination of phosphoric acid was negligible. In contrast, capture of lowenergy electrons by doubly charged ions in a Penning ion...

  7. The relationship between catatonia and dissociation: A preliminary investigation.

    Science.gov (United States)

    Ross, Colin A; Browning, Elena

    2016-01-01

    Unlike the relationship between dissociation and Schneiderian first-rank symptoms, the relationship between dissociation and catatonia has not been investigated empirically. In order to gather some initial data about catatonia, dissociation, and childhood adverse experiences, we administered the Bush-Francis Catatonia Scale (BFCS), the Dissociative Experiences Scale (DES), the Adverse Childhood Experiences Questionnaire, and the Dissociative Disorders Interview Schedule to 100 inpatients in a hospital trauma program. The average DES score was 44.1 (SD = 22.4), and 86 participants were in the DES-Taxon. The average score on the BFCS was 7.7 (SD = 10.3); 81 participants scored 2 or higher, and 67 scored 5 or higher. The results showed that, in this sample, catatonic symptoms are frequent and related to adverse childhood experiences but seem to be a separate symptom category from both dissociation and psychosis. PMID:26751346

  8. The role of dissociative electron capture in collisions of slow He2+ ions with CO

    International Nuclear Information System (INIS)

    Translational energy spectroscopy (TES) has been used to study one-electron capture by 0.2-1 keV amu-1 He2+ ions in CO and identify, for the first time, the main excited product channels and determine cross sections for both dissociative and non-dissociative processes. Cross sections are shown to be strongly energy dependent over the energy range considered with the contribution from exothermic dissociative electron capture channels associated with He+(1s) formation accounting for about 99% of the total cross section at the lowest energy considered. Endothermic channels arising from non-dissociative one-electron capture have been observed which increase in relative importance as the impact energy increases. These lead to either He+(n=2) or He+(n=3) formation and various states of CO+ with some evidence of vibrational excitation. Of these, the He+(n=2)+CO+[X2Σ+] product channel (with an energy defect ΔE=-0.42 eV) is dominant and this accounts for about 40% of the total cross section at 1 keV amu-1. (author)

  9. Hydrogen rearrangement to and from radical z fragments in electron capture dissociation of peptides

    DEFF Research Database (Denmark)

    Savitski, Mikhail M; Kjeldsen, Frank; Nielsen, Michael L;

    2007-01-01

    capture dissociation (ECD), including previously unreported double H. losses. Consistent with the radical character of H. abstraction, the residue determining the formation rate of z' = z. + H. species is found to be the N-terminal residue in z. species. The size of the complementary c(m)' fragment turned...... out to be another important factor, with z' species dominating over z. ions for m carbon groups of residues composing the c' species, with Gln and His in the c' fragment promoting H. donation and Asp and Ala...

  10. Capture cross-section and rate of the 14C(, )15C reaction from the Coulomb dissociation of 15C

    Indian Academy of Sciences (India)

    Shubhchintak; Neelam; R Chatterjee

    2014-10-01

    We calculate the Coulomb dissociation of 15C on a Pb target at 68 MeV/u incident beam energy within the fully quantum mechanical distorted wave Born approximation formalism of breakup reactions. The capture cross-section and the subsequent rate of the 14C(, )15C reaction are calculated from the photodisintegration of 15C, using the principle of detailed balance. Our theoretical model is free from the uncertainties associated with the multipole strength distributions of the projectile.

  11. Valence parity to distinguish c' and z• ions from electron capture dissociation/electron transfer dissociation of peptides: effects of isomers, isobars, and proteolysis specificity.

    Science.gov (United States)

    Mao, Yuan; Tipton, Jeremiah D; Blakney, Greg T; Hendrickson, Christopher L; Marshall, Alan G

    2011-10-15

    Valence parity provides a way to distinguish between N-terminal and C-terminal electron capture dissociation/electron transfer dissociation (ECD/ETD) product ions based on their number of hydrogen plus nitrogen atoms determined by accurate mass measurement and forms a basis for de novo peptide sequencing. The effect of mass accuracy (0.1-1 ppm error) on c'/z(•) overlap and unique elemental composition overlap is evaluated for a database of c'/z(•) product ions each based on all possible amino acid combinations and four subset databases containing the same c' ions but with z(•) ions determined by in silico digestion with trypsin, Glu-C, Lys-C, or chymotrypsin. High mass accuracy reduces both c'/z(•) overlap and unique elemental composition overlap. Of the four proteases, trypsin offers slightly better discrimination between N- and C-terminal ECD/ETD peptides. Interestingly, unique elemental composition overlap curves for c'/c' and z(•)/z(•) peptide ions exhibit discontinuities at certain nominal masses for 0.1-1.0 ppm mass error. Also, as noted in the companion article (Polfer et al. Anal. Chem.2011, DOI: 10.1021/ac201624t), the number of ECD/ETD product ion amino acid compositions as a function of nominal mass increases exponentially with mass but with a superimposed modulation due to higher prevalence of certain elemental compositions.

  12. Reply to comments on `Structure effects in the $^{15}$N($n,\\gamma$)$^{16}$N radiative capture reaction from the Coulomb dissociation of $^{16}$N'

    CERN Document Server

    Shubhchintak,; Chatterjee, R

    2016-01-01

    We reply to the comments (arXiv:1605.07499 [nucl-th]) on "Structure effects in the $^{15}$N($n,\\gamma$)$^{16}$N radiative capture reaction from the Coulomb dissociation of $^{16}$N". We have investigated the issue of "energy dependence of branching ratios" and believe that this energy dependence is due to the proper inclusion of the non-resonant continuum in the post-form reaction theory. Interestingly, this energy dependence is sensitive to the relative orbital angular momentum content of the state. We reiterate that we have attempted to resolve the discrepancy in the spectroscopic factors of low-lying $^{16}$N levels and that it is essential to know the low energy $^{15}$N($n,\\gamma$)$^{16}$N capture cross section, especially below 0.25 MeV.

  13. Atypical behavior in the electron capture induced dissociation of biologically relevant transition metal ion complexes of the peptide hormone oxytocin

    Science.gov (United States)

    Kleinnijenhuis, Anne J.; Mihalca, Romulus; Heeren, Ron M. A.; Heck, Albert J. R.

    2006-07-01

    Doubly protonated ions of the disulfide bond containing nonapeptide hormone oxytocin and oxytocin complexes with different transition metal ions, that have biological relevance under physiological conditions, were subjected to electron capture dissociation (ECD) to probe their structural features in the gas phase. Although, all the ECD spectra were strikingly different, typical ECD behavior was observed for complexes of the nonapeptide hormone oxytocin with Ni2+, Co2+ and Zn2+, i.e., abundant c/z' and a'/y backbone cleavages and ECD characteristic S-S and S-C bond cleavages were observed. We propose that, although in the oxytocin-transition metal ion complexes the metal ions serve as the main initial capture site, the captured electron is transferred to other sites in the complex to form a hydrogen radical, which drives the subsequent typical ECD fragmentations. The complex of oxytocin with Cu2+ displayed noticeably different ECD behavior. The fragment ions were similar to fragment ions typically observed with low-energy collision induced dissociation (CID). We propose that the electrons captured by the oxytocin-Cu2+ complex might be favorably involved in reducing the Cu2+ metal ion to Cu+. Subsequent energy redistribution would explain the observed low-energy CID-type fragmentations. Electron capture resulted also in quite different specific cleavage sites for the complexes of oxytocin with Ni2+, Co2+ and Zn2+. This is an indication for structural differences in these complexes possibly linked to their significantly different biological effects on oxytocin-receptor binding, and suggests that ECD may be used to study subtle structural differences in transition metal ion-peptide complexes.

  14. Semiempirical and DFT Investigations of the Dissociation of Alkyl Halides

    Science.gov (United States)

    Waas, Jack R.

    2006-01-01

    Enthalpy changes corresponding to the gas phase heats of dissociation of 12 organic halides were calculated using two semiempirical methods, the Hartree-Fock method, and two DFT methods. These calculated values were compared to experimental values where possible. All five methods agreed generally with the expected empirically known trends in the…

  15. HE-2+-H2 COLLISIONS - NONDISSOCIATIVE AND DISSOCIATIVE ONE-ELECTRON CAPTURE

    NARCIS (Netherlands)

    HOEKSTRA, R; FOLKERTS, HO; BEIJERS, JPM; MORGENSTERN, R; DEHEER, FJ

    1994-01-01

    Electron-redistribution processes in collisions of He-2+ ions on H-2 are studied for energies from 1 to 25 keV amu-1. One-electron capture and target excitation cross sections are determined by photon-emission spectroscopy. At energies exceeding approximately 5 keV amu-1 capture into excited states

  16. DNA hybridization on microparticles: determining capture-probe density and equilibrium dissociation constants.

    OpenAIRE

    Wilkins Stevens, P; Henry, M. R.; Kelso, D M

    1999-01-01

    Many DNA-probe assays utilize oligonucleotide-coated microparticles for capture of complementary nucleic acids from solution. During development of these assays, as well as in other particle-based nucleic acid applications, it is useful to know both the amount of duplex formation expected under various experimental conditions and the coating density of the capture oligonucleotide on the particle surface. We examined the simplest form of a DNA-probe microparticle assay: hybridization of a part...

  17. Structure effects in the 15N(n ,γ )16N radiative capture reaction from the Coulomb dissociation of 16N

    Science.gov (United States)

    Neelam, Shubhchintak, Chatterjee, R.

    2015-10-01

    Background: The 15N(n ,γ )16N reaction plays an important role in red giant stars and also in inhomogeneous big bang nucleosynthesis. However, there are controversies regarding spectroscopic factors of the four low-lying states of 16N, which have direct bearing on the total direct capture cross section and also on the reaction rate. Direct measurements of the capture cross section at low energies are scarce and available only at three energies below 500 keV. Purpose: The aim of this paper is to calculate the 15N(n ,γ )16N radiative capture cross section and its subsequent reaction rate by an indirect method and in that process investigate the effects of spectroscopic factors of different levels of 16N to the cross section. Method: A fully quantum mechanical Coulomb breakup theory under the aegis of post-form distorted wave Born approximation is used to calculate the Coulomb breakup of 16N on Pb at 100 MeV/u . This is then related to the photodisintegration cross section of 16N(γ ,n )15N and subsequently invoking the principle of detailed balance, the 15N(n ,γ )16N capture cross section is calculated. Results: The nonresonant capture cross section is calculated with spectroscopic factors from the shell model and those extracted (including uncertainties) from two recent experiments. The data seem to favor a more single particle nature for the low-lying states of 16N. The total neutron capture rate is also calculated by summing up nonresonant and resonant (significant only at temperatures greater than 1 GK) contributions and comparison is made with other charged particle capture rates. In the typical temperature range of 0.1 -1.2 GK, almost all the contributions to the reaction rate come from capture cross sections below 0.25 MeV. Conclusion: We have attempted to resolve the discrepancy in the spectroscopic factors of low-lying 16N levels and conclude that it would certainly be useful to perform a Coulomb dissociation experiment to find the low energy capture

  18. Electron Capture Dissociation of Sodium-Adducted Peptides on a Modified Quadrupole/Time-of-Flight Mass Spectrometer

    Science.gov (United States)

    Voinov, Valery G.; Hoffman, Peter D.; Bennett, Samuel E.; Beckman, Joseph S.; Barofsky, Douglas F.

    2015-12-01

    Electron capture dissociation (ECD), which generally preserves the position of labile post-translational modifications, can be a powerful method for de novo sequencing of proteins and peptides. In this report, ECD product-ion mass spectra of singly and doubly sodiated, nonphosphorylated, and phosphorylated peptides are presented and compared with the ECD mass spectra of their protonated counterparts. ECD of doubly charged, singly sodiated peptides yielded essentially the same sequence information as was produced by the corresponding doubly protonated peptides. The presence of several sodium binding sites on the polypeptide backbone, however, resulted in more complicated spectra. This situation is aggravated by the zwitterionic equilibrium of the free acid peptide precursors. The product-ion spectra of doubly and triply charged peptides possessing two sodium ions were further complicated by the existence of isomers created by the differential distribution of sodium binding sites. Triply charged, phosphorylated precursors containing one sodium, wherein the sodium is attached exclusively to the PO4 group, were found to be as useful for sequence analysis as the fully protonated species. Although sodium adducts are generally minimized during sample preparation, it appears that they can nonetheless provide useful sequence information. Additionally, they enable straightforward identification of a peptide's charge state, even on low-resolution instruments. The experiments were carried out using a radio frequency-free electromagnetostatic cell retrofitted into the collision-induced dissociation (CID) section of a hybrid quadrupole/time-of-flight tandem mass spectrometer.

  19. Mapping a Noncovalent Protein-Peptide Interface by Top-Down FTICR Mass Spectrometry Using Electron Capture Dissociation

    Science.gov (United States)

    Clarke, David J.; Murray, Euan; Hupp, Ted; Mackay, C. Logan; Langridge-Smith, Pat R. R.

    2011-08-01

    Noncovalent protein-ligand and protein-protein complexes are readily detected using electrospray ionization mass spectrometry (ESI MS). Furthermore, recent reports have demonstrated that careful use of electron capture dissociation (ECD) fragmentation allows covalent backbone bonds of protein complexes to be dissociated without disruption of noncovalent protein-ligand interactions. In this way the site of protein-ligand interfaces can be identified. To date, protein-ligand complexes, which have proven tractable to this technique, have been mediated by ionic electrostatic interactions, i.e., ion pair interactions or salt bridging. Here we extend this methodology by applying ECD to study a protein-peptide complex that contains no electrostatics interactions. We analyzed the complex between the 21 kDa p53-inhibitor protein anterior gradient-2 and its hexapeptide binding ligand (PTTIYY). ECD fragmentation of the 1:1 complex occurs with retention of protein-peptide binding and analysis of the resulting fragments allows the binding interface to be localized to a C-terminal region between residues 109 and 175. These finding are supported by a solution-phase competition assay, which implicates the region between residues 108 and 122 within AGR2 as the PTTIYY binding interface. Our study expands previous findings by demonstrating that top-down ECD mass spectrometry can be used to determine directly the sites of peptide-protein interfaces. This highlights the growing potential of using ECD and related top-down fragmentation techniques for interrogation of protein-protein interfaces.

  20. Determining the Binding Sites of β-Cyclodextrin and Peptides by Electron-Capture Dissociation High Resolution Tandem Mass Spectrometry

    Science.gov (United States)

    Qi, Yulin; Geib, Timon; Volmer, Dietrich A.

    2015-07-01

    Cyclodextrins (CDs) are a group of cyclic oligosaccharides, which readily form inclusion complexes with hydrophobic compounds to increase bioavailability, thus making CDs ideal drug excipients. Recent studies have also shown that CDs exhibit a wide range of protective effects, preventing proteins from aggregation, degradation, and folding. These effects strongly depend on the binding sites on the protein surface. CDs only exhibit weak interactions with amino acids, however; conventional analytical techniques therefore usually fail to reveal the exact location of the binding sites. Moreover, some studies even suggest that CD inclusion complexes are merely electrostatic adducts. Here, electron capture dissociation (ECD) was applied in this proof-of-concept study to examine the exact nature of the CD/peptide complexes, and CD binding sites were unambiguously located for the first time via Fourier-transform ion cyclotron resonance (FTICR) tandem mass spectrometry.

  1. Comment on "Structure effects in the $^{15}$N(n,$\\gamma$)$^{16}$N radiative capture reaction from the Coulomb dissociation of $^{16}$N"

    CERN Document Server

    Mohr, Peter

    2016-01-01

    In their recent study Neelam, Shubhchintak, and Chatterjee have claimed that "it would certainly be useful to perform a Coulomb dissociation experiment to find the low energy capture cross section for the reaction" $^{15}$N(n,$\\gamma$)$^{16}$N. However, it is obvious that a Coulomb dissociation experiment cannot constrain this capture cross section because the dominating branchings of the capture reaction lead to excited states in $^{16}$N which do not contribute in a Coulomb dissociation experiment. An estimate of the total $^{15}$N(n,$\\gamma$)$^{16}$N cross section from Coulomb dissociation of $^{16}$N requires a precise knowledge of the $\\gamma$-ray branchings in the capture reaction. Surprisingly, the calculation of Neelam, Shubhchintak, and Chatterjee predicts a strongly energy-dependent ground state branching of the order of 0.05\\% to 0.6\\% at energies between 100 and 500 keV which is almost 2 orders of magnitude below calculations in the direct capture model. Additionally, this calculation of Neelam, S...

  2. Difference of Electron Capture and Transfer Dissociation Mass Spectrometry on Ni2+-, Cu2+-, and Zn2+-Polyhistidine Complexes in the Absence of Remote Protons

    Science.gov (United States)

    Asakawa, Daiki; De Pauw, Edwin

    2016-07-01

    Electron capture dissociation (ECD) and electron transfer dissociation (ETD) in metal-peptide complexes are dependent on the metal cation in the complex. The divalent transition metals Ni2+, Cu2+, and Zn2+ were used as charge carriers to produce metal-polyhistidine complexes in the absence of remote protons, since these metal cations strongly bind to neutral histidine residues in peptides. In the case of the ECD and ETD of Cu2+-polyhistidine complexes, the metal cation in the complex was reduced and the recombination energy was redistributed throughout the peptide to lead a zwitterionic peptide form having a protonated histidine residue and a deprotonated amide nitrogen. The zwitterion then underwent peptide bond cleavage, producing a and b fragment ions. In contrast, ECD and ETD induced different fragmentation processes in Zn2+-polyhistidine complexes. Although the N-Cα bond in the Zn2+-polyhistidine complex was cleaved by ETD, ECD of Zn2+-polyhistidine induced peptide bond cleavage accompanied with hydrogen atom release. The different fragmentation modes by ECD and ETD originated from the different electronic states of the charge-reduced complexes resulting from these processes. The details of the fragmentation processes were investigated by density functional theory.

  3. Complete characterization of posttranslational modification sites in the bovine milk protein PP3 by tandem mass spectrometry with electron capture dissociation as the last stage

    DEFF Research Database (Denmark)

    Kjeldsen, Frank; Haselmann, Kim F; Budnik, Bogdan A;

    2003-01-01

    capture dissociation (ECD) of peptide ions provides protein identification. When a measured peptide molecular mass indicates the possibility of a PTM, vibrational excitation is applied to determine via characteristic losses the type and eventually the structure of the modification, while ECD determines...

  4. First principle and ReaxFF molecular dynamics investigations of formaldehyde dissociation on Fe(100) surface.

    Science.gov (United States)

    Yamada, Takahiro; Phelps, Donald K; van Duin, Adri C T

    2013-09-01

    Detailed formaldehyde adsorption and dissociation reactions on Fe(100) surface were studied using first principle calculations and molecular dynamics (MD) simulations, and results were compared with available experimental data. The study includes formaldehyde, formyl radical (HCO), and CO adsorption and dissociation energy calculations on the surface, adsorbate vibrational frequency calculations, density of states analysis of clean and adsorbed surfaces, complete potential energy diagram construction from formaldehyde to atomic carbon (C), hydrogen (H), and oxygen (O), simulation of formaldehyde adsorption and dissociation reaction on the surface using reactive force field, ReaxFF MD, and reaction rate calculations of adsorbates using transition state theory (TST). Formaldehyde and HCO were adsorbed most strongly at the hollow (fourfold) site. Adsorption energies ranged from -22.9 to -33.9 kcal/mol for formaldehyde, and from -44.3 to -66.3 kcal/mol for HCO, depending on adsorption sites and molecular direction. The dissociation energies were investigated for the dissociation paths: formaldehyde → HCO + H, HCO → H + CO, and CO → C + O, and the calculated energies were 11.0, 4.1, and 26.3 kcal/mol, respectively. ReaxFF MD simulation results were compared with experimental surface analysis using high resolution electron energy loss spectrometry (HREELS) and TST based reaction rates. ReaxFF simulation showed less reactivity than HREELS observation at 310 and 523 K. ReaxFF simulation showed more reactivity than the TST based rate for formaldehyde dissociation and less reactivity than TST based rate for HCO dissociation at 523 K. TST-based rates are consistent with HREELS observation.

  5. Distinguishing of Ile/Leu amino acid residues in the PP3 protein by (hot) electron capture dissociation in Fourier transform ion cyclotron resonance mass spectrometry

    DEFF Research Database (Denmark)

    Kjeldsen, Frank; Haselmann, Kim F; Sørensen, Esben Skipper;

    2003-01-01

    In hot electron capture dissociation (HECD), multiply protonated polypeptides fragment upon capturing approximately 11-eV electrons. The excess of energy upon the primary c, z* cleavage induces secondary fragmentation in z* fragments. The resultant w ions allow one to distinguish between the isom......In hot electron capture dissociation (HECD), multiply protonated polypeptides fragment upon capturing approximately 11-eV electrons. The excess of energy upon the primary c, z* cleavage induces secondary fragmentation in z* fragments. The resultant w ions allow one to distinguish between...... the isomeric Ile and Leu residues. The analytical utility of HECD is evaluated using tryptic peptides from the bovine milk protein PP3 containing totally 135 amino acid residues. Using a formal procedure for Ile/Leu (Xle) residue assignment, the identities of 20 out of 25 Xle residues (80%) were determined...... such acquisitions. Unlike the case of high-energy collision-induced dissociation, no d ions were observed in the HECD of tryptic peptides....

  6. Investigation of intense femto-second laser ionization and dissociation of methane with time-dependent density-functional approach

    Science.gov (United States)

    Irani, E.; Sadighi-Bonabi, R.; Anvari, A.

    2014-06-01

    Three dimensional calculations of electronic dynamics of CH4 in a strong laser field are presented with time-dependent density-functional theory. Time evolution of dipole moment and electron localization function is presented. The dependence of dissociation rate on the laser characters is shown and optimal effective parameters are evaluated. The optimum field leads to 76% dissociation probability for GAUSSIAN envelope and 40 fs (FWHM) at 1016 W cm-2. The dissociation probability is calculated by optimum convolution of dual short pulses. By combining of field assisted dissociation process and Ehrenfest molecular dynamics, time variation of bond length, velocity and orientation effect are investigated.

  7. Theoretical investigation of the competitive mechanism between dissociation and ionization of H₂⁺ in intense field.

    Science.gov (United States)

    Yao, Hongbin; Zhao, Guangjiu

    2014-10-01

    The competitive mechanism between dissociation and ionization of hydrogen molecular ion in intense field has been theoretically investigated by using an accurate non-Born-Oppenheimer method. The relative yield of fragments indicates that the dissociation and ionization channels are competitive with the increasing laser intensity from 5.0 × 10(13) to 2.0 × 10(14) W/cm(2). In the case of intensity lower than 1.0 × 10(14) W/cm(2), the dissociation channel is dominant, with a minor contribution from ionization. The mechanism of dissociation includes the contributions from the bond softening, bond hardening, below-threshold dissociation, and above-threshold dissociation, which are strongly dependent on the laser intensity and initial vibrational state. Furthermore, the ionization dominates over the dissociation channel at the highest intensity of 2.0 × 10(14) W/cm(2). The reasonable origin of ionization is ascribed as the above-threshold Coulomb explosion, which has been demonstrated by the space-time dependent ionization rate. Moreover, the competition mechanism between dissociation and ionization channels are displayed on the total kinetic energy resolved (KER) spectra, which could be tested at current experimental conditions.

  8. Nanosolvation by acetonitrile and 18-crown-6 ether induce strongly different effects on the electron-capture induced dissociation of aromatic tripeptide cations in the gas phase

    DEFF Research Database (Denmark)

    MacLot, S.; Rangama, J.; Nielsen, Steen Brøndsted;

    2013-01-01

    Experimental gas-phase Electron Capture-Induced Dissociation (ECID) coupled to mass-spectrometry has been performed on the doubly-protonated tripeptides Lys-Trp-Lys (KWK) and Lys-Tyr-Lys (KYK). In this report, we focus on the influence of non-covalent binding of two different molecules......, acetonitrile and 18-crown-6 ether (CE), to these tripeptide cations on the relative probabilities of their main fragmentation channels (H loss, NH3 loss and N — Cα bond cleavage) after electron capture from sodium atoms. First, we recorded the spectra of bare peptide ions, and found that N — Cα bond cleavage...... leads to fragments containing the aromatic amino acid. The structures and energies of the low-lying conformers of the tripeptide dications and radical monocations obtained from our DFT and MP2 calculations are in line with this observation. Second, the ECID spectra of KWK and KYK dications nanosolvated...

  9. Pharmacological Investigations of the Dissociative 'Legal Highs' Diphenidine, Methoxphenidine and Analogues.

    Science.gov (United States)

    Wallach, Jason; Kang, Heather; Colestock, Tristan; Morris, Hamilton; Bortolotto, Zuner A; Collingridge, Graham L; Lodge, David; Halberstadt, Adam L; Brandt, Simon D; Adejare, Adeboye

    2016-01-01

    1,2-Diarylethylamines including lanicemine, lefetamine, and remacemide have clinical relevance in a range of therapeutic areas including pain management, epilepsy, neurodegenerative disease and depression. More recently 1,2-diarylethylamines have been sold as 'legal highs' in a number of different forms including powders and tablets. These compounds are sold to circumvent governmental legislation regulating psychoactive drugs. Examples include the opioid MT-45 and the dissociative agents diphenidine (DPH) and 2-methoxy-diphenidine (2-MXP). A number of fatal and non-fatal overdoses have been linked to abuse of these compounds. As with many 'legal highs', little is known about their pharmacology. To obtain a better understanding, the effects of DPH, 2-MXP and its 3- and 4-MeO- isomers, and 2-Cl-diphenidine (2-Cl-DPH) were investigated using binding studies at 46 central nervous system receptors including the N-methyl-D-aspartate receptor (NMDAR), serotonin, dopamine, norepinephrine, histamine, and sigma receptors as well as the reuptake transporters for serotonin, dopamine and norepinephrine. Reuptake inhibition potencies were measured at serotonin, norepinephrine and dopamine transporters. NMDAR antagonism was established in vitro using NMDAR-induced field excitatory postsynaptic potential (fEPSP) experiments. Finally, DPH and 2-MXP were investigated using tests of pre-pulse inhibition of startle (PPI) in rats to determine whether they reduce sensorimotor gating, an effect observed with known dissociative drugs such as phencyclidine (PCP) and ketamine. The results suggest that these 1,2-diarylethylamines are relatively selective NMDAR antagonists with weak off-target inhibitory effects on dopamine and norepinephrine reuptake. DPH and 2-MXP significantly inhibited PPI. DPH showed greater potency than 2-MXP, acting with a median effective dose (ED50) of 9.5 mg/kg, which is less potent than values reported for other commonly abused dissociative drugs such as PCP and

  10. An investigation into a suitable scintillator for localising neutron capture within a detector

    OpenAIRE

    Balmer, Matthew; Gamage, Kelum; Taylor, Graeme

    2014-01-01

    Using Monte-Carlo modelling, an investigation into a suitable loaded scintillator for localising neutron capture in a novel neutron survey meter has been undertaken. A comparison of estimated neutron capture location in a scintillator with Geant4 and MCNP simulations was undertaken and a good general agreement between the two models was observed. The interactions of γ emissions from neutron capture in the scintillator are investigated. The results show that the γ emission from neutron capture...

  11. Investigation of linguistic comprehension processing by capture software

    Directory of Open Access Journals (Sweden)

    Vera Wannmacher Pereira

    2015-01-01

    Full Text Available Among many computer tools that are provided for research development, especially with regard to language, the capture software technologies are important for the study of cognitive processes while performing activities using the computer as an electronic support. This article presents one – the capture software SnagIt – which records videos of the user's movements with the mouse, during the linguistic comprehension process, enabling analysis and reflections on the user’s journey and thereby their cognitive processing. Two psycholinguistic studies developed at the Reference Center for Language Development – CELIN/ FALE/ PUCRS – used this capture software in order to examine the linguistic comprehension strategies applied by the subjects. These studies are presented for demonstration and explanation.

  12. Core structure of a dissociated edge dislocation and pipe diffusion in copper investigated by molecular dynamics

    Science.gov (United States)

    Huang, J.; Meyer, M.; Pontikis, V.

    1991-06-01

    The atomic core structure of two Schockley partial dislocations in copper has been investigated as a function of temperature using molecular dynamics. We employed a resonant model pseudopotential adapted to copper. Our results show that at increasing temperature, the core of the partials becomes increasingly extended and invades entirely the fault ribbon, yet, the separation distance between the partials remains unchanged. At high temperatures vibrational amplitudes of atoms are much larger in the core of the partials than in the bulk of the perfect crystal and the local atomic structure becomes highly disordered. Although disordered, the core structure remains solid-like up to temperatures close to the melting point. Pipe diffusion along this dissociated dislocation has also been investigated. The formation energies of a vacancy and an interstitial are obtained by quasi-dynamics relaxation at T = 0 K while the migration energies for pipe diffusion are calculated at high temperature. Contrary to current assumptions in favour of a vacancy mechanism, we found that in our model the two types of defects may contribute comparably to pipe diffusion since their activation energies are very close. The trajectories of the migrating defects involve not only the partials' cores but also the stacking fault ribbon extending between them, thus explaining why pipe diffusion is slower when the dislocations are dissociated. La structure de coeur de deux dislocations partielles de Schockley a été étudiée, par dynamique moléculaire, en fonction de la température. Nous avons utilisé un pseudopotentiel calculé pour le cuivre à l'aide d'un modèle de résonance. Nos résultats montrent que le coeur des partielles s'étend de plus en plus à mesure que la température augmente et qu'il recouvre complètement le ruban de faute. Cependant la distance de dissociation entre les partielles ne change pas. A haute température, les amplitudes de vibration atomique sont nettement plus

  13. Investigation of the electron capture process in semiclassical plasma

    Directory of Open Access Journals (Sweden)

    Seisembayeva Madina M.

    2016-06-01

    Full Text Available In this work, the process of electron capture in partially ionized plasma is considered. Electron-atom interaction was described by the effective interaction potential, which takes into account the screening effect at large distances and the diffraction effect at the small distances. The results of numerical calculations of the electron capture radius, differential cross-section for different values of the coupling and density parameters are presented. The differential cross-section was obtained on the basis of perturbation theory and also by solving of the equation of motion of the projectile electron.

  14. Investigation of Synaptic Tagging/Capture and Cross-capture using Acute Hippocampal Slices from Rodents.

    Science.gov (United States)

    Shetty, Mahesh Shivarama; Sharma, Mahima; Hui, Neo Sin; Dasgupta, Ananya; Gopinadhan, Suma; Sajikumar, Sreedharan

    2015-01-01

    Synaptic tagging and capture (STC) and cross-tagging are two important mechanisms at cellular level that explain how synapse-specificity and associativity is achieved in neurons within a specific time frame. These long-term plasticity-related processes are the leading candidate models to study the basis of memory formation and persistence at the cellular level. Both STC and cross-tagging involve two serial processes: (1) setting of the synaptic tag as triggered by a specific pattern of stimulation, and (2) synaptic capture, whereby the synaptic tag interacts with newly synthesized plasticity-related proteins (PRPs). Much of the understanding about the concepts of STC and cross-tagging arises from the studies done in CA1 region of the hippocampus and because of the technical complexity many of the laboratories are still unable to study these processes. Experimental conditions for the preparation of hippocampal slices and the recording of stable late-LTP/LTD are extremely important to study synaptic tagging/cross-tagging. This video article describes the experimental procedures to study long-term plasticity processes such as STC and cross-tagging in the CA1 pyramidal neurons using stable, long-term field-potential recordings from acute hippocampal slices of rats. PMID:26381286

  15. Differential dissociation micromethod for the investigation of binding of metandrostenolone (Nerobol) to plasma proteins

    Energy Technology Data Exchange (ETDEWEB)

    Bojadzsieva, M.; Kocsar, L. (Orszagos Frederic Joliot-Curie Sugarbiologiai es Sugaregeszseguegyi Kutato Intezet, Budapest (Hungary)); Kremmer, T. (Orszagos Onkologiai Intezet, Budapest (Hungary))

    1985-01-01

    A micromethod was developed to determine the binding of anabolic steroids to plasma proteins. The new procedure combines precipitation with ammonium sulphate and differential dissociation. The binding parameters (association constant, specific binding capacity) are calculated on the basis of dissociation curves of sup(3)H-metandrostenolone from the precipitated sexual binding globuline.

  16. Structure and dynamics of H$_2^+$ near the dissociation threshold: a combined experimental and computational investigation

    CERN Document Server

    Beyer, Maximilian

    2016-01-01

    The pulsed-field-ionization zero-kinetic-energy photoelectron spectrum of H$_2$ has been recorded in the vicinity of the dissociative-ionization threshold following three-photon excitation via selected rotational levels of the B $^1\\Sigma_u^+$ ($v=19$) and $\\bar{\\rm H}$ $^1\\Sigma_g^+$ ($v=11$) intermediate states. The spectra consist of transitions to bound levels of the X$^+$ $^2\\Sigma_g^+$ state of H$_2^+$ with $v^+$ in the range 14-19 and $N^+$ in the range 0-9, of the A$^+$ $^2\\Sigma_u^+$ state with $v^+=0$ and $N^+=0-2$, and of shape resonances corresponding to the X$^+\\ (v^+=17,N^+=7)$ and X$^+\\ (v^+=18,N^+=4)$ quasibound levels. Calculations of the level structure of H$_2^+$ have been carried out and the influence of adiabatic, nonadiabatic, relativistic and radiative corrections on the positions of these levels, and in the case of the shape resonances also on their widths, has been investigated. Different methods of calculating the widths and profiles of the shape resonances have been tested for compa...

  17. Dissociation dynamics of methylal

    Energy Technology Data Exchange (ETDEWEB)

    Beaud, P.; Frey, H.-M.; Gerber, T.; Mischler, B.; Radi, P.P.; Tzannis, A.-P. [Paul Scherrer Inst. (PSI), Villigen (Switzerland)

    1999-08-01

    The dissociation of methylal is investigated using mass spectrometry, combined with a pyrolytic radical source and femtosecond pump probe experiments. Based on preliminary results two reaction paths of methylal dissociation are proposed and discussed. (author) 4 fig., 3 refs.

  18. A Variety of Activation Methods Employed in 'Activated-Ion' Electron Capture Dissociation Mass Spectrometry: A Test against Bovine Ubiquitin 7+ Ions

    International Nuclear Information System (INIS)

    Fragmentation efficiencies of various 'activated-ion' electron capture dissociation (AI-ECD) methods are compared for a model system of bovine ubiquitin 7+ cations. In AI-ECD studies, sufficient internal energy was given to protein cations prior to ECD application using IR laser radiation, collisions, blackbody radiation, or in-beam collisions, in turn. The added energy was utilized in increasing the population of the precursor ions with less intra-molecular noncovalent bonds or enhancing thermal fluctuations of the protein cations. Removal of noncovalent bonds resulted in extended structures, which are ECD friendly. Under their best conditions, a variety of activation methods showed a similar effectiveness in ECD fragmentation. In terms of the number of fragmented inter-residue bonds, IR laser/blackbody infrared radiation and 'in-beam' activation were almost equally efficient with ∼70% sequence coverage, while collisions were less productive. In particular, 'in-beam' activation showed an excellent effectiveness in characterizing a pre-fractionated single kind of protein species. However, its inherent procedure did not allow for isolation of the protein cations of interest

  19. Remarks on CO{sub 2} capture from electric power plants and recommendations for future investigations

    Energy Technology Data Exchange (ETDEWEB)

    Wolsky, A.M. [Argonne National Laboratory, IL (United States)

    1993-12-31

    This paper recommends investigation of several topics that have not yet received sustained attention. Each bears directly on the cost and funding of CO{sub 2} capture and sequestration. The reasons why each topic deserves attention are briefly sketched.

  20. An Experimental Investigation of the Automatic/Voluntary Dissociation in Limb Apraxia

    Science.gov (United States)

    Trojano, Luigi; Labruna, Ludovica; Grossi, Dario

    2007-01-01

    The ability of apraxic patients to perform gestures in everyday life is a controversial issue. In this paper, we aimed to evaluate the automatic/voluntary dissociation (AVD) in four patients affected by clinically relevant limb apraxia. For this purpose, we sampled different kinds of gestures belonging to patients' motor repertoire and then…

  1. Structure effects in the $^{15}$N($n,\\gamma$)$^{16}$N radiative capture reaction from the Coulomb dissociation of $^{16}$N

    CERN Document Server

    Neelam,; Chatterjee, R

    2015-01-01

    Purpose : The aim of this paper is to calculate the $^{15}$N($n, \\gamma$)$^{16}$N radiative capture cross section and its subsequent reaction rate by an indirect method and in that process investigate the effects of spectroscopic factors of different levels of $^{16}$N to the cross section. Method : A fully quantum mechanical Coulomb breakup theory under the aegis of post-form distorted wave Born approximation is used to calculate the Coulomb breakup of $^{16}$N on Pb at 100 MeV/u. This is then related to the photodisintegration cross section of $^{16}$N($\\gamma, n$)$^{15}$N and subsequently invoking the principle of detailed balance, the $^{15}$N($n, \\gamma$)$^{16}$N capture cross section is calculated. Results : The non-resonant capture cross section is calculated with spectroscopic factors from the shell model and those extracted (including uncertainties) from two recent experiments. The data seems to favor a more single particle nature for the low-lying states of $^{16}$N. The total neutron capture rate i...

  2. Dissociating 'what' and 'how' in visual form agnosia: a computational investigation.

    Science.gov (United States)

    Vecera, S P

    2002-01-01

    Patients with visual form agnosia exhibit a profound impairment in shape perception (what an object is) coupled with intact visuomotor functions (how to act on an object), demonstrating a dissociation between visual perception and action. How can these patients act on objects that they cannot perceive? Although two explanations of this 'what-how' dissociation have been offered, each explanation has shortcomings. A 'pathway information' account of the 'what-how' dissociation is presented in this paper. This account hypothesizes that 'where' and 'how' tasks require less information than 'what' tasks, thereby allowing 'where/how' to remain relatively spared in the face of neurological damage. Simulations with a neural network model test the predictions of the pathway information account. Following damage to an input layer common to the 'what' and 'where/how' pathways, the model performs object identification more poorly than spatial localization. Thus, the model offers a parsimonious explanation of differential 'what-how' performance in visual form agnosia. The simulation results are discussed in terms of their implications for visual form agnosia and other neuropsychological syndromes.

  3. Investigation into optimal CO2 concentration for CO2 capture from aluminium production

    OpenAIRE

    Mathisen, Anette; Sørensen, Henriette; Melaaen, Morten Christian; Müller, Gunn-Iren

    2013-01-01

    Capture of CO2 from aluminum production has been simulated using Aspen Plus and Aspen Hysys. The technology used for aluminum production is the Hall-Héroult and the current cell design necessitates that large amounts of false air is supplied to the cells. This results in a CO2 concentration in the process gas at around 1 vol%, which is considered uneconomical for CO2 capture. Therefore, the aim of this investigation is to evaluate the CO2 capture from aluminum production when the process g...

  4. Numerical Investigation of Hydrate Dissociation Performance in the South China Sea with Different Horizontal Well Configurations

    Directory of Open Access Journals (Sweden)

    Jing-Chun Feng

    2014-07-01

    Full Text Available Based on the available measurement data and literature on the hydrate deposits of the South China Sea, a numerical simulation with a new dual horizontal well system has been carried out. Warm brine stimulation combined with depressurization is employed as the production method. Two horizontal wells were situated in the same horizontal plane and they were placed in the middle of the Hydrate-Bearing Layer (HBL. The warm brine is injected from the left well (LW into the reservoir, and the right well (RW acted as the producer under constant pressure. The simulation results show that the effects of hydrate dissociation rate, gas to water ratio, and energy ratio are all better than the previous work in which the dual horizontal wells are placed in the same vertical plane. In addition, the sensitivity analysis indicates that a higher injection rate can enhance the hydrate dissociation rate and gas production rate, while a lower injection rate gives a more favorable gas to water ratio and energy ratio.

  5. Unexpected tolerance of glycosylation by UDP-GalNAc:polypeptide alpha-N-acetylgalactosaminyltransferase revealed by electron capture dissociation mass spectrometry: carbohydrate as potential protective groups.

    Science.gov (United States)

    Yoshimura, Yayoi; Matsushita, Takahiko; Fujitani, Naoki; Takegawa, Yasuhiro; Fujihira, Haruhiko; Naruchi, Kentarou; Gao, Xiao-Dong; Manri, Naomi; Sakamoto, Takeshi; Kato, Kentaro; Hinou, Hiroshi; Nishimura, Shin-Ichiro

    2010-07-20

    UDP-GalNAc:polypeptide alpha-N-acetylgalactosaminyltransferases (ppGalNAcTs, EC 2.4.1.41), a family of key enzymes that initiate posttranslational modification with O-glycans in mucin synthesis by introduction of alpha-GalNAc residues, are structurally composed of a catalytic domain and a lectin domain. It has been known that multiple Ser/Thr residues are assigned in common mucin glycoproteins as potential O-glycosylation sites and more than 20 distinct isoforms of this enzyme family contribute to produce densely O-glycosylated mucin glycoproteins. However, it seems that the functional role of the lectin domain of ppGalNAcTs remains unclear. We considered that electron capture dissociation mass spectrometry (ECD-MS), a promising method for highly selective fragmentation at peptide linkages of glycopeptides to generate unique c and z series of ions, should allow for precise structural characterization to uncover the mechanism in O-glycosylation of mucin peptides by ppGalNAcTs. In the present study, it was demonstrated that a system composed of an electrospray source, a linear RFQ ion trap that isolates precursor ions, the ECD device, and a TOF mass spectrometer is a nice tool to identify the preferential O-glycosylation sites without any decomposition of the carbohydrate moiety. It should be noted that electrons used for ECD are accelerated within a range from 1.75 to 9.75 eV depending on the structures of glycopeptides of interest. We revealed for the first time that additional installation of a alpha-GalNAc residue at potential glycosylation sites by ppGalNAcT2 proceeds smoothly in various unnatural glycopeptides having alpha-Man, alpha-Fuc, and beta-Gal residues as well as alpha-GalNAc residues. The results may suggest that ppGalNAcT2 did not differentiate totally presubstituted sugar residues in terms of configuration of functional groups, d-, l-configuration, and even alpha-, beta-stereochemistry at an anomeric carbon atom when relatively short synthetic

  6. Investigation of Ionization and Dissociation Processes Produced by Electron Impact on Molecules.

    Science.gov (United States)

    Ma, Ce.

    1990-01-01

    Absolute electron impact partial ionization cross sections for Ar and CF_4 were measured by use of a newly built pulsed electron beam time-of-flight apparatus for incident electron energies from thresholds to 500 eV. The apparatus employed consisted of a low energy electron gun, 40 mm diameter ion extraction gold screens, time-of-flight drift tubes, micro-channel plate detectors and fast time to digital electronics. A pulsed electron beam was obtained by pulsing the control grid of the electron gun. Both beam - beam experiments and beam - constant gas target pressure experiments were carried out to determine the absolute partial ionization cross sections for Ar ^{+}, Ar^{2+ }, Ar^{3+} from an argon gas target, and for CF_sp {3}{+}, CF_sp {2}{+}, CF_sp {3}{2+}, CF^ {+}, CF_sp{2} {2+}, F^{+}, C^{+} from a CF _4 gas target. By charge weighted summing of the partial ionization cross sections, the total ionization cross sections of Ar and CF_4 were obtained. The total neutral dissociation cross section for CF_4 was inferred from the total ionization cross section and the total dissociation cross section. Also, a new method for determining absolute total electron scattering cross sections with corrections for forward scattering was developed. The electron beam current was measured as function of gas target pressure and the scattering path length. The total electron scattering cross section obtained from the new model is as much as 6% larger than the cross section derived from the traditional Beer's law for Ar at an incident electron energy of 300 eV. This method is capable of yielding reliable total cross section up to 10 keV. Finally, a study of the secondary electron emission as a function of ejection angle and ejection energy for CO, the doubly differential cross section (DDCS), is presented.

  7. Investigating carbonate formation in urban soils as a method for capture and storage of atmospheric carbon.

    Science.gov (United States)

    Washbourne, C-L; Renforth, P; Manning, D A C

    2012-08-01

    This paper investigates the potential for engineered urban soils to capture and store atmospheric carbon (C). Calcium (Ca) and magnesium (Mg) bearing waste silicate minerals within the soil environment can capture and store atmospheric C through the process of weathering and secondary carbonate mineral precipitation. Anthropogenic soils, known to contain substantial quantities of Ca and Mg-rich minerals derived from demolition activity (particularly cement and concrete), were systematically sampled at the surface across a 10 ha brownfield site, Science Central, located in the urban centre of Newcastle upon Tyne, U.K. Subsequent analysis yielded average carbonate contents of 21.8±4.7% wt CaCO(3). Isotopic analysis demonstrated δ(18)O values between -9.4‰ and -13.3‰ and δ(13)C values between -7.4‰ and -13.6‰ (relative to Pee Dee Belemnite), suggesting that up to 39.4±8.8% of the carbonate C has been captured from the atmosphere through hydroxylation of dissolved CO(2) in high pH solutions. The remaining carbonate C is derived from lithogenic sources. 37.4 kg of atmospheric CO(2) has already been captured and stored as carbonate per Mg of soil across the site, representing a carbon dioxide (CO(2)) removal rate of 12.5 kg CO(2) Mg(-1) yr(-1). There is the potential for capture and storage of a further 27.3 kg CO(2) Mg(-1) in residual reactive materials, which may be exploited through increased residence time (additional in situ weathering). Overall, the Science Central site has the potential to capture and store a total of 64,800 Mg CO(2) as carbonate minerals. This study illustrates the potential for managing urban soils as tools of C capture and storage, an important ecosystem service, and demonstrates the importance of studying C storage in engineering urban anthropogenic soils. PMID:22683756

  8. First-principles investigation of the dissociation and coupling of methane on small copper clusters: Interplay of collision dynamics and geometric and electronic effects

    Science.gov (United States)

    Varghese, Jithin J.; Mushrif, Samir H.

    2015-05-01

    Small metal clusters exhibit unique size and morphology dependent catalytic activity. The search for alternate minimum energy pathways and catalysts to transform methane to more useful chemicals and carbon nanomaterials led us to investigate collision induced dissociation of methane on small Cu clusters. We report here for the first time, the free energy barriers for the collision induced activation, dissociation, and coupling of methane on small Cu clusters (Cun where n = 2-12) using ab initio molecular dynamics and metadynamics simulations. The collision induced activation of the stretching and bending vibrations of methane significantly reduces the free energy barrier for its dissociation. Increase in the cluster size reduces the barrier for dissociation of methane due to the corresponding increase in delocalisation of electron density within the cluster, as demonstrated using the electron localisation function topology analysis. This enables higher probability of favourable alignment of the C-H stretching vibration of methane towards regions of high electron density within the cluster and makes higher number of sites available for the chemisorption of CH3 and H upon dissociation. These characteristics contribute in lowering the barrier for dissociation of methane. Distortion and reorganisation of cluster geometry due to high temperature collision dynamics disturb electron delocalisation within them and increase the barrier for dissociation. Coupling reactions of CHx (x = 1-3) species and recombination of H with CHx have free energy barriers significantly lower than complete dehydrogenation of methane to carbon. Thus, competition favours the former reactions at high hydrogen saturation on the clusters.

  9. Infrared multiple photon dissociation spectroscopy of ciprofloxacin: Investigation of the protonation site

    Science.gov (United States)

    Bodo, E.; Ciavardini, A.; Giardini, A.; Paladini, A.; Piccirillo, S.; Rondino, F.; Scuderi, D.

    2012-04-01

    The vibrational spectrum of isolated protonated ciprofloxacin was recorded in the range 1100-2000 cm-1 by means of infrared multiple photon dissociation (IRMPD) spectroscopy. The spectrum was obtained by electrospraying a methanol solution of ciprofloxacin in a Paul ion trap, coupled to the tunable IR radiation of a free electron laser. This spectroscopic study has been complemented by quantum chemical calculations at the DFT and MP2 levels of theory to identify the possible structures present under our experimental conditions. Several low-energy isomers with protonation occurring at the piperazinyl amino group and at the carbonyl group are predicted in the energy range 0-84 kJ mol-1. A good agreement between the measured IRMPD spectrum and the calculated absorption spectrum is observed for the isomer protonated at the piperazinyl amino group. This isomer is calculated at MP2 level of theory to lie about 76 kJ/mol above the most stable isomer which is protonated at the quinone carbonyl group. This discrepancy can be rationalized by assuming that the protonation at the piperazinyl amino group, typical of the zwitterionic form that is found in protic solvents, is retained in the ESI process. The vibrational bands observed in the IRMPD spectrum are assigned to normal modes of the isomer protonated at the piperazinyl amino group, with deviations of less than 20 cm-1 between measured and calculated frequencies.

  10. Investigating carbonate formation in urban soils as a method for capture and storage of atmospheric carbon

    International Nuclear Information System (INIS)

    This paper investigates the potential for engineered urban soils to capture and store atmospheric carbon (C). Calcium (Ca) and magnesium (Mg) bearing waste silicate minerals within the soil environment can capture and store atmospheric C through the process of weathering and secondary carbonate mineral precipitation. Anthropogenic soils, known to contain substantial quantities of Ca and Mg-rich minerals derived from demolition activity (particularly cement and concrete), were systematically sampled at the surface across a 10 ha brownfield site, Science Central, located in the urban centre of Newcastle upon Tyne, U.K. Subsequent analysis yielded average carbonate contents of 21.8 ± 4.7% wt CaCO3. Isotopic analysis demonstrated δ18O values between − 9.4‰ and − 13.3‰ and δ13C values between − 7.4‰ and − 13.6‰ (relative to Pee Dee Belemnite), suggesting that up to 39.4 ± 8.8% of the carbonate C has been captured from the atmosphere through hydroxylation of dissolved CO2 in high pH solutions. The remaining carbonate C is derived from lithogenic sources. 37.4 kg of atmospheric CO2 has already been captured and stored as carbonate per Mg of soil across the site, representing a carbon dioxide (CO2) removal rate of 12.5 kgCO2 Mg−1 yr−1. There is the potential for capture and storage of a further 27.3 kgCO2 Mg−1 in residual reactive materials, which may be exploited through increased residence time (additional in situ weathering). Overall, the Science Central site has the potential to capture and store a total of 64,800 Mg CO2 as carbonate minerals. This study illustrates the potential for managing urban soils as tools of C capture and storage, an important ecosystem service, and demonstrates the importance of studying C storage in engineering urban anthropogenic soils. Highlights: ► Urban soils potentially capture 12.5 kgCO2 Mg−1 yr−1 (value £51,843–£77,765 ha−1). ► Formation of carbonate may be significant and exploitable storage

  11. Infrared multiple photon dissociation spectroscopy of ciprofloxacin: Investigation of the protonation site

    International Nuclear Information System (INIS)

    Highlights: ► IRMPD spectroscopy of protonated ciprofloxacin electrosprayed from methanol solution. ► Quantum chemical calculations to identify the possible isomers differing in the protonation site. ► Bands are assigned to the isomer protonated. ► Bands are assigned to the isomer protonated at the piperazinyl amino group. - Abstract: The vibrational spectrum of isolated protonated ciprofloxacin was recorded in the range 1100–2000 cm−1 by means of infrared multiple photon dissociation (IRMPD) spectroscopy. The spectrum was obtained by electrospraying a methanol solution of ciprofloxacin in a Paul ion trap, coupled to the tunable IR radiation of a free electron laser. This spectroscopic study has been complemented by quantum chemical calculations at the DFT and MP2 levels of theory to identify the possible structures present under our experimental conditions. Several low-energy isomers with protonation occurring at the piperazinyl amino group and at the carbonyl group are predicted in the energy range 0–84 kJ mol−1. A good agreement between the measured IRMPD spectrum and the calculated absorption spectrum is observed for the isomer protonated at the piperazinyl amino group. This isomer is calculated at MP2 level of theory to lie about 76 kJ/mol above the most stable isomer which is protonated at the quinone carbonyl group. This discrepancy can be rationalized by assuming that the protonation at the piperazinyl amino group, typical of the zwitterionic form that is found in protic solvents, is retained in the ESI process. The vibrational bands observed in the IRMPD spectrum are assigned to normal modes of the isomer protonated at the piperazinyl amino group, with deviations of less than 20 cm−1 between measured and calculated frequencies.

  12. Infrared multiple photon dissociation spectroscopy of ciprofloxacin: Investigation of the protonation site

    Energy Technology Data Exchange (ETDEWEB)

    Bodo, E. [Dip. Di Chimica, Universita di Roma ' La Sapienza' , p.le A. Moro 5, 00185 Rome (Italy); Ciavardini, A. [Dip. di Chimica e Tecnologie del Farmaco, Universita di Roma ' ' La Sapienza' ' , p.le A. Moro 5, 00185 Rome (Italy); Dip. di Scienze e Tecnologie Chimiche, Universita di Roma ' ' Tor Vergata' ' , via della Ricerca Scientifica, 00133 Rome (Italy); Giardini, A.; Paladini, A. [CNR - IMIP, Tito Scalo (PZ) (Italy); Piccirillo, S., E-mail: picciril@uniroma2.it [Dip. di Scienze e Tecnologie Chimiche, Universita di Roma ' ' Tor Vergata' ' , via della Ricerca Scientifica, 00133 Rome (Italy); Rondino, F. [ENEA, C.R. Casaccia, (UTT-MAT), Via Anguillarese, 301, 00123 Rome (Italy); Scuderi, D. [Laboratoire de Chimie Physique, Universite Paris Sud 11, UMR 8000, Orsay (France)

    2012-04-04

    Highlights: Black-Right-Pointing-Pointer IRMPD spectroscopy of protonated ciprofloxacin electrosprayed from methanol solution. Black-Right-Pointing-Pointer Quantum chemical calculations to identify the possible isomers differing in the protonation site. Black-Right-Pointing-Pointer Bands are assigned to the isomer protonated. Black-Right-Pointing-Pointer Bands are assigned to the isomer protonated at the piperazinyl amino group. - Abstract: The vibrational spectrum of isolated protonated ciprofloxacin was recorded in the range 1100-2000 cm{sup -1} by means of infrared multiple photon dissociation (IRMPD) spectroscopy. The spectrum was obtained by electrospraying a methanol solution of ciprofloxacin in a Paul ion trap, coupled to the tunable IR radiation of a free electron laser. This spectroscopic study has been complemented by quantum chemical calculations at the DFT and MP2 levels of theory to identify the possible structures present under our experimental conditions. Several low-energy isomers with protonation occurring at the piperazinyl amino group and at the carbonyl group are predicted in the energy range 0-84 kJ mol{sup -1}. A good agreement between the measured IRMPD spectrum and the calculated absorption spectrum is observed for the isomer protonated at the piperazinyl amino group. This isomer is calculated at MP2 level of theory to lie about 76 kJ/mol above the most stable isomer which is protonated at the quinone carbonyl group. This discrepancy can be rationalized by assuming that the protonation at the piperazinyl amino group, typical of the zwitterionic form that is found in protic solvents, is retained in the ESI process. The vibrational bands observed in the IRMPD spectrum are assigned to normal modes of the isomer protonated at the piperazinyl amino group, with deviations of less than 20 cm{sup -1} between measured and calculated frequencies.

  13. Investigation of the Statistical Properties of Stable Eu Nuclei using Neutron-Capture Reactions

    Energy Technology Data Exchange (ETDEWEB)

    Agvaanluvsan, U; Alpizar-Vicente, A; Becker, J A; Becvar, F; Bredeweg, T A; Clement, R; Esch, E; Folden, III, C M; Hatarik, R; Haight, R C; Hoffman, D C; Krticka, M; Macri, R A; Mitchell, G E; Nitsche, H; O' Donnell, J M; Parker, W; Reifarth, R; Rundberg, R S; Schwantes, J M; Sheets, S A; Ullmann, J L; Vieira, D J; Wilhelmy, J B; Wilk, P; Wouters, J M; Wu, C Y

    2005-10-04

    Neutron capture for incident neutron energies <1eV up to 100 keV has been measured for {sup 151,153}Eu targets. The highly efficient DANCE (Detector for Advanced Neutron Capture Experiments) array coupled with the intense neutron beam at Los Alamos Neutron Science Center is used for the experiment. Stable Eu isotopes mass separated and electroplated on Be backings were used. Properties of well-resolved, strong resonances in two Eu nuclei are examined. The parameters for most of these resonances are known. Detailed multiplicity information for each resonance is obtained employing the high granularity of the DANCE array. The radiative decay cascades corresponding to each resonance are obtained in the experiment. The measurements are compared to simulation of these cascades which calculated with various models for the radiative strength function. Comparison between the experimental data and simulation provides an opportunity to investigate the average quantities.

  14. Investigating Veterinary Medicine Faculty Perceptions of Lecture Capture: Issues, Concerns, and Promises.

    Science.gov (United States)

    Kwiatkowski, Alison C; Demirbilek, Muhammet

    2016-01-01

    Lecture capture technology is becoming more pervasive in today's classrooms. Students are demanding their lectures be recorded, but many instructors remain resistant. The goal of this study was to investigate faculty perceptions of lecture capture and to understand their concerns with the technology. Through a review of the existing literature, three common reasons for not recording were identified: impact on class attendance, incompatible pedagogy, and technical concerns. To test the hypotheses, an electronic survey was created and distributed to the faculty of a veterinary college in the southeastern US. The survey included both quantitative and qualitative questions. An invitation was emailed to all 134 faculty members, garnering 50 responses. Results were consistent with the hypotheses. Impact on class attendance, teaching styles, and technical considerations have dissuaded many instructors from adopting lecture capture technology. However, a fourth theme that emerged was faculty lack of awareness/familiarity. According to the qualitative responses, many faculty either did not know lecture recording was available in their teaching spaces or were not trained in how to use the technology. Recommendations for future research include distributing the survey campus-wide and providing more opportunities for faculty training. It would also be worthwhile to repeat the survey after providing more information and training materials to faculty, or after switching from an opt-in to an opt-out approach, to see whether perceptions have changed among the college's faculty.

  15. First-principles investigation of the dissociation and coupling of methane on small copper clusters: Interplay of collision dynamics and geometric and electronic effects

    Energy Technology Data Exchange (ETDEWEB)

    Varghese, Jithin J.; Mushrif, Samir H., E-mail: shmushrif@ntu.edu.sg [School of Chemical and Biomedical Engineering, Nanyang Technological University, 62 Nanyang Drive, 637459 (Singapore)

    2015-05-14

    Small metal clusters exhibit unique size and morphology dependent catalytic activity. The search for alternate minimum energy pathways and catalysts to transform methane to more useful chemicals and carbon nanomaterials led us to investigate collision induced dissociation of methane on small Cu clusters. We report here for the first time, the free energy barriers for the collision induced activation, dissociation, and coupling of methane on small Cu clusters (Cu{sub n} where n = 2–12) using ab initio molecular dynamics and metadynamics simulations. The collision induced activation of the stretching and bending vibrations of methane significantly reduces the free energy barrier for its dissociation. Increase in the cluster size reduces the barrier for dissociation of methane due to the corresponding increase in delocalisation of electron density within the cluster, as demonstrated using the electron localisation function topology analysis. This enables higher probability of favourable alignment of the C–H stretching vibration of methane towards regions of high electron density within the cluster and makes higher number of sites available for the chemisorption of CH{sub 3} and H upon dissociation. These characteristics contribute in lowering the barrier for dissociation of methane. Distortion and reorganisation of cluster geometry due to high temperature collision dynamics disturb electron delocalisation within them and increase the barrier for dissociation. Coupling reactions of CH{sub x} (x = 1–3) species and recombination of H with CH{sub x} have free energy barriers significantly lower than complete dehydrogenation of methane to carbon. Thus, competition favours the former reactions at high hydrogen saturation on the clusters.

  16. Voltammetric investigation of the dissociative electron transfer to polychloromethanes at catalytic and non-catalytic electrodes

    Energy Technology Data Exchange (ETDEWEB)

    Isse, Abdirisak Ahmed; Sandona, Giancarlo; Durante, Christian [Dipartimento di Scienze Chimiche, Universita di Padova, Via Marzolo 1, 35131 Padova (Italy); Gennaro, Armando [Dipartimento di Scienze Chimiche, Universita di Padova, Via Marzolo 1, 35131 Padova (Italy)], E-mail: armando.gennaro@unipd.it

    2009-04-30

    The electrochemical behavior of CCl{sub 4}, CHCl{sub 3} and CH{sub 2}Cl{sub 2} has been investigated by cyclic voltammetry at glassy carbon and silver electrodes in DMF + 0.1 M Et{sub 4}NClO{sub 4} in the absence and presence of a good proton donor. At both electrodes, each compound exhibits a series of reduction peaks which represent sequential hydrodechlorination steps up to methane. The nature of the electrode material and the proton availability of the medium affect drastically the voltammetric pattern of the compounds. Silver exhibits extraordinary electrocatalytic properties toward the reduction process, with positive shifts of the peak potentials of about 0.57-0.95 V as compared to glassy carbon. Reduction of any polychloromethane, CH{sub n}Cl{sub (4-n)} (n = 0-2), yields the carbanion CH{sub n}Cl{sub (3-n)}{sup -} which partitions into two reaction channels: (i) protonation and (ii) Cl{sup -} elimination to give a carbene :CH{sub n}Cl{sub (2-n)}. If a strong proton donor is added into the solution, sequential hydrodechlorination becomes the principal reaction route at both electrodes. When, instead, purposely added acid is not present in solution, both reaction pathways ought to be considered. In these conditions, when possible, self-protonation reactions play an important role in the overall reduction process.

  17. Zn(2+) and Cd(2+) cationized serine complexes: infrared multiple photon dissociation spectroscopy and density functional theory investigations.

    Science.gov (United States)

    Coates, Rebecca A; Boles, Georgia C; McNary, Christopher P; Berden, Giel; Oomens, Jos; Armentrout, P B

    2016-08-10

    The gas-phase structures of zinc and cadmium dications bound to serine (Ser) are investigated by infrared multiple photon dissociation (IRMPD) action spectroscopy using the free electron laser FELIX, in combination with ab initio calculations. To identify the structures of the experimentally observed species, [Zn(Ser-H)CH3CN](+) and CdCl(+)(Ser), the measured action spectra are compared to linear absorption spectra calculated at the B3LYP/6-311+G(d,p) level for Zn(2+) containing complexes and B3LYP/def2-TZVP levels for Cd(2+) containing complexes. Good agreement between the observed IRMPD spectra and the predicted spectra allows identification of the isomers present. The intact amino acid interacting with cadmium chloride adopts a tridentate chelation involving the amino acid backbone amine and carbonyl groups as well as the hydroxyl group of the side-chain, [N,CO,OH]. The presence of two low-energy conformers is observed for the deprotonated serine-zinc complex, with the same tridentate coordination as for the cadmium complex but proton loss occurs at both the hydroxyl side-chain, [N,CO,O(-)], and the carboxylic acid of the amino acid backbone, [N,CO(-),OH]. These results are profitably compared with the analogous results previously obtained for comparable complexes with cysteine. PMID:27465924

  18. An investigation of carbon dioxide capture by chitin acetate/DMSO binary system.

    Science.gov (United States)

    Eftaiha, Ala'a F; Alsoubani, Fatima; Assaf, Khaleel I; Troll, Carsten; Rieger, Bernhard; Khaled, Aseel H; Qaroush, Abdussalam K

    2016-11-01

    Chitin is considered to be the second most abundant naturally-occurring polysaccharide. Also, dimethyl sulfoxide (DMSO) is the second highest dielectric constant polar solvent after water. Despite the low solubility of chitin in common organic solvents, and due to its high nitrogen content, it may serve as a potential scrubbing agent "wet scrubbing" for carbon dioxide (CO2) capturing as an alternative to monoethanolamine "renewables for renewables approach". Briefly, a detailed investigation for the utilization of low molecular weight, chitin-acetate (CA) in DMSO for the capturing of CO2 is reported. As carbonation process takes place, the formation of ionic alkylcarbonate was confirmed throughout spectroscopic and computational studies. Supramolecular chemisorption was proven throughout (1)H Nuclear Magnetic Resonance ((1)H NMR) together with the absence of sorption of CO2 by the monomeric repeating unit, glucosamine hydrochloride. Further, Density Functional Theory (DFT) calculations supported the formation of the CA/CO2 adduct through a newly formed supramolecular ionic interaction and hydrogen bonding along the oligosaccharide backbone between the neighboring ammonium ion and hydroxyl functional groups. The sorption capacity was measured volumetrically within an in situ Attenuated Total Reflectance-Fourier Transform Infrared coupled (in situ ATR-FTIR) autoclave at 25.0°C, and 4.0bar CO2, with a maximum sorption capacity of 3.63 [Formula: see text] /gsorbent at 10.0% (w/v). PMID:27516261

  19. An investigation of carbon dioxide capture by chitin acetate/DMSO binary system.

    Science.gov (United States)

    Eftaiha, Ala'a F; Alsoubani, Fatima; Assaf, Khaleel I; Troll, Carsten; Rieger, Bernhard; Khaled, Aseel H; Qaroush, Abdussalam K

    2016-11-01

    Chitin is considered to be the second most abundant naturally-occurring polysaccharide. Also, dimethyl sulfoxide (DMSO) is the second highest dielectric constant polar solvent after water. Despite the low solubility of chitin in common organic solvents, and due to its high nitrogen content, it may serve as a potential scrubbing agent "wet scrubbing" for carbon dioxide (CO2) capturing as an alternative to monoethanolamine "renewables for renewables approach". Briefly, a detailed investigation for the utilization of low molecular weight, chitin-acetate (CA) in DMSO for the capturing of CO2 is reported. As carbonation process takes place, the formation of ionic alkylcarbonate was confirmed throughout spectroscopic and computational studies. Supramolecular chemisorption was proven throughout (1)H Nuclear Magnetic Resonance ((1)H NMR) together with the absence of sorption of CO2 by the monomeric repeating unit, glucosamine hydrochloride. Further, Density Functional Theory (DFT) calculations supported the formation of the CA/CO2 adduct through a newly formed supramolecular ionic interaction and hydrogen bonding along the oligosaccharide backbone between the neighboring ammonium ion and hydroxyl functional groups. The sorption capacity was measured volumetrically within an in situ Attenuated Total Reflectance-Fourier Transform Infrared coupled (in situ ATR-FTIR) autoclave at 25.0°C, and 4.0bar CO2, with a maximum sorption capacity of 3.63 [Formula: see text] /gsorbent at 10.0% (w/v).

  20. Experimental investigation of CO{sub 2} capture using sodium hydroxide particles in a fluidized bed

    Energy Technology Data Exchange (ETDEWEB)

    Naeem, Sareh; Ghaemi, Ahad; Shahhosseini, Shahrokh [Iran University of Science and Technology (IUST), Tehran (Iran, Islamic Republic of)

    2016-04-15

    CO{sub 2} capture from air using sodium hydroxide solid sorbent in a laboratory scale fluidized bed reactor was investigated experimentally. The influence of three parameters of temperature, inlet CO{sub 2} volume percentage and inlet air flow rate on the CO{sub 2} removal rate was studied. Experimental results showed that the optimum rate was at 25 oC when the inlet CO{sub 2} volume percentage was 1%. The results also showed that the adsorption process was reactive, and the reaction mechanism depended on the reaction temperature. In addition, empirical observation revealed only one adsorption cycle happened at low temperatures (25-30 oC). As the temperature increased, the second adsorption cycle occurred and, finally, CO{sub 2} desorption cycle took place in the range of 90-115 .deg. C.

  1. Fragmentation dynamics of CO23+ investigated by multiple electron capture in collisions with slow highly charged ions

    CERN Document Server

    Neumann, N; Schmidt, L Ph H; Titze, J; Jahnke, T; Czasch, A; Schöffler, M S; Kreidi, K; Jagutzki, O; Schmidt-Böcking, H; Dörner, R

    2010-01-01

    Fragmentation of highly charged molecular ions or clusters consisting of more than two atoms can proceed in an onestep synchronous manner where all bonds break simultaneously or sequentially by emitting one ion after the other. We separated these decay channels for the fragmentation of CO23+ ions by measuring the momenta of the ionic fragments. We show that the total energy deposited in the molecular ion is a control parameter which switches between three distinct fragmentation pathways: the sequential fragmentation in which the emission of an O+ ion leaves a rotating CO2+ ion behind that fragments after a time delay, the Coulomb explosion and an in-between fragmentation - the asynchronous dissociation. These mechanisms are directly distinguishable in Dalitz plots and Newton diagrams of the fragment momenta. The CO23+ ions are produced by multiple electron capture in collisions with 3.2 keV/u Ar8+ ions.

  2. Investigation of current status in Europe and USA on boron neutron capture therapy

    Energy Technology Data Exchange (ETDEWEB)

    NONE

    2000-11-01

    This report describes on the spot investigation results of current status of medical irradiation in Europe and USA at Feb. 1999. In HFR (Netherlands), the phase 1 study with the Joint Research Centre (JRC) of the EU had been already finished in those days, at the same time, an improvement of medical irradiation field of VTT(Finland) had been finishing and then clinical trial research had been about to start. On the other hand, phase 1 studies by two groups of BNL (Brook heaven National Laboratory) and MIT (Nuclear Engineering of Massachusetts Institute of Technology) in US were now in almost final stage, and they would start on phase 2 study. Either reactors of MIT and BNL were in modification to increase neutron flux, especially that employing fission converter into the irradiation facility and installation of irradiation room were carrying out in the former. In Europe and USA, the accelerator-based BNCT planes are now in progress vigorously, and will have reality. A reform of dynamitron accelerator at University of Birmingham was progressed, and the clinical treatment would be started from September 2000. The accelerator group at MIT has a small type of tandem accelerator, and they were performing basic experiment for BNCS (Boron Neutron Capture Synovectomy) with this accelerator. The concept design for an accelerator and a moderator had been finished at Lawrence Berkeley National Laboratory and University of Berkeley. (author)

  3. Selective Capture of Transcribed Sequences: A Promising Approach for Investigating Bacterium-Insect Interactions

    Directory of Open Access Journals (Sweden)

    Ruisheng An

    2012-03-01

    Full Text Available Bacterial interactions with eukaryotic hosts are complex processes which vary from pathogenic to mutualistic. Identification of bacterial genes differentially expressed in the host, promises to unravel molecular mechanisms driving and maintaining such interactions. Several techniques have been developed in the past 20 years to investigate bacterial gene expression within their hosts. The most commonly used techniques include in-vivo expression technology, signature-tagged mutagenesis, differential fluorescence induction, and cDNA microarrays. However, the limitations of these techniques in analyzing bacterial in-vivo gene expression indicate the need to develop alternative tools. With many advantages over the other methods for analyzing bacterial in-vivo gene expression, selective capture of transcribed sequences (SCOTS technique has the prospect of becoming an elegant tool for discovery of genes involved in the bacterium-host interaction. Here, we summarize the advances in SCOTS technique, including its current and potential applications in bacterial gene expression studies under a variety of conditions from in-vitro to in-vivo and from mammals to insects.

  4. Investigation of current status in Europe and USA on boron neutron capture therapy

    International Nuclear Information System (INIS)

    This report describes on the spot investigation results of current status of medical irradiation in Europe and USA at Feb. 1999. In HFR (Netherlands), the phase 1 study with the Joint Research Centre (JRC) of the EU had been already finished in those days, at the same time, an improvement of medical irradiation field of VTT(Finland) had been finishing and then clinical trial research had been about to start. On the other hand, phase 1 studies by two groups of BNL (Brook heaven National Laboratory) and MIT (Nuclear Engineering of Massachusetts Institute of Technology) in US were now in almost final stage, and they would start on phase 2 study. Either reactors of MIT and BNL were in modification to increase neutron flux, especially that employing fission converter into the irradiation facility and installation of irradiation room were carrying out in the former. In Europe and USA, the accelerator-based BNCT planes are now in progress vigorously, and will have reality. A reform of dynamitron accelerator at University of Birmingham was progressed, and the clinical treatment would be started from September 2000. The accelerator group at MIT has a small type of tandem accelerator, and they were performing basic experiment for BNCS (Boron Neutron Capture Synovectomy) with this accelerator. The concept design for an accelerator and a moderator had been finished at Lawrence Berkeley National Laboratory and University of Berkeley. (author)

  5. An Investigation of Multipath Effects on the GPS System During Auto-Rendezvous and Capture

    Science.gov (United States)

    Richie, James E.; Forest, Francis W.

    1995-01-01

    The proposed use of a Cargo Transport Vehicle (CTV) to carry hardware to the Space Station Freedom (SSF) during the construction phase of the SSF project requires remote maneuvering of the CTV. The CTV is not a manned vehicle. Obtaining the relative positions of the CTV and SSF for remote auto-rendezvous and capture (AR&C) scenarios will rely heavily on the Global Positioning System (GPS). The GPS system is expected to guide the CTV up to a distance of 100 to 300 meters from the SSF. At some point within this range, an optical docking system will take over the remote guidance for capture. During any remote guidance by GPS it is possible that significant multipath signals may be caused by large objects in the vicinity of the module being remotely guided. This could alter the position obtained by the GPS system from the actual position. Due to the nature of the GPS signals, it has been estimated that if the difference in distance between the Line of Sight (LOS) path and the multipath is greater than 300 meters, the GPS system is capable of discriminating between the direct signal and the reflected (or multipath) signal. However, if the path difference is less than 300 meters, one must be concerned. This report details the work accomplished by the Electromagnetic Simulations Laboratory at Marquette University over the period December 1993 to May 1995. This work is an investigation of the strength and phase of a multipath signal arriving at the CTV relative to the direct or line of sight (LOS) signal. The signal originates at a GPS satellite in half geo-stationary orbit and takes two paths to the CTV: (1) the direct or LOS path from the GPS satellite to the CTV; and (2) a scattered path from the GPS satellite to the SSF module and then to the CTV. The scattering from a cylinder has been computed using the physical optics approximation for the current. No other approximations or assumptions have been made including no assumptions regarding the far field or Fresnel field

  6. Is game immersion just another form of selective attention? An empirical investigation of real world dissociation in computer game immersion

    OpenAIRE

    Jennett, C. I.

    2010-01-01

    When your daughter is playing video-games and you call her to dinner but she fails to respond, do you assume she heard you and ignored you? Everyday descriptions of game immersion suggest that the real world dissociation experienced by gamers could be an extreme form of selective attention. If this were the case, this would mean that your daughter really did not hear you call, due to the complexity of the game environment and a lack of available cognitive resources. This thesis...

  7. Investigating poverty through the lens of riches: immigration and segregation in Indian capture fisheries

    NARCIS (Netherlands)

    M. Bavinck

    2014-01-01

    This article argues that in the period since 1900 marine capture fisheries are more profitably characterised by a quest for wealth than by enduring poverty. Making use of country data from India, it maintains that the blue revolution that took place in the South not only retained a steadily growing

  8. Investigation of CO2 capture mechanisms of liquid-like nanoparticle organic hybrid materials via structural characterization

    KAUST Repository

    Park, Youngjune

    2011-01-01

    Nanoparticle organic hybrid materials (NOHMs) have been recently developed that comprise an oligomeric or polymeric canopy tethered to surface-modified nanoparticles via ionic or covalent bonds. It has already been shown that the tunable nature of the grafted polymeric canopy allows for enhanced CO 2 capture capacity and selectivity via the enthalpic intermolecular interactions between CO2 and the task-specific functional groups, such as amines. Interestingly, for the same amount of CO2 loading NOHMs have also exhibited significantly different swelling behavior compared to that of the corresponding polymers, indicating a potential structural effect during CO2 capture. If the frustrated canopy species favor spontaneous ordering due to steric and/or entropic effects, the inorganic cores of NOHMs could be organized into unusual structural arrangements. Likewise, the introduction of small gaseous molecules such as CO2 could reduce the free energy of the frustrated canopy. This entropic effect, the result of unique structural nature, could allow NOHMs to capture CO2 more effectively. In order to isolate the entropic effect, NOHMs were synthesized without the task-specific functional groups. The relationship between their structural conformation and the underlying mechanisms for the CO2 absorption behavior were investigated by employing NMR and ATR FT-IR spectroscopies. The results provide fundamental information needed for evaluating and developing novel liquid-like CO2 capture materials and give useful insights for designing and synthesizing NOHMs for more effective CO2 capture. © the Owner Societies 2011.

  9. Investigation of Peculiarities of a High-Voltage Pulsing Corona Discharge in Carbonic Gas and an Feature Using of Such Discharge for CO2 Dissociation

    International Nuclear Information System (INIS)

    On laboratory stand of plasmochemical reactor the feature of CO2 dissociation with the purpose of CO production in high-voltage pulsing corona discharge is investigated at a voltage up to 120 kV, a pulse length of a current 0,5 μs a repetition rate up to 100 Hz. Peculiarities of volt-ampere characteristics of such discharge are studied at different pressures of air and carbonic gas in the discharge chamber and construction of an interior electrode. It is established that in conditions of the carried out experiments a maximum efficiency of CO accretion does not exceed 3,5%

  10. Investigations of 1-(4-propylamino-3-ethyl imidazolium tetrafluoroborate ionic liquid capturing CO2

    Directory of Open Access Journals (Sweden)

    Yang Lijuan

    2013-01-01

    Full Text Available 1-(4-propylamino-3-ethyl imidazolium ([Paeim]+ Tetrafluoroborate([BF4]- Ionic liquid (IL, capturing CO2, was explored systematically at B3LYP/6-311++G** and mp2/6-311++G** level. The stable geometries of ILs and capture products were optimized, the energies of these geometries were obtained and corrected by Zero-point-vibration-energy and basis set superposition error correction. The results show that the interactions between [Paeim]+and [BF4]-are mainly displayed as hydrogen bonds, but the interaction energies exceeds -328 kJ/mol. Further analysis found that the interactions are reinforced by charge dispersion and charge redistribution of ion-pair, and that electrostatic attraction contributes much to the interaction energies. This IL system capturing CO2belongs to the class of physical sorption with 1:1 molar absorption ratio, the absorption energy is nearly -18kJ/moland thus this IL may have low energy consumption when regenerated from IL-CO2.

  11. Investigation of 186Re via radiative thermal-neutron capture on 185Re

    Science.gov (United States)

    Matters, D. A.; Lerch, A. G.; Hurst, A. M.; Szentmiklósi, L.; Carroll, J. J.; Detwiler, B.; Révay, Zs.; McClory, J. W.; McHale, S. R.; Firestone, R. B.; Sleaford, B. W.; Krtička, M.; Belgya, T.

    2016-05-01

    Partial γ -ray production cross sections and the total radiative thermal-neutron capture cross section for the 185Re(n ,γ ) 186Re reaction were measured using the Prompt Gamma Activation Analysis facility at the Budapest Research Reactor with an enriched 185Re target. The 186Re cross sections were standardized using well-known 35Cl(n ,γ )36Cl cross sections from irradiation of a stoichiometric natReCl3 target. The resulting cross sections for transitions feeding the 186Re ground state from low-lying levels below a cutoff energy of Ec=746 keV were combined with a modeled probability of ground-state feeding from levels above Ec to arrive at a total cross section of σ0=111 (6 ) b for radiative thermal-neutron capture on 185Re. A comparison of modeled discrete-level populations with measured transition intensities led to proposed revisions for seven tentative spin-parity assignments in the adopted level scheme for 186Re. Additionally, 102 primary γ rays were measured, including 50 previously unknown. A neutron-separation energy of Sn=6179.59 (5 ) keV was determined from a global least-squares fit of the measured γ -ray energies to the known 186Re decay scheme. The total capture cross section and separation energy results are comparable to earlier measurements of these values.

  12. The micellization and dissociation transitions of thermo-, pH- and sugar-sensitive block copolymer investigated by laser light scattering

    Directory of Open Access Journals (Sweden)

    Y. C. Tang

    2012-08-01

    Full Text Available A triple-stimuli responsive polymer, poly(3-acrylamidophenylboronic acid-b-poly(N-isopropylacrylamide (PAAPBA-b-PNIPAM, has been synthesized by reversible addition-fragmentation chain transfer polymerization. Temperature, pH, and fructose induced micellization and dissociation transition of block copolymer was investigated by a combination of static and dynamic laser light scattering. PAAPBA-b-PNIPAM copolymer self-assembles into micelles with PAAPBA block as core and PNIPAM as shell in lower pH aqueous solution at room temperature. Increasing the temperature causes the micelle to shrink due to the dehydration of PNIPAM segments at pH 6.2. After the elevation of solution pH from 6.2 to 10.0, the increase in the hydrophilicity of PAAPBA block leads to an expulsion of unimers from micelles. In addition, the fructose addition further enhances the dissociation of micelles. Our experiments demonstrate that the micelle to unimer transition process proceeds via the step-by-step sequential expulsion of individual chains.

  13. Emotional decision-making and its dissociable components in schizophrenia and schizoaffective disorder: a behavioural and MRI investigation.

    Science.gov (United States)

    Premkumar, Preethi; Fannon, Dominic; Kuipers, Elizabeth; Simmons, Andrew; Frangou, Sophia; Kumari, Veena

    2008-01-01

    Cognitive decision-making is known to be deficient, but relatively less is known about emotional decision-making in schizophrenia. The Iowa gambling task (IGT) is considered a reliable probe of emotional decision-making and believed to reflect orbitofrontal cortex (OFC) function. The expectancy-valence model of IGT performance implicates three dissociable components, namely, attention to reward, memory for past, relative to recent, outcomes and impulsivity in emotional decision-making. We examined IGT performance, its three components, and their grey matter volume (GMV) correlates in 75 stable patients with schizophrenia, relative to 25 healthy individuals. Patients, relative to controls, showed impaired IGT performance and poor memory for past, relative to recent, outcomes. IGT performance correlated with GMV in the OFC in controls, but not patients. There were associations between (a) attention to reward and GMV in the frontal, temporal, parietal and striatal regions in controls, and in the temporal and thalamic regions in patients, (b) memory for past outcomes and GMV in the temporal region in controls, and the frontal and temporal regions in patients, and (c) low impulsivity and greater GMV in the frontal, temporal, posterior cingulate and occipital regions in controls, and in the frontal, temporal and posterior cingulate regions in patients. Most IGT-GMV associations were stronger in controls. It is concluded that (i) poor memory, rather than less attention to reward or impulsivity, contributes to IGT performance deficit, and (ii) the relationship of IGT performance and its components with GMVs especially in the frontal and temporal lobes is lost or attenuated in schizophrenia. PMID:18329673

  14. Temporal constraints on visual perception: A psychophysical investigation of the relation between attention capture and the attentional blink

    DEFF Research Database (Denmark)

    Nielsen, Simon

    is often reduced in the first half second. This phenomenon is known as the attentional blink (Raymond, Shapiro & Arnell, 1992) and as suggests by the name is assumed to pertain to how fast attention can be reallocated. Bottleneck models suggest that the attentional blink is caused by limited capacity...... in processing targets, which effectively causes a perceptual bottleneck (Chun & Potter, 1995). According to bottleneck models, making the first target easier to perceive should improve processing in the bottleneck and reduce the attentional blink. However, recent studies suggest that an attentional blink may...... be triggered by attention capture to the first object (Folk, Leber & Egeth, 2008) and that if making the first target easier to perceive increase its saliency this may increase the attentional blink (Chua, 2005). This thesis examines the attention capture hypothesis with focus on empirical investigations...

  15. First-principles investigation of methanethiol adsorption and dissociation mechanisms on the high-Miller-index vicinal surface Cu(4 1 0).

    Science.gov (United States)

    Raouafi, Faycal; Seydou, Mahamadou; Lassoued, Karima; Taleb, Abdelhafed; Diawara, Boubakar

    2016-05-01

    In this work, we present detailed investigations of methanethiol adsorption on a Cu(4 1 0) surface within the framework of the self-consistent first-principles calculations as implemented in the Vienna ab initio simulation package (VASP). In particular, the adsorption sites, the surface coverage rate and electronic properties have been determined and compared to experimental values. The results indicate that the favorable adsorption site in the case of low coverage rate is a bridge on the step followed by the hollow site on the terrace. The adsorption significantly affects the outermost layer of the surface mainly for a higher coverage rate in a (2 × 2) supercell. The nature of the chemisorption process on the surface is analyzed by means of the density of states which, combined with charge density difference and atomic charge calculations, confirms the ionic character of the S-Cu bond. The specific effect of the presence of steps is highlighted by comparing the adsorption on the (1 0 0) terrace to the adsorption on the extended Cu(1 0 0) surface. Compared to the flat Cu(1 0 0), it is found here that while the stability is almost the same at p(2 × 2) coverage, the CH3S/Cu(4 1 0) becomes more stable than CH3S/Cu(1 0 0) at c(2 × 2) coverage with 0.30 eV per molecule. The mechanism of methanethiol dissociation is explored by the nudged elastic band method and demonstrates that the most favorable path is dissociation followed by migration of hydrogen from the step to its most stable position (hollow on the terrace) with energy barriers less than 0.5 eV. PMID:27028163

  16. First-principles investigation of methanethiol adsorption and dissociation mechanisms on the high-Miller-index vicinal surface Cu(4 1 0)

    Science.gov (United States)

    Raouafi, Faycal; Seydou, Mahamadou; Lassoued, Karima; Taleb, Abdelhafed; Diawara, Boubakar

    2016-05-01

    In this work, we present detailed investigations of methanethiol adsorption on a Cu(4 1 0) surface within the framework of the self-consistent first-principles calculations as implemented in the Vienna ab initio simulation package (VASP). In particular, the adsorption sites, the surface coverage rate and electronic properties have been determined and compared to experimental values. The results indicate that the favorable adsorption site in the case of low coverage rate is a bridge on the step followed by the hollow site on the terrace. The adsorption significantly affects the outermost layer of the surface mainly for a higher coverage rate in a (2  ×  2) supercell. The nature of the chemisorption process on the surface is analyzed by means of the density of states which, combined with charge density difference and atomic charge calculations, confirms the ionic character of the S-Cu bond. The specific effect of the presence of steps is highlighted by comparing the adsorption on the (1 0 0) terrace to the adsorption on the extended Cu(1 0 0) surface. Compared to the flat Cu(1 0 0), it is found here that while the stability is almost the same at p(2  ×  2) coverage, the CH3S/Cu(4 1 0) becomes more stable than CH3S/Cu(1 0 0) at c(2  ×  2) coverage with 0.30 eV per molecule. The mechanism of methanethiol dissociation is explored by the nudged elastic band method and demonstrates that the most favorable path is dissociation followed by migration of hydrogen from the step to its most stable position (hollow on the terrace) with energy barriers less than 0.5 eV.

  17. Selective Capture of Transcribed Sequences: A Promising Approach for Investigating Bacterium-Insect Interactions

    OpenAIRE

    Ruisheng An; Parwinder S. Grewal

    2012-01-01

    Bacterial interactions with eukaryotic hosts are complex processes which vary from pathogenic to mutualistic. Identification of bacterial genes differentially expressed in the host, promises to unravel molecular mechanisms driving and maintaining such interactions. Several techniques have been developed in the past 20 years to investigate bacterial gene expression within their hosts. The most commonly used techniques include in-vivo expression technology, signature-tagged mutagenesis, differe...

  18. Investigation for the extended application of melanoma Boron Neutron Capture Therapy

    International Nuclear Information System (INIS)

    This issue is the Part B of the Progress Report (III) which includes our latest research results focusing mainly on the successful treatment of the first human melanoma patient who had metastasis in the scalp region. We also include the subsequent clinical treatment of various types of human primary melanoma lesions and the additional basic investigations necessary to perform the treatment. (J.P.N.)

  19. A Mechanistic Investigation of the Enhanced Cleavage at Histidine in the Gas-Phase Dissociation of Protonated Peptides

    OpenAIRE

    Tsaprailis, George; Nair, Hari; Zhong, Wenqing; Kuppannan, Krishnamoorthy; Futrell, Jean H.; Wysocki, Vicki H

    2004-01-01

    Enhanced gas-phase cleavage of peptides adjacent to histidine was investigated. The peptides examined were angiotensins III (RVYIHPF) and IV (VYIHPF) as well as synthetic peptide analogs with altered key residues ((R)VYI-X-Z-F; X=F or H and Z=A, P or Sar) or a fixed charge Φ3P+CH2C(O)-VYIHPF. While all singly protonated peptide ions containing both histidine and arginine fragment non-selectively, the doubly protonated peptide ions with arginine and histidine, and the singly protonated peptide...

  20. Gas-phase thermal dissociation of uranium hexafluoride: Investigation by the technique of laser-powered homogeneous pyrolysis

    International Nuclear Information System (INIS)

    In the gas-phase, uranium hexafluoride decomposes thermally in a quasi-unimolecular reaction to yield uranium pentafluoride and atomic fluorine. We have investigated this reaction using the relatively new technique of laser-powered homogeneous pyrolysis, in which a megawatt infrared laser is used to generate short pulses of high gas temperatures under strictly homogeneous conditions. In our investigation, SiF4 is used as the sensitizer to absorb energy from a pulsed CO2 laser and to transfer this energy by collisions with the reactant gas. Ethyl chloride is used as an external standard ''thermometer'' gas to permit estimation of the unimolecular reaction rate constants by a relative rate approach. When UF6 is the reactant, CF3Cl is used as reagent to trap atomic fluorine reaction product, forming CF4 as a stable indicator which is easily detected by infrared spectroscopy. Using these techniques, we estimate the UF6 unimolecular reaction rate constant near the high-pressure limit. In the Appendix, we describe a computer program, written for the IBM PC, which predicts unimolecular rate constants based on the Rice-Ramsperger-Kassel theory. Parameterization of the theoretical model is discussed, and recommendations are made for ''appropriate'' input parameters for use in predicting the gas-phase unimolecular reaction rate for UF6 as a function of temperature and gas composition and total pressure. 85 refs., 17 figs., 14 tabs

  1. Neutron Capture and Neutron Halos

    OpenAIRE

    A.Mengoni; Otsuka, T; Nakamura, T.(International Center for Elementary Particle Physics and Department of Physics, The University of Tokyo, Tokyo, Japan); Ishihara, M.

    1996-01-01

    The connection between the neutron halo observed in light neutron rich nuclei and the neutron radiative capture process is outlined. We show how nuclear structure information such as spectroscopic factors and external components of the radial wave function of loosely bound states can be derived from the neutron capture cross section. The link between the direct radiative capture and the Coulomb dissociation process is elucidated.

  2. Gas-phase thermal dissociation of uranium hexafluoride: Investigation by the technique of laser-powered homogeneous pyrolysis

    Energy Technology Data Exchange (ETDEWEB)

    Bostick, W.D.; McCulla, W.H.; Trowbridge, L.D.

    1987-04-01

    In the gas-phase, uranium hexafluoride decomposes thermally in a quasi-unimolecular reaction to yield uranium pentafluoride and atomic fluorine. We have investigated this reaction using the relatively new technique of laser-powered homogeneous pyrolysis, in which a megawatt infrared laser is used to generate short pulses of high gas temperatures under strictly homogeneous conditions. In our investigation, SiF/sub 4/ is used as the sensitizer to absorb energy from a pulsed CO/sub 2/ laser and to transfer this energy by collisions with the reactant gas. Ethyl chloride is used as an external standard ''thermometer'' gas to permit estimation of the unimolecular reaction rate constants by a relative rate approach. When UF/sub 6/ is the reactant, CF/sub 3/Cl is used as reagent to trap atomic fluorine reaction product, forming CF/sub 4/ as a stable indicator which is easily detected by infrared spectroscopy. Using these techniques, we estimate the UF/sub 6/ unimolecular reaction rate constant near the high-pressure limit. In the Appendix, we describe a computer program, written for the IBM PC, which predicts unimolecular rate constants based on the Rice-Ramsperger-Kassel theory. Parameterization of the theoretical model is discussed, and recommendations are made for ''appropriate'' input parameters for use in predicting the gas-phase unimolecular reaction rate for UF/sub 6/ as a function of temperature and gas composition and total pressure. 85 refs., 17 figs., 14 tabs.

  3. Spectroscopic Investigation of the Canopy Configurations in Nanoparticle Organic Hybrid Materials of Various Grafting Densities during CO 2 Capture

    KAUST Repository

    Petit, Camille

    2012-01-12

    Novel liquid-like nanoparticle organic hybrid materials (NOHMs) made of polyetheramine chains tethered onto functionalized silica nanoparticles were synthesized and characterized before and after exposure to CO 2 using NMR, Raman, and ATR FT-IR spectroscopies in order to investigate the effect of the grafting densities on the NOHM canopy structure. Considering the promising tunable properties for CO 2 capture of NOHMs, this study was conducted to provide important structural information to better design NOHMs for CO 2 capture. In order to minimize the CO 2 absorption via enthalpic effect and provide a more accurate assessment of the structural effects, the NOHMs were synthesized without task-specific groups. A greater chain ordering and decreased intermolecular interactions were observed in NOHMs compared to the unbound polymer. This was attributed to the specific structural arrangement of the frustrated canopy. The distinct configuration of grafted polymer chains caused different CO 2 packing and CO 2-induced swelling behaviors between the NOHMs and the unbound polymer. The grafting density influenced the ordering and coupling of the polymer chains and CO 2-induced swelling. Its effect on the CO 2 packing behavior was less pronounced. © 2011 American Chemical Society.

  4. Comparison of collision-induced dissociation and electron-induced dissociation of phillyrin using FT-ICR MS.

    Science.gov (United States)

    Lin, Zhenguang; Lin, Zhiwei; Mu, Yingdi; Yan, Dong

    2016-10-01

    Electrospray ionization Fourier transform ion cyclotron resonance mass spectrometry using collision-induced dissociation (CID) and electron capture dissociation (ECD) at high mass resolution was first applied to investigate the characteristic fragment ions of phillyrin. The CID experimental results demonstrated the elemental composition of fragment ions unambiguously, so a reasonable fragmentation pathway of phillyrin was proposed. The ECD fragmentation mechanism was believed to be fundamentally different from the CID method. ECD could be used not only in the biological field but also as a powerful complement to the structural identification of small molecular compounds. The characteristic fragmentation pathways were helpful in analyzing and interpreting the stability and property of the parent ion. PMID:27258687

  5. Theoretical Investigation of Hydrogen Adsorption and Dissociation on Iron and Iron Carbide Surfaces Using the ReaxFF Reactive Force Field Method

    Energy Technology Data Exchange (ETDEWEB)

    Zou, Chenyu; van Duin, Adri C.T.; Sorescu, Dan C.

    2012-06-01

    We have developed a ReaxFF reactive force field to describe hydrogen adsorption and dissociation on iron and iron carbide surfaces relevant for simulation of Fischer–Tropsch (FT) synthesis on iron catalysts. This force field enables large system (>>1000 atoms) simulations of hydrogen related reactions with iron. The ReaxFF force field parameters are trained against a substantial amount of structural and energetic data including the equations of state and heats of formation of iron and iron carbide related materials, as well as hydrogen interaction with iron surfaces and different phases of bulk iron. We have validated the accuracy and applicability of ReaxFF force field by carrying out molecular dynamics simulations of hydrogen adsorption, dissociation and recombination on iron and iron carbide surfaces. The barriers and reaction energies for molecular dissociation on these two types of surfaces have been compared and the effect of subsurface carbon on hydrogen interaction with iron surface is evaluated. We found that existence of carbon atoms at subsurface iron sites tends to increase the hydrogen dissociation energy barrier on the surface, and also makes the corresponding hydrogen dissociative state relatively more stable compared to that on bare iron. These properties of iron carbide will affect the dissociation rate of H{sub 2} and will retain more surface hydride species, thus influencing the dynamics of the FT synthesis process.

  6. Investigation of correlations in the breakup of He{sup 8}; Etude des correlations dans la dissociation de l'He{sup 8}

    Energy Technology Data Exchange (ETDEWEB)

    Laurent, B

    2007-11-15

    Correlations in light neutron-rich nuclei are of considerable importance in understanding their structure. In this context the breakup of He{sup 8} into He{sup 6} + 2n has been investigated at 15 MeV/nucleon. The measurements were undertaken using a setup composed of two detector arrays: CHARISSA to detect the charged fragments and DEMON to detect the neutrons. The interpretation of the results was facilitated using a Monte Carlo simulation which was developed to take into account the correlations, the reaction and the experimental setup. Two techniques were used to study the correlations in the breakup of He{sup 8}. The first, intensity interferometry, provides, via the construction of the neutron-neutron correlation function, for a first estimate of the source size and thus the average separation between the neutrons. The second, using Dalitz plots, allows both the neutron-neutron and core-neutron correlations to be probed. Here, sequential decay via the ground state resonance of He{sup 7} and has been found to dominate the dissociation of He{sup 8}. The spatial and temporal characteristics of the breakup of He{sup 8} have thus been deduced and a root-mean-square separation between the two valence neutrons in the continuum states was estimated to be (7.3 {+-} 0.6) fm with a time delay between their emission of (1000 {+-} 300) fm/c. (author)

  7. Investigation of the Abstraction and Dissociation Mechanism in the Nitrogen Trifluoride Channels: Combined Post-Hartree-Fock and Transition State Theory Approaches.

    Science.gov (United States)

    Claudino, D; Gargano, R; Carvalho-Silva, Valter H; E Silva, Geraldo M; da Cunha, W F

    2016-07-21

    The present paper concludes our series of kinetics studies on the reactions involved in the complex mechanism of nitrogen trifluoride decomposition. Two other related reactions that, along with this mechanism, take part in an efficient boron nitride growth process are also investigated. We report results concerning two abstraction reactions, namely NF2 + N ⇄ 2NF and NF3 + NF ⇄ 2NF2, and two dissociations, N2F4 ⇄ 2NF2 and N2F3 ⇄ NF2 + NF. State-of-the-art electronic structure calculations at the CCSD(T)/cc-pVTZ level of theory were considered to determine geometries and frequencies of reactants, products, and transition states. Extrapolation of the energies to the complete basis set limit was used to obtain energies of all the species. We applied transition state theory to compute thermal rate constants including Wigner, Eckart, Bell, and deformed theory corrections in order to take tunneling effects into account. The obtained results are in good agreement with the experimental data available in the literature and are expected to provide a better phenomenological understanding of the NF3 decomposition role in the boron nitride growth for a wide range of temperature values.

  8. Numerical investigation of volume of fluid and level set interface capturing methods for bubble growth and detachment

    International Nuclear Information System (INIS)

    The injection of an air bubble in a liquid at rest is an interface flow problem where surface tension and its modeling at solid boundaries is a key factor. It is the subject of this study. Numerical simulations have been performed to study 3D axi-symmetrical bubble growth from an orifice through a horizontal wall. The gas inflow velocity used was sufficiently small to ensure that the bubble growth is quasi-static so that surface tension and buoyancy forces are dominant. The wall was considered non-wettable to avoid spreading of the interface along the wall. The Navier-Stokes equations were solved with two different interface capturing methods based on Volume of Fluid (VOF) and Level Set (LS) as well as coupled CVOFLS. In the VOF method the bubble interface was tracked using either an algebraic solver which results in some diffusion of the interface (compressive scheme implemented in OpenFOAM), or it was determined using a geometric reconstruction scheme (Geo-Reconstruct Scheme from Fluent). The TransAT code was used for the LS model which captures the interface using signed distance function. The bubble volume and center of gravity have been investigated during the growth using the three solvers and numerical results have been assessed against experimental data. These results have shown that reconstructing the interface using the LS method gives good agreement with the experiments. In VOF (compressive scheme), the bubble detaches at earlier times resulting in a smaller detachment volume. The coupled CVOFLS-GeoReconstruct was found to be more computationally expensive than the VOF-GeoReconstruct and to present bubble oscillation during the growth.

  9. Characteristics of CO2 Hydrate Formation and Dissociation in Glass Beads and Silica Gel

    OpenAIRE

    Qingping Li; Jiafei Zhao; Yu Liu; Xuke Ruan; Yongchen Song; Mingjun Yang

    2012-01-01

    CO 2 hydrate formation and dissociation is crucial for hydrate-based CO 2 capture and storage. Experimental and calculated phase equilibrium conditions of carbon dioxide (CO 2 ) hydrate in porous medium were investigated in this study. Glass beads were used to form the porous medium. The experimental data were generated using a graphical method. The results indicated the decrease of pore size resulted in the increase of the equilibrium pressure of CO 2 hydrate. Magnetic resonance imaging (MRI...

  10. Sedation and dissociative anaesthesia in the horse

    OpenAIRE

    Marntell, Stina

    2004-01-01

    The overall aim of this investigation was to study the effects of different drug combinations for premedication and dissociative anaesthesia, to examine their suitability for field conditions and their ability to maintain cardiorespiratory function and provide sufficient analgesia for common, but challenging procedures such as castration. Haemodynamic parameters, pulmonary ventilation-perfusion relationships, and clinical effects were studied during sedation and dissociative anaesthesia. The ...

  11. Capturing Thoughts, Capturing Minds?

    DEFF Research Database (Denmark)

    Nielsen, Janni

    2004-01-01

    Think Aloud is cost effective, promises access to the user's mind and is the applied usability technique. But 'keep talking' is difficult, besides, the multimodal interface is visual not verbal. Eye-tracking seems to get around the verbalisation problem. It captures the visual focus of attention...

  12. Spectrophotometric investigation of Phobos with the Rosetta OSIRIS-NAC camera and implications for its collisional capture

    Science.gov (United States)

    Pajola, M.; Lazzarin, M.; Bertini, I.; Marzari, F.; Turrini, D.; Magrin, S.; La Forgia, F.; Thomas, N.; Küppers, M.; Moissl, R.; Ferri, F.; Barbieri, C.; Rickman, H.; Sierks, H.

    2012-12-01

    The Martian satellite Phobos has been observed on 2007 February 24 and 25, during the pre- and post-Mars closest approach (CA) of the ESA Rosetta spacecraft Mars swing-by. The goal of the observations was the determination of the surface composition of different areas of Phobos, in order to obtain new clues regarding its nature and origin. Near-ultraviolet, visible and near-infrared (263.5-992.0 nm) images of Phobos's surface were acquired using the Narrow Angle Camera of the OSIRIS instrument onboard Rosetta. The six multi-wavelength sets of observations allowed a spectrophotometric characterization of different areas of the satellite, belonging respectively to the leading and trailing hemisphere of the anti-Mars hemisphere, and also of a section of its sub-Mars hemisphere. The pre-CA spectrophotometric data obtained with a phase angle of 19° have a spectral trend consistent within the error bars with those of unresolved/disc-integrated measurements present in the literature. In addition, we detect an absorption band centred at 950 nm, which is consistent with the presence of pyroxene. The post-CA observations cover from NUV to NIR a portion of the surface (0° to 43°E of longitude) never studied before. The reflectance measured on our data does not fit with the previous spectrophotometry above 650 nm. This difference can be due to two reasons. First, the OSIRIS observed area in this observation phase is completely different with respect to the other local specific spectra and hence the spectrum may be different. Secondly, due to the totally different observation geometry (the phase angle ranges from 137° to 140°), the differences of spectral slope can be due to phase reddening. The comparison of our reflectance spectra, both pre- and post-CA, with those of D-type asteroids shows that the spectra of Phobos are all redder than the mean D-type spectrum, but within the spectral dispersion of other D-types. To complement this result, we performed an investigation

  13. Spontaneous dissociation of Co2(CO8 and autocatalytic growth of Co on SiO2: A combined experimental and theoretical investigation

    Directory of Open Access Journals (Sweden)

    Kaliappan Muthukumar

    2012-07-01

    Full Text Available We present experimental results and theoretical simulations of the adsorption behavior of the metal–organic precursor Co2(CO8 on SiO2 surfaces after application of two different pretreatment steps, namely by air plasma cleaning or a focused electron beam pre-irradiation. We observe a spontaneous dissociation of the precursor molecules as well as autodeposition of cobalt on the pretreated SiO2 surfaces. We also find that the differences in metal content and relative stability of these deposits depend on the pretreatment conditions of the substrate. Transport measurements of these deposits are also presented. We are led to assume that the degree of passivation of the SiO2 surface by hydroxyl groups is an important controlling factor in the dissociation process. Our calculations of various slab settings, using dispersion-corrected density functional theory, support this assumption. We observe physisorption of the precursor molecule on a fully hydroxylated SiO2 surface (untreated surface and chemisorption on a partially hydroxylated SiO2 surface (pretreated surface with a spontaneous dissociation of the precursor molecule. In view of these calculations, we discuss the origin of this dissociation and the subsequent autocatalysis.

  14. The expectancy of threat and peritraumatic dissociation

    Directory of Open Access Journals (Sweden)

    Pamela McDonald

    2013-12-01

    Full Text Available Background: Peritraumatic dissociation is one of the most critical acute responses to a traumatic experience, partly because it predicts subsequent posttraumatic stress disorder. Despite this, there is little understanding about the factors that influence peritraumatic dissociation. This study investigated the extent to which peritraumatic dissociation is predicted by the amount of perceived warning that participants had of the impact of the trauma. Method: Randomized eligible admissions to four major trauma hospitals (N =243 were assessed during hospital admission with the Peritraumatic Dissociation Experiences Questionnaire (PDEQ and the perceived warning that participants had before the trauma impact occurred. Results: Whereas female gender predicted both Awareness and Derealization subscale scores on the PDEQ, perceived warning also predicted scores on the Derealization subscale. Conclusions: This finding suggests that the degree of anticipated threat may contribute to peritraumatic dissociation.

  15. What contributes to predicting change in the treatment of dissociation: initial levels of dissociation, PTSD, or overall distress?

    Science.gov (United States)

    Brand, Bethany L; Stadnik, Ryan

    2013-01-01

    Individuals with dissociative disorders (DDs) suffer from high levels of dissociation as well as posttraumatic stress disorder (PTSD) and general distress. No research has investigated how changes in dissociation relate to changes in other symptoms over the course of treatment in patients with DD. Using a prospective, naturalistic design, we collected reports of symptoms from a sample of therapists and their patients diagnosed with dissociative identity disorder or dissociative disorder not otherwise specified who participated in the Treatment Outcome of Patients with Dissociative Disorders study. The patients completed surveys at intake (Time 1) into the study and at 30-month follow-up (Time 4). We found that dissociative symptoms, including amnesia, depersonalization/derealization, and absorption, at the initial assessment of the study ("initial") were related to initial levels of PTSD and general distress and that changes in dissociative symptoms were related to changes in PTSD and general distress. Initial dissociation was a significant predictor of change in dissociation at 30 months when we controlled for length of time for follow-up, length of time practicing therapy, and length of time treating dissociative patients. Our results suggest that a reduction in dissociative symptoms in DD patients is associated with reductions in the overall severity of dissociative, posttraumatic stress, and distress symptoms. PMID:23627481

  16. Loop facility for investigating of BRIG-300 reactor fuel elements with dissociating N2O4 coolant on ''Mariya'' reactor (PPR)

    International Nuclear Information System (INIS)

    The construction of a gas-cooled loop facility with a dissociating coolant N2O4 is designed that allows the fuel element to be tested under the simultaneous effect of the reactor irradiation and chemically active N2O4 with fast neutron density of (4-6)x1014 neutr./(cm2xs) and pressure of 16.0 MPa. The schematic drawing of the facility and loop channel construction are presented. The principle of the facility operation is described

  17. The Shutdown Dissociation Scale (Shut-D

    Directory of Open Access Journals (Sweden)

    Inga Schalinski

    2015-05-01

    Full Text Available The evolutionary model of the defense cascade by Schauer and Elbert (2010 provides a theoretical frame for a short interview to assess problems underlying and leading to the dissociative subtype of posttraumatic stress disorder. Based on known characteristics of the defense stages “fright,” “flag,” and “faint,” we designed a structured interview to assess the vulnerability for the respective types of dissociation. Most of the scales that assess dissociative phenomena are designed as self-report questionnaires. Their items are usually selected based on more heuristic considerations rather than a theoretical model and thus include anything from minor dissociative experiences to major pathological dissociation. The shutdown dissociation scale (Shut-D was applied in several studies in patients with a history of multiple traumatic events and different disorders that have been shown previously to be prone to symptoms of dissociation. The goal of the present investigation was to obtain psychometric characteristics of the Shut-D (including factor structure, internal consistency, retest reliability, predictive, convergent and criterion-related concurrent validity.A total population of 225 patients and 68 healthy controls were accessed. Shut-D appears to have sufficient internal reliability, excellent retest reliability, high convergent validity, and satisfactory predictive validity, while the summed score of the scale reliably separates patients with exposure to trauma (in different diagnostic groups from healthy controls.The Shut-D is a brief structured interview for assessing the vulnerability to dissociate as a consequence of exposure to traumatic stressors. The scale demonstrates high-quality psychometric properties and may be useful for researchers and clinicians in assessing shutdown dissociation as well as in predicting the risk of dissociative responding.

  18. Neutron Capture Nucleosynthesis

    OpenAIRE

    Kiss, Miklos

    2016-01-01

    Heavy elements (beyond iron) are formed in neutron capture nucleosynthesis processes. We have proposed a simple unified model to investigate the neutron capture nucleosynthesis in arbitrary neutron density environment. We have also investigated what neutron density is required to reproduce the measured abundance of nuclei assuming equilibrium processes. We found both of these that the medium neutron density has a particularly important role at neutron capture nucleosynthesis. About these resu...

  19. Theoretical investigation of energy deposition and electron capture cross-sections for helium ion impact on formaldehyde

    Energy Technology Data Exchange (ETDEWEB)

    Cabrera-Trujillo, R. [Quantum Theory Project, University of Florida, P.O. Box 118435, Gainesville, FL 32611-8435 (United States); Instituto de Ciencias Fisicas, Universidad Nacional Autonoma de Mexico, Apartado Postal 48-3, Cuernavaca, Morelos, 62251 (Mexico); Sabin, John R. [Quantum Theory Project, University of Florida, P.O. Box 118435, Gainesville, FL 32611-8435 (United States)]. E-mail: sabin@qtp.ufl.edu; Deumens, Erik [Quantum Theory Project, University of Florida, P.O. Box 118435, Gainesville, FL 32611-8435 (United States); Ohrn, Yngve [Quantum Theory Project, University of Florida, P.O. Box 118435, Gainesville, FL 32611-8435 (United States)

    2007-08-15

    The subject of the work presented here is related to damage caused by energetic, charged particle radiation such as electrons, protons, and alpha particles to prebiotic matter such as that found in interstellar space. The calculations are carried out using an all electron, all nuclei, scheme that explicitly treats the electron-nuclear coupling. We present results for the no-capture, as well as the single and double electron capture probabilities, as well as for the 1s and 2l (l = s, p) contributions to the electron capture cross-sections of {sup 3}He{sup 2+} projectiles on formaldehyde molecules. We find that the summed cross-section peaks at 10 keV/amu, and has a plateau between 0.1 and 1 keV/amu. We also present preliminary results for the nuclear, ro-vibrational and electronic stopping cross-section. We find a large contribution to the electronic stopping cross-section and a maximum shifted towards higher energies in the nuclear stopping cross-section, when compared to SRIM results. We interpret this to be a consequence of molecular bonding.

  20. Theoretical investigation of energy deposition and electron capture cross-sections for helium ion impact on formaldehyde

    International Nuclear Information System (INIS)

    The subject of the work presented here is related to damage caused by energetic, charged particle radiation such as electrons, protons, and alpha particles to prebiotic matter such as that found in interstellar space. The calculations are carried out using an all electron, all nuclei, scheme that explicitly treats the electron-nuclear coupling. We present results for the no-capture, as well as the single and double electron capture probabilities, as well as for the 1s and 2l (l = s, p) contributions to the electron capture cross-sections of 3He2+ projectiles on formaldehyde molecules. We find that the summed cross-section peaks at 10 keV/amu, and has a plateau between 0.1 and 1 keV/amu. We also present preliminary results for the nuclear, ro-vibrational and electronic stopping cross-section. We find a large contribution to the electronic stopping cross-section and a maximum shifted towards higher energies in the nuclear stopping cross-section, when compared to SRIM results. We interpret this to be a consequence of molecular bonding

  1. The dissociative bond.

    Science.gov (United States)

    Gordon, Nirit

    2013-01-01

    Dissociation leaves a psychic void and a lingering sense of psychic absence. How do 2 people bond while they are both suffering from dissociation? The author explores the notion of a dissociative bond that occurs in the aftermath of trauma--a bond that holds at its core an understanding and shared detachment from the self. Such a bond is confined to unspoken terms that are established in the relational unconscious. The author proposes understanding the dissociative bond as a transitional space that may not lead to full integration of dissociated knowledge yet offers some healing. This is exemplified by R. Prince's (2009) clinical case study. A relational perspective is adopted, focusing on the intersubjective aspects of a dyadic relationship. In the dissociative bond, recognition of the need to experience mutual dissociation can accommodate a psychic state that yearns for relationship when the psyche cannot fully confront past wounds. Such a bond speaks to the need to reestablish a sense of human relatedness and connection when both parties in the relationship suffer from disconnection. This bond is bound to a silence that becomes both a means of protection against the horror of traumatic memory and a way to convey unspoken gestures toward the other.

  2. Coulomb dissociation studies for astrophysical thermonuclear reactions

    Energy Technology Data Exchange (ETDEWEB)

    Motobayashi, T. [Dept. of Physics, Rikkyo Univ., Toshima, Tokyo (Japan)

    1998-06-01

    The Coulomb dissociation method was applied to several radiative capture processes of astrophysical interest. The method has an advantage of high experimental efficiency, which allow measurements with radioactive nuclear beams. The reactions {sup 13}N(p,{gamma}){sup 14}O and {sup 7}Be(p,{gamma}){sup 8}B are mainly discussed. They are the key reaction in the hot CNO cycle in massive stars and the one closely related to the solar neutrino problem, respectively. (orig.)

  3. Reach tracking reveals dissociable processes underlying cognitive control.

    Science.gov (United States)

    Erb, Christopher D; Moher, Jeff; Sobel, David M; Song, Joo-Hyun

    2016-07-01

    The current study uses reach tracking to investigate how cognitive control is implemented during online performance of the Stroop task (Experiment 1) and the Eriksen flanker task (Experiment 2). We demonstrate that two of the measures afforded by reach tracking, initiation time and reach curvature, capture distinct patterns of effects that have been linked to dissociable processes underlying cognitive control in electrophysiology and functional neuroimaging research. Our results suggest that initiation time reflects a response threshold adjustment process involving the inhibition of motor output, while reach curvature reflects the degree of co-activation between response alternatives registered by a monitoring process over the course of a trial. In addition to shedding new light on fundamental questions concerning how these processes contribute to the cognitive control of behavior, these results present a framework for future research to investigate how these processes function across different tasks, develop across the lifespan, and differ among individuals. PMID:27045465

  4. Experimental investigations of electron capture from atomic hydrogen and deuterium by alpha particles. Final report, September 15, 1984--September 14, 1993

    International Nuclear Information System (INIS)

    The authors have succeeded in making state-selective measurements of charge capture by doubly-ionized helium colliding with ground-state neutral helium atoms, but failed to achieve the primary goal, which was to investigate atomic hydrogen targets. They discuss a number of ancillary experiments and calculations of relevance for fusion energy production that they have done. Reprints and preprints of publications resulting from this work are contained in an appendix

  5. CO2 Dissociation using the Versatile Atmospheric Dielectric Barrier Discharge Experiment (VADER)

    OpenAIRE

    Michael Allen Lindon; Earl eScime

    2014-01-01

    Dissociation of CO2 is investigated in an atmospheric pressure dielectric barrier discharge (DBD) with a simple, zero dimensional (0-D) chemical model and through experiment. The model predicts that the primary CO2 dissociation pathway within a DBD is electron impact dissociation and electron-vibrational excitation. The relaxation kinetics following dissociation are dominated by atomic oxygen chemistry. The experiments included investigating the energy efficiencies and dissociation rates of...

  6. CO2 dissociation using the Versatile atmospheric dielectric barrier discharge experiment (VADER)

    OpenAIRE

    Lindon, Michael A.; Scime, Earl E.

    2014-01-01

    Dissociation of CO2 is investigated in an atmospheric pressure dielectric barrier discharge (DBD) with a simple, zero dimensional (0-D) chemical model and through experiment. The model predicts that the primary CO2 dissociation pathway within a DBD is electron impact dissociation and electron-vibrational excitation. The relaxation kinetics following dissociation are dominated by atomic oxygen chemistry. The experiments included investigating the energy efficiencies and dissociation rates of C...

  7. Neutron Capture Nucleosynthesis

    CERN Document Server

    Kiss, Miklos

    2016-01-01

    Heavy elements (beyond iron) are formed in neutron capture nucleosynthesis processes. We have proposed a simple unified model to investigate the neutron capture nucleosynthesis in arbitrary neutron density environment. We have also investigated what neutron density is required to reproduce the measured abundance of nuclei assuming equilibrium processes. We found both of these that the medium neutron density has a particularly important role at neutron capture nucleosynthesis. About these results most of the nuclei can formed at medium neutron capture density environment e.g. in some kind of AGB stars. Besides these observations our model is capable to use educational purpose.

  8. Investigating the Use Of Portable Air Pollution Sensors to Capture the Spatial Variability Of Traffic-Related Air Pollution.

    Science.gov (United States)

    Deville Cavellin, Laure; Weichenthal, Scott; Tack, Ryan; Ragettli, Martina S; Smargiassi, Audrey; Hatzopoulou, Marianne

    2016-01-01

    Advances in microsensor technologies for air pollution monitoring encourage a growing use of portable sensors. This study aims at testing their performance in the development of exposure surfaces for nitrogen dioxide (NO2) and ozone (O3). In Montreal, Canada, a data-collection campaign was conducted across three seasons in 2014 for 76 sites spanning the range of land uses and built environments of the city; each site was visited from 6 to 12 times, for 20 min, using NO2 and O3 sensors manufactured by Aeroqual. Land-use regression models were developed, achieving R(2) values of 0.86 for NO2 and 0.92 for O3 when adjusted for regional meteorology to control for the fact that all of the locations were not monitored at the same time. A total of two exposure surfaces were then developed for NO2 and O3 as averages over spring, summer, and fall. Validation against the fixed-station data and previous campaigns suggests that Aeroqual sensors tend to overestimate the highest NO2 and O3 concentrations, thus increasing the range of values across the city. However, the sensors suggest a good performance with respect to capturing the spatial variability in NO2 and O3 and are very convenient to use, having great potential for capturing temporal variability.

  9. Investigation of model capability in capturing vertical hydrodynamic coastal processes: a case study in the North Adriatic Sea

    Directory of Open Access Journals (Sweden)

    W. J. McKiver

    2015-08-01

    Full Text Available In this work we consider a numerical study of hydrodynamics in the coastal zone using two different models, SHYFEM and MITgcm, to assess their capability to capture the main processes. We focus on the North Adriatic Sea during a strong dense water event that occurred at the beginning of 2012. This serves as an interesting test case to examine both the models strengths and weaknesses, while giving an opportunity to understand how these events affect coastal processes, like upwelling and downwelling, and how they interact with estuarine dynamics. Using the models we examine the impact of setup, surface and lateral boundary treatment, resolution and mixing schemes, as well as assessing the importance of nonhydrostatic dynamics in coastal processes. Both models are able to capture the dense water event, though each displays biases in different regions. The models show large differences in the reproduction of surface patterns, identifying the choice of suitable bulk formulas as a central point for the correct simulation of the thermohaline structure of the coastal zone. Moreover, the different approaches in treating lateral freshwater sources affect the vertical coastal stratification. The results indicate the importance of having high horizontal resolution in the coastal zone, specifically in close proximity to river inputs, in order to reproduce the effect of the complex coastal morphology on the hydrodynamics. A lower resolution offshore is acceptable for the reproduction of the dense water event, even if specific vortical structures are missed. Finally, it is found that nonhydrostatic processes are of little importance for the reproduction of dense water formation in the shelf of the North Adriatic Sea.

  10. Investigation of model capability in capturing vertical hydrodynamic coastal processes: a case study in the north Adriatic Sea

    Science.gov (United States)

    McKiver, W. J.; Sannino, G.; Braga, F.; Bellafiore, D.

    2016-01-01

    In this work we consider a numerical study of hydrodynamics in the coastal zone using two different models, SHYFEM (shallow water hydrodynamic finite element model) and MITgcm (Massachusetts Institute of Technology general circulation model), to assess their capability to capture the main processes. We focus on the north Adriatic Sea during a strong dense water event that occurred at the beginning of 2012. This serves as an interesting test case to examine both the models strengths and weaknesses, while giving an opportunity to understand how these events affect coastal processes, like upwelling and downwelling, and how they interact with estuarine dynamics. Using the models we examine the impact of setup, surface and lateral boundary treatment, resolution and mixing schemes, as well as assessing the importance of nonhydrostatic dynamics in coastal processes. Both models are able to capture the dense water event, though each displays biases in different regions. The models show large differences in the reproduction of surface patterns, identifying the choice of suitable bulk formulas as a central point for the correct simulation of the thermohaline structure of the coastal zone. Moreover, the different approaches in treating lateral freshwater sources affect the vertical coastal stratification. The results indicate the importance of having high horizontal resolution in the coastal zone, specifically in close proximity to river inputs, in order to reproduce the effect of the complex coastal morphology on the hydrodynamics. A lower resolution offshore is acceptable for the reproduction of the dense water event, even if specific vortical structures are missed. Finally, it is found that nonhydrostatic processes are of little importance for the reproduction of dense water formation in the shelf of the north Adriatic Sea.

  11. Investigation of Ester- and Amide-Linker-Based Porous Organic Polymers for Carbon Dioxide Capture and Separation at Wide Temperatures and Pressures.

    Science.gov (United States)

    Ullah, Ruh; Atilhan, Mert; Anaya, Baraa; Al-Muhtaseb, Shaheen; Aparicio, Santiago; Patel, Hasmukh; Thirion, Damien; Yavuz, Cafer T

    2016-08-17

    Organic compounds, such as covalent organic framework, metal-organic frameworks, and covalent organic polymers have been under investigation to replace the well-known amine-based solvent sorption technology of CO2 and introduce the most efficient and economical material for CO2 capture and storage. Various organic polymers having different function groups have been under investigation both for low and high pressure CO2 capture. However, search for a promising material to overcome the issues of lower selectivity, less capturing capacity, lower mass transfer coefficient and instability in materials performance at high pressure and various temperatures is still ongoing process. Herein, we report synthesis of six covalent organic polymers (COPs) and their CO2, N2, and CH4 adsorption performances at low and high pressures up to 200 bar. All the presented COPs materials were characterized by using elemental analysis method, Fourier transform infrared spectroscopy (FTIR) and solid state nuclear magnetic resonance (NMR) spectroscopy techniques. Physical properties of the materials such as surface areas, pore volume and pore size were determined through BET analysis at 77 K. All the materials were tested for CO2, CH4, and N2 adsorption using state of the art equipment, magnetic suspension balance (MSB). Results indicated that, amide based material i.e. COP-33 has the largest pore volume of 0.2 cm(2)/g which can capture up to the maximum of 1.44 mmol/g CO2 at room temperature and at pressure of 10 bar. However, at higher pressure of 200 bar and 308 K ester-based compound, that is, COP-35 adsorb as large as 144 mmol/g, which is the largest gas capturing capacity of any COPs material obtained so far. Importantly, single gas measurement based selectivity of COP-33 was comparatively better than all other COPs materials at all condition. Nevertheless, overall performance of COP-35 rate of adsorption and heat of adsorption has indicated that this material can be considered for

  12. Investigation of Ester- and Amide-Linker-Based Porous Organic Polymers for Carbon Dioxide Capture and Separation at Wide Temperatures and Pressures.

    Science.gov (United States)

    Ullah, Ruh; Atilhan, Mert; Anaya, Baraa; Al-Muhtaseb, Shaheen; Aparicio, Santiago; Patel, Hasmukh; Thirion, Damien; Yavuz, Cafer T

    2016-08-17

    Organic compounds, such as covalent organic framework, metal-organic frameworks, and covalent organic polymers have been under investigation to replace the well-known amine-based solvent sorption technology of CO2 and introduce the most efficient and economical material for CO2 capture and storage. Various organic polymers having different function groups have been under investigation both for low and high pressure CO2 capture. However, search for a promising material to overcome the issues of lower selectivity, less capturing capacity, lower mass transfer coefficient and instability in materials performance at high pressure and various temperatures is still ongoing process. Herein, we report synthesis of six covalent organic polymers (COPs) and their CO2, N2, and CH4 adsorption performances at low and high pressures up to 200 bar. All the presented COPs materials were characterized by using elemental analysis method, Fourier transform infrared spectroscopy (FTIR) and solid state nuclear magnetic resonance (NMR) spectroscopy techniques. Physical properties of the materials such as surface areas, pore volume and pore size were determined through BET analysis at 77 K. All the materials were tested for CO2, CH4, and N2 adsorption using state of the art equipment, magnetic suspension balance (MSB). Results indicated that, amide based material i.e. COP-33 has the largest pore volume of 0.2 cm(2)/g which can capture up to the maximum of 1.44 mmol/g CO2 at room temperature and at pressure of 10 bar. However, at higher pressure of 200 bar and 308 K ester-based compound, that is, COP-35 adsorb as large as 144 mmol/g, which is the largest gas capturing capacity of any COPs material obtained so far. Importantly, single gas measurement based selectivity of COP-33 was comparatively better than all other COPs materials at all condition. Nevertheless, overall performance of COP-35 rate of adsorption and heat of adsorption has indicated that this material can be considered for

  13. Comparison of collision-induced dissociation and electron-induced dissociation of phillyrin using FT-ICR MS

    Science.gov (United States)

    Lin, Zhenguang; Lin, Zhiwei; Mu, Yingdi; Yan, Dong

    2016-10-01

    Electrospray ionization Fourier transform ion cyclotron resonance mass spectrometry using collision-induced dissociation (CID) and electron capture dissociation (ECD) at high mass resolution was first applied to investigate the characteristic fragment ions of phillyrin. The CID experimental results demonstrated the elemental composition of fragment ions unambiguously, so a reasonable fragmentation pathway of phillyrin was proposed. The ECD fragmentation mechanism was believed to be fundamentally different from the CID method. ECD could be used not only in the biological field but also as a powerful complement to the structural identification of small molecular compounds. The characteristic fragmentation pathways were helpful in analyzing and interpreting the stability and property of the parent ion. The ESI FT-ICR MS using CID and ECD methods was applied to investigate the characteristic fragment ions of Phillyrin for the first time. The fragmentation process of phillyrin which formation of the peroxide bond by CID, was discussed in detail. These characteristic fragmentation pathways were helpful to analyze and interpret the stability and property of the parent ion. It was clearly demonstrated that ECD can be not only used to Biological field but also a powerful complement to the structure identification of small molecules.

  14. The production of CO+(A 2Π) from dissociative ionization of CO2: a fragment ion-photon coincidence spectroscopic investigation

    International Nuclear Information System (INIS)

    Fragment ion-photon coincidence (FIPCO) spectra by 120 eV electron impact on carbon dioxide (CO2) have been observed, in which optical emission in the 250-600 nm region has been detected. There are a dominant CO2+ peak and a weak, broad CO+ peak in the FIPCO spectra. The kinetic energy distribution of CO+ correlated with the CO+(A 2Π-X 2Σ+) emission has been estimated on the basis of the Monte Carlo simulation of the CO+ band shape. This CO+(A 2Π) ion is produced through the dissociation process, CO2+e-→CO2+*[MET I 2Πu] + 2e-→CO+(A 2Π) + O(3P) + 2e-, where MET refers to multiple electron transitions. The production of CO+(B 2Σ+) is negligible compared with that of CO+(A 2Π). The produced CO+(A 2Π) ion is in vibrationally excited levels, and there is little population in the vibrational levels, v'≤3. (author)

  15. The impact of dissociation on the development and maintenance of posttraumatic stress disorder

    NARCIS (Netherlands)

    Hagenaars, M.A.

    2008-01-01

    This dissertation investigated the impact of dissociation on the development of posttraumatic stress disorder (PTSD), on memory formation, and on treatment efficacy. First, the predictive power of peritraumatic psychological and somatoform dissociation was investigated in two studies using a prospec

  16. Experimental and computational investigation of CO2 capture on amine grafted metal-organic framework NH2-MIL-101

    Science.gov (United States)

    Huang, Xiang; Lu, Jianfeng; Wang, Weilong; Wei, Xiaolan; Ding, Jing

    2016-05-01

    A standard metal-organic framework, NH2-MIL-101 based on chromium has been synthesized. For the purpose of offering more binding sites for CO2, post-synthetic modification of tetraethylenepentamine (TEPA) was conducted by using a wet impregnation method. With the aim of better understanding the thermodynamics and mechanisms of CO2 adsorption, molecular dynamics (MD) simulations have been used for structures optimization and adsorption kinetics of NH2-MIL-101/TEPA adsorbents, and the CO2 adsorption capacity with different TEPA loadings was simulated by the Monte Carlo (MC) method. Results confirmed that TEPA was successfully grafted on the coordinative unsaturated metal centers. At 1 bar and 298 K, NH2-MIL-101 combined with 50 wt% TEPA exhibited a CO2 uptake of 3.1 mmol/g-sorb. Under low loading of TEPA, the coordinative unsaturated metal centers made a relatively big contribution to CO2 adsorption. With more TEPA incorporated, the CO2 binding affinity was enhanced due to the existence of abundant amine groups. On the basis of both experimental and simulation analysis, this synthesized amine-grafted sorbent with excellent CO2 capture performance is an ideal material for greenhouse gas control.

  17. Dissociative recombination of N2H+

    Science.gov (United States)

    dos Santos, S. Fonseca; Ngassam, V.; Orel, A. E.; Larson, Å.

    2016-08-01

    The direct and indirect mechanisms of dissociative recombination of N2H+ are theoretically studied. At low energies, the electron capture is found to be driven by recombination into bound Rydberg states, while at collision energies above 0.1 eV, the direct capture and dissociation along electronic resonant states becomes important. Electron-scattering calculations using the complex Kohn variational method are performed to obtain the scattering matrix as well as energy positions and autoionization widths of resonant states. Potential-energy surfaces of electronic bound states of N2H and N2H+ are computed using structure calculations with the multireference configuration interaction method. The cross section for the indirect mechanism is calculated using a vibrational frame transformation of the elements of the scattering matrix at energies just above the ionization threshold. Here vibrational excitations of the ionic core from v =0 to v =1 and v =2 for all three normal modes are considered and autoionization is neglected. The cross section for the direct dissociation along electronic resonant states is computed with wave-packet calculations using the multiconfiguration time-dependent Hartree method, where all three internal degrees of freedom are considered. The calculated cross sections are compared to measurements.

  18. Dissociative charge exchange of H2+

    International Nuclear Information System (INIS)

    This thesis is devoted to molecular dissociation, in particular the dissociation of the hydrogen molecule H2 arising from electron capture of its ion H2+ in a collision. Thereby the important practical question how a chemical bond can be broken is implicitly addressed. This thesis opens (chapter I) with an overview of the available experimental approaches in molecular physics. Further the simple Demkov model for NRCE is described. In chapter II a novel experimental technique for measurements on dissociative processes is introduced which combines a high efficiency with a high energy resolution. A detailed description of the techniques applied in the detector, which has a high spatial and timing resolution with 30 μm and 350 psec FWHM respectively for the detection of one particle, is given in chapter III. A semi-classical theory for NRCE in the medium energy range between a diatomic molecular ion and an atom is developed in chapter IV. The experiments on dissociative charge exchange of H2+ with Ar, Mg, Na and Cs targets at keV energies are described in Chapter V. The predissociation of the c3PIsub(u)-state of H2 populated after charge exchange of H2 with several targets at keV energies; is the subject of chapter VI. In chapter VII, orientational oscillations in the cross section for charge exchange of H2+ with alkali targets are discussed. The last chapter deals with predissociation of highly excited states in H2. (Auth.)

  19. CO product distribution in the unimolecular dissociation of HCO

    Institute of Scientific and Technical Information of China (English)

    郭锐; 赵新生

    2000-01-01

    The unimolecular dissociation of HCO ground state was investigated with the time-dependent full-quantum symplectic propagation based on the newest potential energy surface of the system. Calculated energy and widths of HCO resonance states agree well with those in the literature. CO product distribution was systematically investigated. A simple model was presented to interpret the rovibrational distributions in HCO dissociation.

  20. Above-Threshold Dissociation of HD+ in Femtosecond Laser Field

    Institute of Scientific and Technical Information of China (English)

    BA Song-Yue; YUAN Kai-Jun; HAN Yong-Chang; CONG Shu-Lin

    2008-01-01

    @@ The above-threshold dissociation (ATD) of the HD+ molecular ion in femtosecond laser field is investigated theoretically. The energy-dependent distribution of the dissociated fragments is calculated using an asymptotic-flow expression in the momentum space. The calculations show that the ATD of HD+ is sensitive to the initial vibrational level of ground electronic state. Multiphoton ATDs can be observed in the dissociation processes. The dynamics phenomena are interpreted by using the concept of light-dressed potential.

  1. Quantum Chemistry Study on Dissociation of Oxalyl Bromide

    Institute of Scientific and Technical Information of China (English)

    2005-01-01

    The multi-bond dissociation dynamics of oxalyl bromide ((BrCO)2) has been investigated by DFT and CIS calculations. Upon the results, conclusion could be drawn that dissociation of C-Br bond of oxalyl bromide at the ground state (S0) is of barrierless. After the absorption of a photon, (BrCO)2 is excited to the first excited state and one of its C-Br bonds is broken to yield dissociate.

  2. Dissociative Identity Disorder

    Science.gov (United States)

    Schmidt, Tom

    2007-01-01

    Few psychological disorders in the Diagnostic Statistical Manual have generated as much controversy as Dissociative Identity Disorder (DID). For the past 35 years diagnoses of DID, previously referred to as Multiple Personality Disorder (MPD), have increased exponentially, causing various psychological researchers and clinicians to question the…

  3. Pathological Dissociation as Measured by the Child Dissociative Checklist

    Science.gov (United States)

    Wherry, Jeffrey N.; Neil, Debra A.; Taylor, Tamara N.

    2009-01-01

    The component structure of the Child Dissociative Checklist was examined among abused children. A factor described as pathological dissociation emerged that was predicted by participants being male. There also were differences in pathological dissociation between groups of sexually abused and physically abused children. Replication of this factor…

  4. Investigation of photo-dissociation mechanism of methyl bromide with ultra short laser pulses%超短脉冲激光对溴甲烷的光解机理研究

    Institute of Scientific and Technical Information of China (English)

    张瑾; 马建国

    2012-01-01

    Experimental investigation was carried out on the photo-ionization and photo-dissociation channels of methyl bromide by using resonance enhanced multiphoton ionization time-of-flight mass spectrometer arid mass-selected excitation spectra. Then the mass signals were assigned to H+ , CHLm+ (m=0~3), iBr+ (i= 79, 81) and CHm'Br+0n=2; t=79, 81). Two resonant features of CH3+ were also determined. Finally, in the ultraviolet range of 279-287 nm, the dissociation channels of methyl bromide molecule, mainly showing as those of parent molecule, were given and analyzed%文章通过共振增强多光子电离飞行时间质谱和质量选择光电离激发谱,对溴甲烷分子的光电离和光解离通道进行了研究,并对部分碎片离子H+、CHm+(m=0~3)、(')Br+ (i=79,81)和CHm(2)Br+(m=2;i=79,81)的分质量激发谱进行了归属和标识;对CH3+的共振峰进行了确认;最后分析并给出了在279~287 nm紫外光波段内,溴甲烷分子以母体分子的解离通道为主的解离通道.

  5. Histopathology investigation on the Vardar chub (Squalius vardarensis) populations captured from the rivers impacted by mining activities.

    Science.gov (United States)

    Jordanova, Maja; Rebok, Katerina; Dragun, Zrinka; Ramani, Sheriban; Ivanova, Lozenka; Kostov, Vasil; Valić, Damir; Krasnići, Nesrete; Filipović Marijić, Vlatka; Kapetanović, Damir

    2016-07-01

    Many natural freshwater ecosystems, especially in the north eastern Macedonia, are polluted with heavy metals, which are released by active mines. Long-term exposure to high levels of dissolved metals might result in increased metal bioaccumulation in organs of aquatic organisms, and consequently might cause various sub-toxic and toxic effects. The aim of this study was to assess the health of Vardar chub (Squalius vardarensis) inhabiting mining impacted rivers Zletovska and Kriva, in comparison with chub from the reference Bregalnica River. It was done by use of indicators of tissue damage (histopathology of liver and gonads) and general indicators of exposure to environmental stressors (condition factor, organo-somatic indices and external/internal macroscopic lesions). Histological assessment of gonads revealed good reproductive health in all three rivers, indicating high tolerance of gonads to contaminant exposure. Contrary, several external/internal lesions were more pronounced in chub from severely metal contaminated Zletovska River. Prevalence of hepatic lesions was also higher in mining impacted rivers (in Kriva, 70%; in Zletovska, 59%) compared to Bregalnica River (38%). The spectrum of histological lesions observed in chub liver varied from non-specific minor degenerative conditions, such as lymphocyte infiltration, fibrosis, parasites, granulomas and lipidosis, to extensive and/or more severe changes such as bile duct proliferation, necrosis, megalocytosis, light-dark hepatocytes and hepatocytes regeneration. The results of histopathological investigation for all three rivers showed clear signs of water contamination, especially prominent in mining influenced rivers. More research efforts should be devoted to study of environmental conditions and metal contamination in the mining impacted rivers worldwide, especially of their effects on health of local ichthyofauna. PMID:26986024

  6. Histopathology investigation on the Vardar chub (Squalius vardarensis) populations captured from the rivers impacted by mining activities.

    Science.gov (United States)

    Jordanova, Maja; Rebok, Katerina; Dragun, Zrinka; Ramani, Sheriban; Ivanova, Lozenka; Kostov, Vasil; Valić, Damir; Krasnići, Nesrete; Filipović Marijić, Vlatka; Kapetanović, Damir

    2016-07-01

    Many natural freshwater ecosystems, especially in the north eastern Macedonia, are polluted with heavy metals, which are released by active mines. Long-term exposure to high levels of dissolved metals might result in increased metal bioaccumulation in organs of aquatic organisms, and consequently might cause various sub-toxic and toxic effects. The aim of this study was to assess the health of Vardar chub (Squalius vardarensis) inhabiting mining impacted rivers Zletovska and Kriva, in comparison with chub from the reference Bregalnica River. It was done by use of indicators of tissue damage (histopathology of liver and gonads) and general indicators of exposure to environmental stressors (condition factor, organo-somatic indices and external/internal macroscopic lesions). Histological assessment of gonads revealed good reproductive health in all three rivers, indicating high tolerance of gonads to contaminant exposure. Contrary, several external/internal lesions were more pronounced in chub from severely metal contaminated Zletovska River. Prevalence of hepatic lesions was also higher in mining impacted rivers (in Kriva, 70%; in Zletovska, 59%) compared to Bregalnica River (38%). The spectrum of histological lesions observed in chub liver varied from non-specific minor degenerative conditions, such as lymphocyte infiltration, fibrosis, parasites, granulomas and lipidosis, to extensive and/or more severe changes such as bile duct proliferation, necrosis, megalocytosis, light-dark hepatocytes and hepatocytes regeneration. The results of histopathological investigation for all three rivers showed clear signs of water contamination, especially prominent in mining influenced rivers. More research efforts should be devoted to study of environmental conditions and metal contamination in the mining impacted rivers worldwide, especially of their effects on health of local ichthyofauna.

  7. Childhood maltreatment and intimate partner violence in dissociative disorder patients

    Directory of Open Access Journals (Sweden)

    Aliya R. Webermann

    2014-09-01

    Full Text Available Background: Childhood maltreatment (CM is a risk factor for subsequent intimate partner violence (IPV in adulthood, with high rates of retrospectively reported CM among IPV victims and perpetrators. A theorized mechanism of the link between CM and IPV is dissociation. Dissociation may allow perpetrators of violence to remain emotionally distant from their behavior and minimize empathy toward those they victimize, enabling them to commit acts of violence similar to their own experiences. Indeed, elevated rates of dissociation and dissociative disorders (DD have been found among IPV survivors and perpetrators. In addition, in pilot studies, DD clinicians have reported high levels of violent behavior among DD patients. Objective: The present study investigates IPV among DD patients with Dissociative Identity Disorder and Dissociative Disorder Not Otherwise Specified, a group with CM rates of 80–95% and severe dissociative symptoms. Methods: DD clinicians reported on rates of CM and IPV among 275 DD patients in outpatient treatment. DD patients also completed a self-report measure of dissociation. Analyses assessed the associations between CM typologies and IPV, as well as trait dissociation and IPV. Results: Physical and emotional child abuse were associated with physical IPV, and childhood witnessing of domestic violence (DV and childhood neglect were associated with emotional IPV. Conclusions: The present study is the first to provide empirical support for a possible CM to adult IPV developmental trajectory among DD patients. Future research is needed to better understand the link between CM and IPV among those with trauma and DD.

  8. Laser capture.

    Science.gov (United States)

    Potter, S Steven; Brunskill, Eric W

    2012-01-01

    This chapter describes detailed methods used for laser capture microdissection (LCM) of discrete subpopulations of cells. Topics covered include preparing tissue blocks, cryostat sectioning, processing slides, performing the LCM, and purification of RNA from LCM samples. Notes describe the fine points of each operation, which can often mean the difference between success and failure. PMID:22639264

  9. Charge-transport-induced dissociation in donor-bridge-acceptor complexes.

    Science.gov (United States)

    Brisker, Daria; Peskin, Uri

    2008-12-28

    Possible mechanisms for charge-transport-induced dissociation in donor-bridge-acceptor complexes are studied. Two mechanisms for dissociation at the molecular bridge are captured within a simple model of an anharmonic bridge vibration coupled nonlinearly to an electronic degree of freedom. A direct mechanism is associated with vibronic excitations to the nuclear continuum and an alternative dissociation mechanism involves intermediate quasibound vibrational states (Feshbach resonances). The two different mechanisms of charge-transport-induced dissociation are analyzed and their interplay as a function of the system parameters is examined. A parameter regime is suggested where the phenomenon should be experimentally accessible.

  10. Coulomb dissociation in nonrelativistic and relativistic collisions

    International Nuclear Information System (INIS)

    Electromagnetic excitations in the Coulomb field of nuclei have been studied using quantum as well as semiclassical methods. Even at relatively modest incident energies, the Coulomb dissociation cross sections of projectiles with relatively low particle thresholds could be of sizeable order of magnitude. Such a study complements our knowledge about radiative capture processes, which are of interest for nuclear astrophysics. Quite a few questions remain to be answered, like the importance of nuclear interactions for small angle scattering, interference of different multipolarities for triple differentiial cross sections and distortion effects on the three-body final states. In the case of dissociation at relativistic energies it is shown that only for the total cross section both semiclassical and quantim-mechanical methods yield the same results. As an example the Primakoff effect is considered, where in an M1 excitation of ≅ 80 MeV a Λ hyperion is converted into a Σo hyperion by means of the virtual photon field of heavy target nuclei. Virtual photon spectra for all multipolarities can be calculated. This provides a sound basis for the analysis of electromagnetic dissociation experiments at relativistic heavy ion accelerators, like the BEVALAC. 10 figs., 25 refs

  11. Neural Dissociation of Number from Letter Recognition and Its Relationship to Parietal Numerical Processing

    Science.gov (United States)

    Park, Joonkoo; Hebrank, Andrew; Polk, Thad A.; Park, Denise C.

    2012-01-01

    The visual recognition of letters dissociates from the recognition of numbers at both the behavioral and neural level. In this article, using fMRI, we investigate whether the visual recognition of numbers dissociates from letters, thereby establishing a double dissociation. In Experiment 1, participants viewed strings of consonants and Arabic…

  12. Dissociation Energies of Diatomic Molecules

    Institute of Scientific and Technical Information of China (English)

    FAN Qun-Chao; SUN Wei-Guo

    2008-01-01

    Molecular dissociation energies of 10 electronic states of alkali molecules of KH, 7LID, 7LiH, 6LiH, NaK, NaLi and NaRb are studied using the highest three accurate vibrational energies of each electronic state, and an improved parameter-free analytical formula which is obtained starting from the LeRoy-Bernstein vibrational energy expression near the dissociation limit. The results show that as long as the highest three vibrational energies are accurate, the current analytical formula will give accurate theoretical dissociation energies Detheory, which are in excellent agreement with the experimental dissociation energies Dexpte.

  13. Dissociative, depressive, and PTSD symptom severity as correlates of nonsuicidal self-injury and suicidality in dissociative disorder patients.

    Science.gov (United States)

    Webermann, Aliya R; Myrick, Amie C; Taylor, Christina L; Chasson, Gregory S; Brand, Bethany L

    2016-01-01

    The present study investigates whether symptom severity can distinguish patients diagnosed with dissociative identity disorder and dissociative disorder not otherwise specified with a recent history of nonsuicidal self-injury (NSSI) and suicide attempts from those patients without recent self-harm. A total of 241 clinicians reported on recent history of patient NSSI and suicide attempts. Of these clinicians' patients, 221 completed dissociative, depressive, and posttraumatic stress disorder symptomatology measures. Baseline cross-sectional data from a naturalistic and prospective study of dissociative disorder patients receiving community treatment were utilized. Analyses evaluated dissociative, depressive, and posttraumatic stress disorder symptom severity as methods of classifying patients into NSSI and suicide attempt groupings. Results indicated that dissociation severity accurately classified patients into NSSI and suicidality groups, whereas depression severity accurately classified patients into NSSI groups. These findings point to dissociation and depression severity as important correlates of NSSI and suicidality in patients with dissociative disorders and have implications for self-harm prevention and treatment. PMID:26211678

  14. Investigation of CO2 capture in fluid catalytic cracking process%催化裂化实现CO2捕集的技术探讨

    Institute of Scientific and Technical Information of China (English)

    李秋芝; 陈曼桥; 孟凡东; 王龙延

    2012-01-01

    论述了4种碳捕集方法,即燃烧前捕集、氧燃烧捕集、燃烧后捕集和化学链燃烧捕集,得出氧燃烧捕集是比较适合于催化裂化实现CO2捕集的技术.同时,讨论了氧燃烧对再生器效率、旋风分离器效率以及取热器负荷的影响.%Four methods of carbon capture and sequestration are described in this study, including pre-combustion capture, post-combustion capture, oxy-fuel combustion capture and chemical looping combustion capture. Among all of these methods, it is concluded that oxy-fuel combustion capture is a suitable method for fluid-catalytic-cracking CO2 capture. Furthermore, the effect of oxy-fuel combustion on the effectiveness of regenerator and cyclone separator, and the load of catalyst cooler are discussed.

  15. Dissociation Patterns in Evolving Populations

    Science.gov (United States)

    Moreno, F. J.; Hernández, J. A.; Sánchez, F.

    2011-09-01

    The recent explosion and availability of mobility based technologies such as geographic information systems, cell phones equipped with built-in GPS, among others, are a valuable source of spatio-temporal data. However, only recently there have been works focused on identifying movement patterns in groups of moving entities. We focus on a particular movement pattern: dissociation. A dissociation pattern occurs when an entity that was once associated to a population, eventually separated from it and subsequently reintegrated it again. The backwarding and forwarding patterns are a type of dissociation where an entity stays behind or ahead of another entity, respectively. Dissociation really is a diversity generator, so instead avoiding it, taking advantage could be better to prevent premature convergence in evolutionary algorithms. In this work, we present formal mathematical definitions for these patterns. A discussion of how to use dissociation patterns as a mean to preserve diversity in evolutionary algorithms is also shown.

  16. Charmonium dissociation by mesons in heavy-ion collisions

    OpenAIRE

    Lykasov, Gennady I.; Cassing, Wolfgang

    2006-01-01

    The charmonium dissociation by mesons in relativistic heavy-ion reactions is analyzed within the Regge approach. It is shown that the inclusion of the initial and final state interactions in the dissociation of J/Psi to bar{D}* D* close to threshold increases the cross section significantly and can not be neglected in comparison to the total dissociation rate. This is due to resonant bar{D}*-D* interactions in sqrt{s} close to the masses of the Psi(4.04) and Psi(4.16) mesons. We also investig...

  17. Desire to dissociate: implications for problematic drinking in college students with childhood or adolescent sexual abuse exposure.

    Science.gov (United States)

    Klanecky, Alicia; McChargue, Dennis E; Bruggeman, Lindsay

    2012-01-01

    Alcohol use to replace inadequate dissociative capabilities, or chemical dissociation, has been linked to college students with childhood or adolescent sexual abuse (CASA). Insofar as CASA-exposed persons experience a restricted range of dissociative capabilities, what remains relatively unclear is whether some desire to achieve greater dissociative experiences. Nonclinical levels of dissociative tendencies have positively predicted alcohol-related blackouts in CASA-exposed students, and dissociation mediated the relations between CASA and intoxication frequency. Although alcohol (similar to dissociation) can reduce physiological and psychological responses to stress, alcohol consumption may be prompted by a desire to dissociate rather than inadequate dissociative tendencies alone. To investigate this interpretation of the chemical dissociation phenomenon, researchers examined the mediating potential of dissociative tendencies using the Dissociative Experiences Scale-II (DES-II) as well as the desire to dissociate concept (ie, a modified version of the DES-II) on the relations between CASA exposure and problematic alcohol use in college students (N = 298). Results indicated that dissociation scores did not replicate previous mediation findings whereas desire to dissociate scores fully mediated CASA exposure and problematic alcohol use. Implications of the results are discussed including possible reasons why prior mediation results were not replicated as well as links to experiential avoidance.

  18. Dissociative Tendencies and Traffic Incidents

    Directory of Open Access Journals (Sweden)

    Valle, Virginia

    2012-01-01

    Full Text Available This paper analyses the relationship between dissociative experiences and road traffic incidents (crashes and traffic tickets in drivers (n=295 from Mar del Plata (Argentina city. A self-report questionnaire was applied to assess traffic crash involvement and sociodemographic variables. Dissociative tendencies were assessed by a modified version of the DES scale. To examine differences in DES scores tests of the difference of means were applied. Drivers who reported to be previously involved in traffic incidents obtained higher puntuations in the dissociative experiences scale than drivers who did not report such events. This result is observed for the total scale and for the three sub-scales (absorption, amnesia and depersonalization. However, differences appeared mainly for minor damage collisions. Further studies are needed to evaluate the role of dissociative tendencies as a risk factor in road traffic safety.

  19. Single Electron Capture in Slow Collisions of Doubly Charged Ions with Dinuclear Molecules

    Directory of Open Access Journals (Sweden)

    Hannspeter Winter

    2002-03-01

    Full Text Available Abstract: We have performed translational-spectroscopical measurements on single electron capture (SEC by impact of slow (impact energy ≤ 1 keV doubly charged ions on dinuclear molecules. For impact of C2+ and N2+ ions the influence of their metastable fractions on the SEC probability has been studied. For impact of 4He2+ on O2 and CO direct and dissociative SEC have been investigated. For all collision systems studied the principal SEC channels can be explained by the "reaction window" which results from multichannel-Landau-Zener treatments for the collisional quasimolecules.

  20. Feasibility of large-scale phosphoproteomics with higher energy collisional dissociation fragmentation

    DEFF Research Database (Denmark)

    Nagaraj, Nagarjuna; D'Souza, Rochelle C J; Cox, Juergen;

    2010-01-01

    Mass spectrometry (MS)-based proteomics now enables the analysis of thousands of phosphorylation sites in single projects. Among a wide range of analytical approaches, the combination of high resolution MS scans in an Orbitrap analyzer with low resolution MS/MS scans in a linear ion trap has prov...... large-scale phosphoproteome analysis alongside collisional induced dissociation, (CID) and electron capture/transfer dissociation (ECD/ETD)....

  1. Some remarks on the selection of exit channels in the theoretical description of dissociative recombination

    Directory of Open Access Journals (Sweden)

    Guberman Steven L.

    2015-01-01

    Full Text Available The need for the careful selection of dissociative routes for inclusion in the theoretical calculation of accurate dissociative recombination (DR cross sections and rate constants is discussed. For total energies corresponding to the sum of the “free” electron energy plus the ion vibrational energy, all neutral diabatic curves that fall between or near the turning points of the highest Rydberg vibrational levels with the same electronic symmetry need to be included in the calculation. This is especially the case if there are several dissociative routes of the same electronic symmetry that satisfy this criterion. Also, care must be exercised in the exclusion of dissociative routes having relatively small electron capture widths. Examples from theoretical studies of the dissociative recombination (DR of N2+ are used as illustrations.

  2. Investigation for the puzzling abundance pattern of the neutron-capture elements in the ultra metal-poor star: CS 30322-023

    CERN Document Server

    Cui, W Y; Ma, K; Zhang, L

    2007-01-01

    The s-enhanced and very metal-poor star CS 30322-023 shows a puzzling abundance pattern of the neutron-capture elements, i.e. several neutron-capture elements such as Ba, Pb etc. show enhancement, but other neutron-capture elements such as Sr, Eu etc. exhibit deficient with respect to iron. The study to this sample star could make people gain a better understanding of s- and r-process nucleosynthesis at low metallicity. Using a parametric model, we find that the abundance pattern of the neutron-capture elements could be best explained by a star that was polluted by an AGB star and the CS 30322-023 binary system formed in a molecular cloud which had never been polluted by r-process material. The lack of r-process material also indicates that the AGB companion cannot have undergone a type-1.5 supernova, and thus must have had an initial mass below 4.0M$_\\odot$, while the strong N overabundance and the absence of a strong C overabundance indicate that the companion's initial mass was larger than 2.0M$_\\odot$. Th...

  3. Pesquisa de Trichinella spiralis em roedores capturados na zona portuária de Santos An investigation of Trichinella spiralis in rodents captured in the Santos dock area

    Directory of Open Access Journals (Sweden)

    Gil Vianna Paim

    1979-03-01

    Full Text Available Examinaram-se 594 diafragmas de roedores capturados na zona portuária de Santos tendo em vista a procura de larvas de Trichinella spiralis. Todos os diafragmas examinados estavam negativos.Five hundred and ninety-four diaphragms of rodents captured in the Santos dock area were examined for Trichinella spiralis. The results of the examinations were negative.

  4. Dissociative experiences and dissociative minds: Exploring a nomological network of dissociative functioning.

    Science.gov (United States)

    Schimmenti, Adriano

    2016-01-01

    In this study, the psychometric properties of the Dissociative Experiences Scale-II (DES-II) were tested in a sample of Italian adults, and a nomological network of dissociative functioning based on current psychodynamic research was examined. A total of 794 participants (55% females) ranging in age from 18 to 64 completed the DES-II and other measures of theory of mind, alexithymia, attachment style, and empathy. The Italian translation of the DES-II showed high internal consistency, adequate item-to-scale homogeneity, and good split-half reliability. A single-factor solution including the 8 items of pathological dissociation (DES-T) adequately fit the data. Participants who reported higher levels of dissociative experiences showed significantly lower scores on theory of mind and empathy than other participants. They also showed significantly higher scores on alexithymia, preoccupied attachment, and fearful attachment. Results of the study support the view that people who suffer from severe dissociative experiences may also have difficulties mentalizing and regulating affects and that they may feel uncomfortable in close relationships because they have a negative view of the self. This can inform clinical work with dissociative individuals, who could benefit from therapies that consider their potential problems with mentalization, empathy, affect regulation, and attachment.

  5. Dynamics of unimolecular dissociation of silylene

    Science.gov (United States)

    NoorBatcha, I.; Raff, Lionel M.; Thompson, Donald L.; Viswanathan, R.

    1986-04-01

    The semiempirical valence-bond surface formulated by Viswanathan et al. [J. Phys. Chem. 89, 1428 (1985)] for the unimolecular dissociation of SiH2 has been fitted to an analytical function of the type suggested by Murrell and co-workers [J. Phys. Chem. 88, 4887 (1984)]. The fitted surface accurately represents most of the experimental and CI results. The dynamics of the unimolecular dissociation of SiH2 to form Si and H2 have been investigated by classical trajectory methods on this fitted surface. The effect of describing the initial state of the molecule using normal and local mode approximations has been studied. In spite of the presence of the heavier atom, no bond or mode specificity is observed. The product energy distribution is found to be statistical. Using the RRK model, the high-pressure limiting rate coefficient is found to be k(T,∞)=3.38×1012 exp[-61.6 kcal mol-1/RT] s-1, which is less than the dissociation rate for SiH4. This has been attributed to the higher activation energy for SiH2 and to a statistical factor.

  6. Unusual dissociative adsorption of H2 over stoichiometric MgO thin film supported on molybdenum

    Science.gov (United States)

    Song, Zhenjun; Xu, Hu

    2016-03-01

    The dissociation of a hydrogen molecule on perfect MgO(0 0 1) films deposited on Mo(0 0 1) surface is investigated systematically using periodic density-functional theory (DFT) method. The unusual adsorption behavior of heterolytic dissociative hydrogen molecule at neighboring surface oxygen and surface magnesium, is clarified here. To our knowledge, this heterolytic dissociative state has never been found before on bulk MgO(0 0 1) or metal supported perfect MgO(0 0 1) surfaces (without low coordination sites). The results confirm that, in all cases, the heterolytic dissociation is much more favorable that homolytic dissociation both energetically and kinetically. The energy differences between two dissociative states are very large, in the range of 1.1 eV-1.5 eV for Mo supported 1 ML-3 ML oxide films, which inhibits, to a great extent, the homolytic dissociation in the respect of reaction thermodynamics. The energy barriers of heterolytic dissociation are about 0.5 eV, much lower that the barrier of homolytic dissociation. The transformation reaction on thick films will be more endothermic. Passing through heterolytic dissociation state has significantly lowered the reaction heat and the energy barrier for obtaining homolytic dissociative structure, which makes the homolytic splitting of H2 easier on 2 ML oxide films. The results provide a useful strategy for enhancing the reactivity of the nonreducible metal oxide.

  7. Theoretical investigation on the bond dissociation enthalpies of phenolic compounds extracted from Artocarpus altilis using ONIOM(ROB3LYP/6-311++G(2df,2p):PM6) method

    Science.gov (United States)

    Thong, Nguyen Minh; Duong, Tran; Pham, Linh Thuy; Nam, Pham Cam

    2014-10-01

    Theoretical calculations have been performed to predict the antioxidant property of phenolic compounds extracted from Artocarpus altilis. The Osbnd H bond dissociation enthalpy (BDE), ionization energy (IE), and proton dissociation enthalpy (PDE) of the phenolic compounds have been computed. The ONIOM(ROB3LYP/6-311++G(2df,2p):PM6) method is able to provide reliable evaluation for the BDE(Osbnd H) in phenolic compounds. An important property of antioxidants is determined via the BDE(Osbnd H) of those compounds extracted from A. altilis. Based on the BDE(Osbnd H), compound 12 is considered as a potential antioxidant with the estimated BDE value of 77.3 kcal/mol in the gas phase.

  8. Multiphoton dissociative ionization of CS+

    Science.gov (United States)

    Rajput, Jyoti; Jochim, Bethany; Zohrabi, M.; Betsch, K. J.; Ablikim, U.; Berry, Ben; Severt, T.; Summers, A. M.; Armstrong, G. S. J.; Esry, B. D.; Carnes, K. D.; Ben-Itzhak, I.

    2015-05-01

    We have studied the dissociative photoionization of a CS+ molecular ion beam in the strong-field regime using <50 fs IR laser pulses (λ ~ 790 nm) from a 10 kHz, ~2 mJ (per pulse) Ti:Sapphire laser system. A coincidence three-dimensional momentum imaging method was used to measure all ions and neutrals formed during this multiphoton process. Two prominent channels were observed: charge-symmetric dissociation, yielding C+ + S+, and charge-asymmetric dissociation, yielding C + S2+. The differences between these two channels with reference to their relative production probability, energetics, and angular distributions is the focus of this work. This work was supported by the Chemical Sciences, Geosciences, and Biosciences Division, Office of Basic Energy Sciences, Office of Science, U.S. Department of Energy. BJ is also supported by DOE-SCGF (DE-AC05-06OR23100).

  9. CO dissociation on Ni: The effect of steps and of nickel carbonyl

    DEFF Research Database (Denmark)

    Engbæk, Jakob; Lytken, Ole; Nielsen, Jane Hvolbæk;

    2008-01-01

    The dissociation of CO was investigated on a stepped Ni(141313) crystal. The experiments show that the monoatomic steps completely dominate the dissociation of CO on the nickel surface. The activation energy for dissociation of CO along the steps is measured at 500 K to be 150 kJ/mol in the press......The dissociation of CO was investigated on a stepped Ni(141313) crystal. The experiments show that the monoatomic steps completely dominate the dissociation of CO on the nickel surface. The activation energy for dissociation of CO along the steps is measured at 500 K to be 150 k......J/mol in the pressure range 1-7 X 10(-6) mbar CO. Poisoning the steps by preadsorbing 0.05 ML sulfur, the dissociation rate was reduced by more than a factor of 50 clearly providing evidence for the step activity. Furthermore, by deliberately adding remote amounts of nickel carbonyl (0.25%) to the CO gas, it is shown...... that the dissociation probability of CO is increased by a factor of 60 compared to when using a purified CO gas. This clearly demonstrates the importance of avoiding nickel carbonyl when CO dissociation is studied. CO dissociation is important because it is believed to be the rate limiting step in methanation...

  10. Determination of the dissociation constants of polyepoxysuccinic acid

    Institute of Scientific and Technical Information of China (English)

    Lihua ZHANG; Zhiliang ZHU; Yanling QIU; Ronghua ZHANG; Jianfu ZHAO

    2008-01-01

    The dissociation constants of polyepoxysucci-nic acid (PESA) were investigated in this study. Based on the potentiometric titration and the BEST program, the dissociation constants of PESA were determined. Considering the complexity of the dissociation of PESA in aqueous solution, several models were constructed to simulate the dissociation process of PESA. By compar-ison, the dissociation constants of PESA were obtained with model 4. The species distribution of PESA in aque-ous solution as a function of pH was also presented according to the experimental and calculation results. It showed that the H2L model with five basic structure units to describe the dissociation of PESA was reasonable, and the relevant constants had less error and better matching between the experimental and calculation data. The cor-responding values of pKai were 4.68 and 4.92, respectively, for H2L at 35℃ with ionic strength of 0.1 mol/L.

  11. Differences in brain 5-HT transporter dissociation rates among animal species

    Energy Technology Data Exchange (ETDEWEB)

    Erreboe, I.; Plenge, P.; Mellerup, E.T. [Univ. of Copenhagen, Dept. of Pharmacology, Lab. of Neuropsychiatry, Copenhagen (Denmark)

    1995-06-01

    The potential of using receptor-ligand dissociation rates as a model for investigating molecular changes in receptors was tested using the dissociation of [{sup 3}H]citalopram, [{sup 3}H]paroxetine and [{sup 3}H]imipramine from the brain 5-HT transporter of four different species (mouse, rat, pig and man). Since the dissociation rates of each of the three ligands differed in most of the species investigated, receptor-ligand dissociation rate constants would seem to be a sensitive measure of receptor conformation. The model could be useful in the search of structural variation in receptors whether attributable to genetic factors or to posttranslational modification. (au) (12 refs.).

  12. Dissociation of deuteron, 6He and 11Be from Coulomb dissociation reaction cross-section

    Indian Academy of Sciences (India)

    Ramendra Nath Majumdar

    2008-05-01

    The fragmentation of deuteron, 6He and 11Be have been studied during interaction with the 208Pb nucleus at various projectile energies. The Coulomb dissociation cross-sections and the momentum distribution of the break-up fragments have been analysed within the framework of the direct fragmentation model. The post-acceleration effect of deuteron during break-up and the halo structures of both the 6He and 11Be have been investigated.

  13. Study of SI engine fueled with methanol vapor and dissociation gas based on exhaust heat dissociating methanol

    International Nuclear Information System (INIS)

    Highlights: • The full load power decreases successively from gasoline engine, methanol vapor engine to dissociated methanol engine. • Both power and thermal efficiency of dissociated methanol engine can be improved by boosting pressure. • The conversion efficiency of recovered exhaust gas energy is largely influenced by the BMEP. • At the same BMEP, dissociated methanol engine has higher thermal efficiency than methanol vapor engine and gasoline engine. - Abstract: To improve the fuel efficiency of internal combustion (IC) engine and also achieve the goal of direct usage of methanol fuel on IC engine, an approach of exhaust heat dissociating methanol was investigated, which is a kind of method for IC engine exhaust heat recovery (EHR). A bottom cycle system is coupled with the IC engine exhaust system, which uses the exhaust heat to evaporate and dissociate methanol in its catalytic cracker. The methanol dissociation gas (including methanol vapor) is used as the fuel for IC engine. This approach was applied to both naturally aspirated (NA) engine and turbocharged engine, and the engine performance parameters were predicted by the software GT-power under various kinds of operating conditions. The improvement to IC engine performance and the conversion efficiency of recovered exhaust gas energy can be evaluated by comparing the performances of IC engine fueled with various kinds of fuels (or their compositions). Results show that, from gasoline engine, methanol vapor engine to dissociated methanol engine, the full load power decreases successively in the entire speed area due to the declining of volumetric efficiency, while it is contrary in the thermal efficiency at the same brake mean effective pressure (BMEP) level because of the improving of fuel heating value. With the increase of BMEP, the conversion efficiency of recovered exhaust gas energy is promoted. All those results indicate that the approach of exhaust heat dissociating methanol has large

  14. Dissociative symptoms and dissociative disorders comorbidity in obsessive compulsive disorder: Symptom screening, diagnostic tools and reflections on treatment

    OpenAIRE

    Belli, Hasan

    2014-01-01

    Borderline personality disorder, conversion disorder and obsessive compulsive disorder frequently have dissociative symptoms. The literature has demonstrated that the level of dissociation might be correlated with the severity of obsessive compulsive disorder (OCD) and that those not responding to treatment had high dissociative symptoms. The structured clinical interview for DSM-IV dissociative disorders, dissociation questionnaire, somatoform dissociation questionnaire and dissociative expe...

  15. Molecular Dissociation Induced by Electron Collisions

    Science.gov (United States)

    Wolf, Andreas

    2009-05-01

    Free electrons can efficiently break molecules or molecular ions in low-energy collisions by the processes of dissociative recombination or attachment. These processes make slow electrons efficient chemical agents in many environments. For dissociative recombination, in particular, studies of the underlying reaction paths and mechanisms have become possible on a uniquely elementary level in recent years both for theory and experiment. On the experimental side, collisions can be prepared at resolved collision energies down to the meV (10 Kelvin) level, increasingly gaining control also over the initial molecular quantum level, and individual events are detected and kinematically analyzed by fast-beam coincidence fragment imaging. Experiments are reported from the ion cooler ring TSR in Heidelberg. Stored beams of molecular ions cooled in their external and internal degrees of freedom are collinearly merged with intense and cold electron beams from cryogenic GaAs photocathodes, recently shown to yield fast cooling of the center-of-mass motion also for heavy and correspondingly slow molecular ion beams. To reconstruct the molecular fragmentation events multiparticle imaging can now be used systematically with collision energies set a wide range, especially aiming at specific electron capture resonances. Thus, for CF^+ it is found that the electronic state of the C fragment (^3P or ^1D) switches resonantly when the collision energy is changed by only a small fraction. As a new powerful tool, an energy-sensitive multi-strip surface-barrier detector (EMU) has been set up to measure with near-unity efficiency the masses of all fragments together with their hit positions in high-multiplicity events. Among many uses, this device allows internal molecular excitations to be derived for individual chemical channels in polyatomic fragmentation. New results will be presented in particular on the breakup of the hydronium ion (D3O^+).

  16. Electron capture and stellar collapse

    International Nuclear Information System (INIS)

    In order, to investigate the function of electron capture in the phenomenon of pre-supernovae gravitacional collapse, an hydrodynamic caculation was carried out, coupling capture, decay and nuclear reaction equation system. A star simplified model (homogeneous model) was adopted using fermi ideal gas approximation for tthe sea of free electrons and neutrons. The non simplified treatment from quasi-static evolution to collapse is presented. The capture and beta decay rates, as wellas neutron delayed emission, were calculated by beta decay crude theory, while the other reaction rates were determined by usual theories. The preliminary results are presented. (M.C.K.)

  17. Experimental investigation of the complete inner shell hydration energies of Ca2+: threshold collision-induced dissociation of Ca(2+)(H2O)x Complexes (x = 2-8).

    Science.gov (United States)

    Carl, Damon R; Armentrout, P B

    2012-04-19

    The sequential bond energies of Ca(2+)(H(2)O)(x) complexes, where x = 1-8, are measured by threshold collision-induced dissociation (TCID) in a guided ion beam tandem mass spectrometer. From an electrospray ionization source that produces an initial distribution of Ca(2+)(H(2)O)(x) complexes where x = 6-8, complexes down to x = 2 are formed using an in-source fragmentation technique. Ca(2+)(H(2)O) cannot be formed in this source because charge separation into CaOH(+) and H(3)O(+) is a lower energy pathway than simple water loss from Ca(2+)(H(2)O)(2). The kinetic energy dependent cross sections for dissociation of Ca(2+)(H(2)O)(x) complexes, where x = 2-9, are examined over a wide energy range to monitor all dissociation products and are modeled to obtain 0 and 298 K binding energies. Analysis of both primary and secondary water molecule losses from each sized complex provides thermochemistry for the sequential hydration energies of Ca(2+) for x = 1-8 and the first experimental values for x = 1-4. Additionally, the thermodynamic onsets leading to the charge separation products from Ca(2+)(H(2)O)(2) and Ca(2+)(H(2)O)(3) are determined for the first time. Our experimental results for x = 1-6 agree well with previously calculated binding enthalpies as well as quantum chemical calculations performed here. Agreement for x = 1 is improved when the basis set on calcium includes core correlation.

  18. Threshold collision-induced dissociation of hydrated magnesium: experimental and theoretical investigation of the binding energies for Mg(2+)(H2O)x complexes (x=2-10).

    Science.gov (United States)

    Carl, Damon R; Armentrout, Peter B

    2013-03-18

    The sequential bond energies of Mg(2+)(H2O)x complexes, in which x=2-10, are measured by threshold collision-induced dissociation in a guided ion beam tandem mass spectrometer. From an electrospray ionization source that produces an initial distribution of Mg(2+)(H2O)x complexes in which x=7-10, complexes down to x=3 are formed by using an in-source fragmentation technique. Complexes smaller than Mg(2+)(H2O)3 cannot be formed in this source because charge separation into MgOH(+)(H2O) and H3O(+) is a lower-energy pathway than simple water loss from Mg(2+)(H2O)3. The kinetic energy dependent cross sections for dissociation of Mg(2+)(H2O)x complexes, in which x=3-10, are examined over a wide energy range to monitor all dissociation products and are modeled to obtain 0 and 298 K binding energies. Analysis of both primary and secondary water molecule losses from each sized complex provides thermochemistry for the sequential hydration energies of Mg(2+) for x=2-10 and the first experimental values for x=2-4. Additionally, the thermodynamic onsets leading to the charge-separation products from Mg(2+)(H2O)3 and Mg(2+)(H2O)4 are determined for the first time. Our experimental results for x=3-7 agree well with quantum chemical calculations performed here and previously calculated binding enthalpies, as well as previous measurements for x=6. The present values for x=7-10 are slightly lower than previous experimental results and theory, but within experimental uncertainties.

  19. Hydrogen dissociation on metal surfaces

    NARCIS (Netherlands)

    Wijzenbroek, M.

    2016-01-01

    Dissociative chemisorption is an important reaction step in many catalytic reactions. An example of such a reaction is the Haber-Bosch process, which is used commercially to produce ammonia, an important starting material in the production of fertilisers. In theoretical descriptions of such chemical

  20. [Gender differences in dissociative disorders].

    Science.gov (United States)

    Spitzer, C; Freyberger, H J

    2008-01-01

    The relationship between mental illness, on the one hand, and sex and gender, on the other hand, has received interest since the beginning of medicine in antique times. A prototypical example of a seemingly woman-specific disease is hysteria. The term itself, which is derived from the Greek word for womb, denotes a psychosexual dimension comprising the current attitude towards sexuality and the dominating gender relationship. In addition, the colourful history of hysteria indicates that illness is not exclusively determined by biological factors, but also significantly by socio-cultural influences, for example in the treatment of hysterical women. Even nowadays, there is a wide-spread belief that dissociative symptoms and disorders, which have succeeded hysteria in current classification systems, are predominantly seen in women. However, empirical studies in the general population and in different clinical samples using sound instruments have indicated that dissociative symptoms do not differ between the genders. The seemingly dominance of dissociative disorders in women may also depend on the socio-cultural context, because men with dissociative disorders usually do not enter the general health system, but rather the legal system, i.e. they can be found in jail or forensic institutions. PMID:18185968

  1. Dissociative disorders in DSM-5

    NARCIS (Netherlands)

    Spiegel, David; Loewenstein, Richard J.; Lewis-Fernandez, Roberto; Sar, Vedat; Simeon, Daphne; Vermetten, Eric; Cardena, Etzel; Dell, Paul F.

    2011-01-01

    Background: We present recommendations for revision of the diagnostic criteria for the Dissociative Disorders (DDs) for DSM-5. The periodic revision of the DSM provides an opportunity to revisit the assumptions underlying specific diagnoses and the empirical support, or lack of it, for the defining

  2. DISSOCIATIVE DISORDERS IN DSM-5

    NARCIS (Netherlands)

    Spiegel, David; Loewenstein, Richard J.; Lewis-Fernandez, Roberto; Sar, Vedat; Simeon, Daphne; Vermetten, Eric; Cardena, Etzel; Dell, Paul F.

    2011-01-01

    Background: We present recommendations for revision of the diagnostic criteria for the Dissociative Disorders (DDs) for DSM-5. The periodic revision of the DSM provides an opportunity to revisit the assumptions underlying specific diagnoses and the empirical support, or lack of it, for the defining

  3. Direct Capture at Low Energies

    OpenAIRE

    Balogh, W.; Bieber, R.; Oberhummer, H.; Rauscher, T.; Kratz, K.-L.; Mohr, P; Staudt, G.; Sharma, M. M.

    1994-01-01

    The importance of direct capture for (n,$\\gamma$)--reactions on intermediate-- and heavy--mass target nuclei occuring in the s-- and r--process is investigated. It is shown that the direct mechanism is non--negligible for magic and neutron rich target nuclei. For some double magic and neutron rich nuclei in the r--process direct capture is even the dominant reaction mechanism.

  4. Dissociating Prediction Failure: Considerations from Music Perception

    DEFF Research Database (Denmark)

    Ross, Suzi; Hansen, Niels Christian

    2016-01-01

    Dissociating Prediction Failure: Considerations from Music Perception The Journal of Neuroscience, 16 March 2016, 36(11): 3103-3105;......Dissociating Prediction Failure: Considerations from Music Perception The Journal of Neuroscience, 16 March 2016, 36(11): 3103-3105;...

  5. Predicting three types of dissociation in female survivors of intimate partner violence.

    Science.gov (United States)

    Fleming, C J Eubanks; Resick, Patricia A

    2016-01-01

    Previous research suggests that studying the effect of dissociation is particularly important in survivors of intimate partner violence because of the risk of revictimization. The current study investigated demographic variables, child and current abuse characteristics, coping style, and cognitive distortions as predictors of peritraumatic, trait, and posttraumatic stress disorder (PTSD)-related dissociation in a sample of female intimate partner violence survivors. The sample consisted of 372 women, the majority African American, with an average age of 34.41 years (SD = 8.09). Peritraumatic dissociation was significantly predicted by child physical abuse, current abuse injury, cognitive distortions about safety, and problem disengagement coping. Trait dissociation was significantly predicted by minority race, personal income, and cognitive distortions about safety and self-worth. PTSD-related dissociation was significantly predicted by cognitive distortions about self-worth, problem and emotion disengagement coping, and peritraumatic dissociation. In the models predicting both trait and PTSD-related dissociation, abuse characteristics significantly predicted dissociation until the entry of cognitive variables into the model. The analysis indicated a significant indirect effect of cognitive distortions on the relationship between current sexual aggression and trait dissociation. Results also suggested that there were indirect effects of both cognitive distortions and peritraumatic dissociation on the relationships between current psychological abuse/injury and PTSD-related dissociation. Findings point to the importance of cognitions in the development and maintenance of dissociation and suggest that treatments designed to help clients accept and process traumatic events may help reduce dissociation and in turn prevent future revictimization. PMID:26274868

  6. Threshold collision-induced dissociation of Sr(2+)(H(2)O)(x) complexes (x=1-6): An experimental and theoretical investigation of the complete inner shell hydration energies of Sr(2+).

    Science.gov (United States)

    Carl, D R; Chatterjee, B K; Armentrout, P B

    2010-01-28

    The sequential bond energies of Sr(2+)(H(2)O)(x) complexes, where x=1-6, are determined by threshold collision-induced dissociation using a guided ion beam tandem mass spectrometer equipped with an electrospray ionization source. The electrospray source produces an initial distribution of Sr(2+)(H(2)O)(x) complexes, where x=6-9. Smaller Sr(2+)(H(2)O)(x) complexes, where x=1-5, are accessed using a recently developed in-source fragmentation technique that takes place in the high pressure region of a rf-only hexapole ion guide. This work constitutes the first experimental study for the complete inner shell of any multiply charged ion. The kinetic energy dependent cross sections are determined over a wide energy range to monitor all possible dissociation products and are modeled to obtain 0 and 298 K binding energies for loss of a single water molecule. These binding energies decrease monotonically for the Sr(2+)(H(2)O) complex to Sr(2+)(H(2)O)(6). Our experimental results agree well with previous literature results obtained by equilibrium and kinetic studies for x=5 and 6. Because there has been limited theory for the hydration of Sr(2+), we also present an in-depth theoretical study on the energetics of the Sr(2+)(H(2)O)(x) systems by employing several levels of theory with multiple effective core potentials for Sr and different basis sets for the water molecules.

  7. Dissociating Attention Effects from Categorical Perception with ERP Functional Microstates

    Science.gov (United States)

    Dering, Benjamin; Donaldson, David I.

    2016-01-01

    When faces appear in our visual environment we naturally attend to them, possibly to the detriment of other visual information. Evidence from behavioural studies suggests that faces capture attention because they are more salient than other types of visual stimuli, reflecting a category-dependent modulation of attention. By contrast, neuroimaging data has led to a domain-specific account of face perception that rules out the direct contribution of attention, suggesting a dedicated neural network for face perception. Here we sought to dissociate effects of attention from categorical perception using Event Related Potentials. Participants viewed physically matched face and butterfly images, with each category acting as a target stimulus during different blocks in an oddball paradigm. Using a data-driven approach based on functional microstates, we show that the locus of endogenous attention effects with ERPs occurs in the N1 time range. Earlier categorical effects were also found around the level of the P1, reflecting either an exogenous increase in attention towards face stimuli, or a putative face-selective measure. Both category and attention effects were dissociable from one another hinting at the role that faces may play in early capturing of attention before top-down control of attention is observed. Our data support the conclusion that certain object categories, in this experiment, faces, may capture attention before top-down voluntary control of attention is initiated. PMID:27657921

  8. The relationship of problematic internet use with dissociation among South Korean internet users.

    Science.gov (United States)

    Lee, Tae Kyung; Roh, Sungwon; Han, Joo Hyun; Park, Se Jin; Soh, Min A; Han, Doug Hyun; Shaffer, Howard J

    2016-07-30

    This study examined patterns of problematic internet use (PIU) among South Korean internet users to investigate the association between PIU and dissociative experiences. Five hundred and eight participants between 20 and 49 years old were recruited through an online panel survey. Using logistic regression analysis with PIU as the dependent variable, we observed that the participants with PIU were more likely to have alcohol-related behaviors or problems, higher levels of perceived stress, and dissociative experiences. Participants' scores on the Korean version of the Dissociative Experiences Scale were positively correlated with the severity of PIU. Individuals with PIU and dissociation had more severe PIU and more severe mental-health problems than those with PIU but without dissociation. These findings suggest that treatment programs for persons with PIU should focus on helping them tolerate negative affect and increase their level of awareness to prevent the occurrence of dissociative experiences. PMID:27156026

  9. Ion Mobility Spectrometry Reveals Duplex DNA Dissociation Intermediates

    Science.gov (United States)

    Burmistrova, Anastasia; Gabelica, Valérie; Duwez, Anne-Sophie; De Pauw, Edwin

    2013-11-01

    Electrospray ionization (ESI) soft desolvation is widely used to investigate fragile species such as nucleic acids. Tandem mass spectrometry (MS/MS) gives access to the gas phase energetics of the intermolecular interactions in the absence of solvent, by following the dissociation of mass-selected ions. Ion mobility mass spectrometry (IMS) provides indications on the tridimensional oligonucleotide structure by attributing a collision cross section (CCS) to the studied ion. Electrosprayed duplexes longer than eight bases pairs retain their helical structure in a solvent-free environment. However, the question of conformational changes under activation in MS/MS studies remains open. The objective of this study is to probe binding energetics and characterize the unfolding steps occurring prior to oligonucleotide duplex dissociation. Comparing the evolution of CCS with collision energy and breakdown curves, we characterize dissociation pathways involved in CID-activated DNA duplex separation into single strands, and we demonstrate here the existence of stable dissociation intermediates. At fixed duplex length, dissociation pathways were found to depend on the percentage of GC base pairs and on their position in the duplex. Our results show that pure GC sequences undergo a gradual compaction until reaching the dissociation intermediate: A-helix. Mixed AT-GC sequences were found to present at least two conformers: a classic B-helix and an extended structure where the GC tract is a B-helix and the AT tract(s) fray. The dissociation in single strands takes place from both conformers when the AT base pairs are enclosed between two GC tracts or only from the extended conformer when the AT tract is situated at the end(s) of the sequence.

  10. Sulfur Dioxide Capture by Heterogeneous Oxidation on Hydroxylated Manganese Dioxide.

    Science.gov (United States)

    Wu, Haodong; Cai, Weimin; Long, Mingce; Wang, Hairui; Wang, Zhiping; Chen, Chen; Hu, Xiaofang; Yu, Xiaojuan

    2016-06-01

    Here we demonstrate that sulfur dioxide (SO2) is efficiently captured via heterogeneous oxidation into sulfate on the surface of hydroxylated manganese dioxide (MnO2). Lab-scale activity tests in a fluidized bed reactor showed that the removal efficiency for a simulated flue gas containing 5000 mg·Nm(-3) SO2 could reach nearly 100% with a GHSV (gas hourly space velocity) of 10000 h(-1). The mechanism was investigated using a combination of experimental characterizations and theoretical calculations. It was found that formation of surface bound sulfate proceeds via association of SO2 with terminal hydroxyls. Both H2O and O2 are essential for the generation of reactive terminal hydroxyls, and the indirect role of O2 in heterogeneous SO2 oxidation at low temperature was also revealed. We propose that the high reactivity of terminal hydroxyls is attributed to the proper surface configuration of MnO2 to adsorb water with degenerate energies for associative and dissociative states, and maintain rapid proton dynamics. Viability analyses suggest that the desulfurization method that is based on such a direct oxidation reaction at the gas/solid interface represents a promising approach for SO2 capture. PMID:27123922

  11. Coulomb dissociation of N,2120

    Science.gov (United States)

    Röder, Marko; Adachi, Tatsuya; Aksyutina, Yulia; Alcantara, Juan; Altstadt, Sebastian; Alvarez-Pol, Hector; Ashwood, Nicholas; Atar, Leyla; Aumann, Thomas; Avdeichikov, Vladimir; Barr, M.; Beceiro, Saul; Bemmerer, Daniel; Benlliure, Jose; Bertulani, Carlos; Boretzky, Konstanze; Borge, Maria J. G.; Burgunder, G.; Caamaño, Manuel; Caesar, Christoph; Casarejos, Enrique; Catford, Wilton; Cederkäll, Joakim; Chakraborty, S.; Chartier, Marielle; Chulkov, Leonid; Cortina-Gil, Dolores; Crespo, Raquel; Datta Pramanik, Ushasi; Diaz-Fernandez, Paloma; Dillmann, Iris; Elekes, Zoltan; Enders, Joachim; Ershova, Olga; Estrade, A.; Farinon, F.; Fraile, Luis M.; Freer, Martin; Freudenberger, M.; Fynbo, Hans; Galaviz, Daniel; Geissel, Hans; Gernhäuser, Roman; Göbel, Kathrin; Golubev, Pavel; Gonzalez Diaz, D.; Hagdahl, Julius; Heftrich, Tanja; Heil, Michael; Heine, Marcel; Heinz, Andreas; Henriques, Ana; Holl, Matthias; Ickert, G.; Ignatov, Alexander; Jakobsson, Bo; Johansson, Hâkan; Jonson, Björn; Kalantar-Nayestanaki, Nasser; Kanungo, Rituparna; Kelic-Heil, Aleksandra; Knöbel, Ronja; Kröll, Thorsten; Krücken, Reiner; Kurcewicz, J.; Kurz, Nikolaus; Labiche, Marc; Langer, Christoph; Le Bleis, Tudi; Lemmon, Roy; Lepyoshkina, Olga; Lindberg, Simon; Machado, Jorge; Marganiec, Justyna; Mostazo Caro, Magdalena; Movsesyan, Alina; Najafi, Mohammad Ali; Nilsson, Thomas; Nociforo, Chiara; Panin, Valerii; Paschalis, Stefanos; Perea, Angel; Petri, Marina; Pietri, S.; Plag, Ralf; Prochazka, A.; Rahaman, Md. Anisur; Rastrepina, Ganna; Reifarth, Rene; Ribeiro, Guillermo; Ricciardi, M. Valentina; Rigollet, Catherine; Riisager, Karsten; Rossi, Dominic; Sanchez del Rio Saez, Jose; Savran, Deniz; Scheit, Heiko; Simon, Haik; Sorlin, Olivier; Stoica, V.; Streicher, Branislav; Taylor, Jon; Tengblad, Olof; Terashima, Satoru; Thies, Ronja; Togano, Yasuhiro; Uberseder, Ethan; Van de Walle, J.; Velho, Paulo; Volkov, Vasily; Wagner, Andreas; Wamers, Felix; Weick, Helmut; Weigand, Mario; Wheldon, Carl; Wilson, G.; Wimmer, Christine; Winfield, J. S.; Woods, Philip; Yakorev, Dmitry; Zhukov, Mikhail; Zilges, Andreas; Zuber, Kai; R3B Collaboration

    2016-06-01

    Neutron-rich light nuclei and their reactions play an important role in the creation of chemical elements. Here, data from a Coulomb dissociation experiment on N,2120 are reported. Relativistic N,2120 ions impinged on a lead target and the Coulomb dissociation cross section was determined in a kinematically complete experiment. Using the detailed balance theorem, the 19N (n ,γ )20N and 20N (n ,γ ) 21N excitation functions and thermonuclear reaction rates have been determined. The 19 (n ,γ )20N rate is up to a factor of 5 higher at T <1 GK with respect to previous theoretical calculations, leading to a 10% decrease in the predicted fluorine abundance.

  12. Dissociation of ozonide in water

    Energy Technology Data Exchange (ETDEWEB)

    Bentley, J.; Collins, J.Y.; Chipman, D.M.

    2000-05-18

    The free energy of bond dissociation for ozonide ion radical is found to be lowered in aqueous solution by about 20 kcal/mol relative to that in the gas phase, based on electronic structure calculations. Explicit treatment of anion-water clusters indicates that the stronger hydrogen bonds to first-shell water molecules formed by O{sup {minus}} relative to O{sub 3}{sup {minus}} account for much of the lowering. Reaction field methods show that nonspecific electrostatic polarization of the bulk solvent further contributes noticeably to the lowering. The study clearly demonstrates that the aqueous free energy of ozonide bond dissociation is small, and probably endothermic. The best semitheoretical prediction of the actual value is 5 {+-} 5 kcal/mol.

  13. Dissociative symptoms and REM sleep.

    Science.gov (United States)

    van Heugten-van der Kloet, Dalena; Merckelbach, Harald; Lynn, Steven Jay

    2013-12-01

    Llewellyn has written a fascinating article about rapid eye movement (REM) dreams and how they promote the elaborative encoding of recent memories. The main message of her article is that hyperassociative and fluid cognitive processes during REM dreaming facilitate consolidation. We consider one potential implication of this analysis: the possibility that excessive or out-of-phase REM sleep fuels dissociative symptomatology. Further research is warranted to explore the psychopathological ramifications of Llewellyn's theory. PMID:24304772

  14. Two-temperature models for nitrogen dissociation

    Science.gov (United States)

    da Silva, M. Lino; Guerra, V.; Loureiro, J.

    2007-12-01

    Accurate sets of nitrogen state-resolved dissociation rates have been reduced to two-temperature (translational T and vibrational Tv) dissociation rates. The analysis of such two-temperature dissociation rates shows evidence of two different dissociation behaviors. For Tv 0.3 T dissociation proceeds predominantly form the near-dissociative vibrational levels, with an abrupt change of behavior at Tv = 0.3 T. These two-temperature sets have then been utilized as a benchmark for the comparison against popular multitemperature dissociation models (Park, Hansen, Marrone-Treanor, Hammerling, Losev-Shatalov, Gordiets, Kuznetsov, and Macheret-Fridman). This has allowed verifying the accuracy of each theoretical model, and additionally proposing adequate values for any semi-empirical parameters present in the different theories. The Macheret-Fridman model, who acknowledges the existence of the two aforementioned dissociation regimes, has been found to provide significantly more accurate results than the other models. Although these different theoretical approaches have been tested and validated solely for nitrogen dissociation processes, it is reasonable to expect that the general conclusions of this work, regarding the adequacy of the different dissociation models, could be extended to the description of arbitrary diatomic dissociation processes.

  15. Characteristics of covert and overt visual orienting: Evidence from attentional and oculomotor capture

    Science.gov (United States)

    Wu, Shu-Chieh; Remington, Roger W.

    2003-01-01

    Five visual search experiments found oculomotor and attentional capture consistent with predictions of contingent orienting, contrary to claims that oculomotor capture is purely stimulus driven. Separate saccade and attend-only conditions contained a color target appearing either singly, with an onset or color distractor, or both. In singleton mode, onsets produced oculomotor and attentional capture. In feature mode, capture was absent or greatly reduced, providing evidence for top-down modulation of both types of capture. Although attentional capture by color abstractors was present throughout, oculomotor capture by color occurred only when accompanied by transient change, providing evidence for a dissociation between oculomotor and attentional capture. Oculomotor and attentional capture appear to be mediated by top-down attentional control settings, but transient change may be necessary for oculomotor capture. ((c) 2003 APA, all rights reserved).

  16. Electron-impact dissociation and ionization of NO+ ions

    Science.gov (United States)

    Belic, D. S.; Urbain, X.; Cherkani-Hassani, H.; Defrance, P.

    2016-07-01

    Absolute cross sections for electron-impact ionization and dissociation of NO+ ions are reported. Simple ionization to NO2+ ion and production of singly charged N+ and O+ and doubly charged N2+ and O2+ fragments have been investigated. The animated electron-ion crossed-beam method is applied in the energy range from the respective thresholds up to 2.5 keV. The maximum of the simple ionization cross section is found to be (3.49 ± 0.07) × 10‑17 cm2 at 135 eV. The total cross sections for N+ and O+ fragments at the maximum are found to be (13.9 ± 1.0) × 10‑17 cm2 and (14.0 ± 1.4) × 10‑17 cm2, respectively, both at an energy of 85 eV. By performing careful magnetic field scans of the detected signal, contributions of dissociative excitation and dissociative ionization to N+ and O+ production are determined separately. The cross sections for asymmetric dissociative ionization to N2+ and O2+ are found to be over one order of magnitude smaller. Distributions of the kinetic energy release to the fragments are determined for all dissociation processes.

  17. INFLUENCE OF ORGANIC SOLVENTS ON WATER DISSOCIATION IN BIPOLAR MEMBRANE

    Directory of Open Access Journals (Sweden)

    Sheldeshov N. V.

    2015-12-01

    Full Text Available The article discusses results of experimental research of the influence of aprotic and proton solvents on reaction rate of water molecules dissociation in the bipolar membrane MB-1 by the method of electrochemical impedance frequency spectrum. It was discovered, that addition of organic component in aqueous solutions results in significant influence on the parameters of water dissociation in a bipolar region of the membrane. The reason for this influence is the reduction of the mass fraction of water in solution and, consequently, in a bipolar region of the membrane, which itself reduces the rate of the dissociation reaction. Another reason for the influence of the organic solvent is its effect on the network of hydrogen bonds existing in water and aqueous solutions. Depending on the nature of organic solvent and its concentration, the network of hydrogen bonds may be strengthened, or destroyed, thus facilitating removal of the proton involved in the reactions between water molecules and catalytic centers in cation-exchange and anion-exchange layer of bipolar membrane, or retarding removal of proton. This leads respectively to speed up or slow down the rate of dissociation in the bipolar region of the membrane, as well as changing the constants of the dissociation reaction of water. Introduction of organic solvent in solutions, which are in the contact with bipolar membrane, is a convenient method of investigating the role of solution composition on the rate of proton transfer between water molecules and catalytic centers in the membranes

  18. Photogenerated Exciton Dissociation in Highly Coupled Lead Salt Nanocrystal Assemblies

    KAUST Repository

    Choi, Joshua J.

    2010-05-12

    Internanocrystal coupling induced excitons dissociation in lead salt nanocrystal assemblies is investigated. By combining transient photoluminescence spectroscopy, grazing incidence small-angle X-ray scattering, and time-resolved electric force microscopy, we show that excitons can dissociate, without the aid of an external bias or chemical potential gradient, via tunneling through a potential barrier when the coupling energy is comparable to the exciton binding energy. Our results have important implications for the design of nanocrystal-based optoelectronic devices. © 2010 American Chemical Society.

  19. Methane hydrate formation and dissociation in synthetic seawater

    Institute of Scientific and Technical Information of China (English)

    Vikash Kumar Saw; Iqbal Ahmad; Ajay Mandal; G.Udayabhanu; Sukumar Laik

    2012-01-01

    The formation and dissociation of methane gas hydrate at an interface between synthetic seawater (SSW) and methane gas have been experimentally investigated in the present work.The amount of gas consumed during hydrate formation has been calculated using the real gas equation.Induction time for the formation of hydrate is found to depend on the degree of subcooling.All the experiments were conducted in quiescent system with initial cell pressure of 11.14 MPa.Salinity effects on the onset pressure and temperature of hydrate formation are also observed.The dissociation enthalpies of methane hydrate in synthetic seawater were determined by Clausius-Clapeyron equation based on the measured phase equilibrium data.The dissociation data have been analyzed by existing models and compared with the reported data.

  20. Dissociation of NO2 in femtosecond intense fields

    Institute of Scientific and Technical Information of China (English)

    ZHU Jingyi; GUO Wei; WANG Yanqiu; WANG Li

    2006-01-01

    Experimental investigations on the dissociation and ionization processes of NO2 in intense fields at wavelengths of 810, 405 and 270 nm, are presented. The ratios of NO~/NO+ are found to be independent of the laser intensity at these three wavelengths, but show strong dependence on the wavelengths. Longer wavelength produces a larger parent-ion yield in comparison with 405 nm. Peak profiles of all the fragment ions clearly show little kinetic energy releasing during the dissociation. Fragment ions are suggested to be produced from dissociation of the field ionized parent ions. Our results indicate that laser pulse wavelengths are the most important parameters in ionization-fragmen- tation process of polyatomic molecules in intense field other than the laser intensity.

  1. CO dissociation on magnetic Fen clusters

    KAUST Repository

    Jedidi, Abdesslem

    2014-01-01

    This work theoretically investigates the CO dissociation on Fen nanoparticles, for n in the range of 1-65, focusing on size dependence in the context of the initial step of the Fischer-Tropsch reaction. CO adsorbs molecularly through its C-end on a triangular facet of the nanoparticle. Dissociation becomes easier when the cluster size increases. Then, the C atom is bonded to a square facet that is generated as a result of the adsorption if it does not yet exist in the bare cluster, while the O atom is adsorbed on a triangular facet. In the most stable situation, the two adsorbed atoms remain close together, both having in common one shared first-neighbor iron atom. There is a partial spin quenching of the neighboring Fe atoms, which become more positively charged than the other Fe atoms. The shared surface iron atom resembles a metal-cation from a complex. Despite the small size of the iron cluster considered, fluctuations due to specific configurations do not influence properties for n > 25 and global trends seem significant.

  2. Unusual dissociative adsorption of H2 over stoichiometric MgO thin film supported on molybdenum

    CERN Document Server

    Song, Zhenjun

    2015-01-01

    The dissociation of a hydrogen molecule on MgO(001) films deposited on Mo(001) surface is investigated systematically using periodic density-functional theory method. The unusual adsorption behavior of heterolytic dissociative hydrogen molecule at neighboring surface oxygen and surface magnesium, is clarified here. To my knowledge, this heterolytic dissociative state has never been found before on bulk MgO(001) or metal supported MgO(001) surfaces. The results confirm that, in all cases, the heterolytic dissociation is much more favorable that homolytic dissociation both energetically and kinetically. The energy difference between two dissociative states are very large, in the range of 1.1 eV ~ 1.5 eV for Mo supported 1 ML ~ 3 ML oxide films, which inhibits, to a great extent, the homolytic dissociation in the respect of reaction thermodynamics. The energy barrier of heterolytic dissociation are about 0.5 eV, much lower that the barrier of homolytic dissociation. The transformation reaction on thick films wil...

  3. Development and the fragmented self: longitudinal study of dissociative symptomatology in a nonclinical sample.

    Science.gov (United States)

    Ogawa, J R; Sroufe, L A; Weinfield, N S; Carlson, E A; Egeland, B

    1997-01-01

    Dissociative behaviors and their relation to both the self and self-organization were examined using the developmental psychopathology perspective in a prospective longitudinal study of high-risk children. Participants were 168 young adults (n = 79 females, n = 89 males, age = 18-19 years) considered high-risk for poor developmental outcomes at birth due to poverty. The present study investigated whether trauma, sense of self, quality of early mother-child relationship, temperament, and intelligence were related to dissociative symptomatology measured at four times across 19 years. Findings were (a) age of onset, chronicity and severity of trauma were highly correlated and predicted level of dissociation; (b) both the avoidant and disorganized patterns of attachment were strong predictors of dissociation; (c) dissociation in childhood may be a more normative response to disruption and stress, while dissociation in adolescence and young adulthood may be more indicative of psychopathology; (d) preliminary support was found for a model proposed by G. Liotti that links disorganized attachment, later trauma, and dissociation in adulthood; and (e) strong support was found for N. Waller, F. W. Putnam, and E. B. Carlson's contention that psychopathological dissociation should not be viewed as the top end of a continuum of dissociative symptomatology, but as a separate taxon that represents an extreme deviation from normal development. PMID:9449009

  4. Pathway and mechanism of pH dependent human hemoglobin tetramer-dimer-monomer dissociations.

    Directory of Open Access Journals (Sweden)

    Yao-Xiong Huang

    Full Text Available Hemoglobin dissociation is of great interest in protein process and clinical medicine as well as in artificial blood research. However, the pathway and mechanisms of pH-dependent human Hb dissociation are not clear, whether Hb would really dissociate into monomers is still a question. Therefore, we have conducted a multi-technique investigation on the structure and function of human Hb versus pH. Here we demonstrate that tetramer hemoglobin can easily dissociate into dimer in abnormal pH and the tetramer → dimer dissociation is reversible if pH returns to normal physiological value. When the environmental pH becomes more acidic (8.0, Hb can further dissociate from dimer to monomer. The proportion of monomers increases while the fraction of dimers decreases as pH declines from 6.2 to 5.4. The dimer → monomer dissociation is accompanied with series changes of protein structure thus it is an irreversible process. The structural changes in the dissociated Hbs result in some loss of their functions. Both the Hb dimer and monomer cannot adequately carry and release oxygen to the tissues in circulation. These findings provide a comprehensive understanding on the pH-dependent protein transitions of human Hb, give guideline to explain complex protein processes and the means to control protein dissociation or re-association reaction. They are also of practical value in clinical medicine, blood preservation and blood substitute development.

  5. Video Screen Capture Basics

    Science.gov (United States)

    Dunbar, Laura

    2014-01-01

    This article is an introduction to video screen capture. Basic information of two software programs, QuickTime for Mac and BlueBerry Flashback Express for PC, are also discussed. Practical applications for video screen capture are given.

  6. Evidence for associations among somatoform dissociation, psychological dissociation, and reported trauma in patients with chronic pelvic pain

    NARCIS (Netherlands)

    Nijenhuis, ERS; van Dyck, R; ter Kuile, MM; Mourits, MJE; Spinhoven, P; van der Hart, O

    2003-01-01

    This study investigates somatoform as well as psychological dissociation, somatization and reported trauma among patients with chronic pelvic pain (CPP). Women with CPP (n = 52) who were newly referred to a gynecology department, or whose pain had resisted treatment, completed standardized self-repo

  7. Dissociative Electron Attachment to Polyatomic Molecules - I : Water

    CERN Document Server

    Ram, N Bhargava; Krishnakumar, E

    2010-01-01

    Using the velocity map imaging technique, we studied and characterized the process of Dissociative Electron Attachment (DEA) in polyatomic molecules like Water, Hydrogen Sulphide, Ammonia, Methane, Formic Acid and Propyl Amine. We present the details of these studies in a series of 5 articles. In the first article here, we discuss the DEA process in gas phase water ($H_{2}O$ and $D_{2}O$) molecules. Electrons of 6.5 eV, 8.5 eV and 12 eV are captured by water molecules in neutral ground state to form $H_{2}O^{-*}$ ($D_{2}O^{-*}$) resonant states which dissociate into an anion fragment and one or more neutrals. Kinetic energy and angular distributions of the fragment anions $H^{-}$($D^{-}$) and $O^{-}$ produced from the three negative ion resonant states in the entire $2\\pi$ scattering range are obtained. Unique angular distribution patterns are observed at the 8.5 eV and 11.8 eV resonances showing dissociation dynamics beyond the axial recoil approximation.

  8. Radiative electron capture

    International Nuclear Information System (INIS)

    Some data are presented for radiative electron capture by fast moving ions. The radiative electron capture spectrum is shown for O8+ in Ag, along with the energy dependence of the capture cross-section. A discrepancy between earlier data, theoretical prediction, and the present data is pointed out. (3 figs) (U.S.)

  9. Characterizing changes in the rate of protein-protein dissociation upon interface mutation using hotspot energy and organization.

    Directory of Open Access Journals (Sweden)

    Rudi Agius

    Full Text Available Predicting the effects of mutations on the kinetic rate constants of protein-protein interactions is central to both the modeling of complex diseases and the design of effective peptide drug inhibitors. However, while most studies have concentrated on the determination of association rate constants, dissociation rates have received less attention. In this work we take a novel approach by relating the changes in dissociation rates upon mutation to the energetics and architecture of hotspots and hotregions, by performing alanine scans pre- and post-mutation. From these scans, we design a set of descriptors that capture the change in hotspot energy and distribution. The method is benchmarked on 713 kinetically characterized mutations from the SKEMPI database. Our investigations show that, with the use of hotspot descriptors, energies from single-point alanine mutations may be used for the estimation of off-rate mutations to any residue type and also multi-point mutations. A number of machine learning models are built from a combination of molecular and hotspot descriptors, with the best models achieving a Pearson's Correlation Coefficient of 0.79 with experimental off-rates and a Matthew's Correlation Coefficient of 0.6 in the detection of rare stabilizing mutations. Using specialized feature selection models we identify descriptors that are highly specific and, conversely, broadly important to predicting the effects of different classes of mutations, interface regions and complexes. Our results also indicate that the distribution of the critical stability regions across protein-protein interfaces is a function of complex size more strongly than interface area. In addition, mutations at the rim are critical for the stability of small complexes, but consistently harder to characterize. The relationship between hotregion size and the dissociation rate is also investigated and, using hotspot descriptors which model cooperative effects within

  10. Capture Their Attention: Capturing Lessons Using Screen Capture Software

    Science.gov (United States)

    Drumheller, Kristina; Lawler, Gregg

    2011-01-01

    When students miss classes for university activities such as athletic and academic events, they inevitably miss important class material. Students can get notes from their peers or visit professors to find out what they missed, but when students miss new and challenging material these steps are sometimes not enough. Screen capture and recording…

  11. Multiphoton ionization/dissociation of osmium tetroxide

    International Nuclear Information System (INIS)

    The mechanisms leading to laser multiphoton ionization and dissociation (MPI/MPD) of osmium tetroxide (OsO4) have been investigated from measurements of the kinetic energies of product ions (Os+, Os2+, OsO+, O2+, O+) and photoelectrons as a function of the laser wavelength. Neutral channels, intermediate to the dominant Os+ ionization channel, such as OsO4→OsO4-n+nO are examined using resonance-enhanced multiphoton ionization (REMPI) of the fast O atoms. Equipartition of the available photon energy among the fragments is observed. The wavelength dependence of the Os+ ion signal suggests that one or more of the steps leading to Os+ ions involve molecular ions and/or excited neutral atoms. The observed preponderance of very slow (2+ is shown to result primarily from REMPI of Os+

  12. One- and two-phonon capture processes in quantum dots

    DEFF Research Database (Denmark)

    Magnúsdóttir, Ingibjörg; Uskov, Alexander; Bischoff, Svend;

    2002-01-01

    Multiphonon capture processes are investigated theoretically and found to contribute efficiently to the carrier injection into quantum dots. It is shown that two-phonon capture contributes where single-phonon capture is energetically inhibited and can lead to electron capture times of a few...

  13. Mirror Writing and a Dissociative Identity Disorder

    OpenAIRE

    Catherine Le; Joyce Smith; Lewis Cohen

    2009-01-01

    Individuals with dissociative identity disorder (DID) have been known to show varied skills and talents as they change from one dissociative state to another. For example, case reports have described people who have changed their handedness or have spoken foreign languages during their dissociative states. During an interview with a patient with DID, a surprising talent emerged when she wrote a sentence for the Folstein Mini-Mental State Exam—mirror writing. It is not known whether her mirror...

  14. Dissociative recombination of organic molecular ions of relevance for interstellar clouds and Titan's upper atmosphere

    OpenAIRE

    Vigren, Erik

    2010-01-01

    This thesis presents experimental studies on the dissociative recombination (DR) of the organic molecular ions CD3CND+, CH2CHCNH+, CH3CH2CNH+, CD3CDO+, CH3CHO+ and DCOOD2+. The experiments were all performed at the heavy ion storage ring CRYRING at the Manne Siegbahn Laboratory in Stockholm, Sweden. DR is the process in which a singly charged molecular cation captures a free electron, forming a highly excited intermediate molecule which then dissociates into exclusively neutral fragments. The...

  15. Charmonium dissociation cross sections and charmonium dissociation rates in hadronic matter

    CERN Document Server

    Liu, Feng-Rong; Xu, Xiao-Ming

    2016-01-01

    K*-charmonium dissociation reactions in hadronic matter are studied in the Born approximation, in the quark-interchange mechanism, and with a temperature-dependent quark potential. We obtain the temperature dependence of unpolarized cross sections for K*-charmonium dissociation reactions which produce charmed mesons and charmed strange mesons. We use the cross sections for charmonium dissociation in collisions with pion, rho meson, kaon, vector kaon, and eta meson to calculate dissociation rates of charmonium with the five types of mesons. Because of the temperature dependence of the meson masses, dissociation cross sections, and meson distribution functions, the charmonium dissociation rates generally increase with the increase of temperature and decrease with the increase of charmonium momentum from 2.2 GeV/c. We find that the first derivative of the dissociation rate with respect to the charmonium momentum is zero when the charmonium is at rest. While the eta + psi' and eta + chi_c dissociation reactions c...

  16. a Measurement of the Homogeneous Rate of Thermal Dissociation of Uranium Hexafluoride by Shock Tube Densitometry

    Science.gov (United States)

    Scoles, Stephen Wesley

    1990-01-01

    A determination of the rate of homogeneous thermal dissociation of UF_6 is reported. The high temperature region of a shock tube generated flow was used to dissociate UF_6. Laser -schlieren diagnostic techniques were used to measure post -shock density gradient and shock wave velocity, from which the dissociation rate constant and post-shock conditions were determined. The unimolecular dissociation theory of Rice, Ramsparger, and Kassel was used to model the temperature - and density-dependent rate constants. When extrapolated to the high density limit the dissociation rate constant obtained is:rm k_infty = 3.51times 10^{13}{bf e}^{{-64.6+/-6.3 {kcal over mole}over R_{U}T }}{1over sec}.This result agrees with a reliable theoretical calculation by another investigator, but differs by two orders of magnitude from the only other experimental measurements in the open literature.

  17. Self-mutilation among male patients with alcohol dependency: the role of dissociation.

    Science.gov (United States)

    Evren, Cuneyt; Sar, Vedat; Evren, Bilge; Dalbudak, Ercan

    2008-01-01

    The aim of this study was to investigate the relationship of self-mutilative behavior with dissociative experiences among men who are alcohol dependent. Participants were 176 inpatients consecutively admitted to an alcohol dependency treatment center. Dissociative Experiences Scale, Beck Depression Inventory, State-Trait Anxiety Inventory, Symptom Checklist-Revised, and Michigan Alcoholism Screening Test were conducted to all participants. A sizable proportion of patients (29.0%) reported self-mutilation (SM). Childhood abuse, younger age, early onset of alcoholism, and dissociative taxon membership predicted SM. The overall severity of clinical condition and the frequency of suicide attempts among those who reported SM were higher than those of the remaining patients. The Dissociative Experiences Scale-Taxon item "auditory verbal hallucinations" and the Symptom Checklist-Revised dimension "hostility" were predictors of SM. There is a complex relationship between dissociation, alcohol use, and SM. Increased awareness among clinicians on this relationship may increase the effectiveness of treatment interventions.

  18. Comparative study between hadron and heavy ion dissociation at high energies

    International Nuclear Information System (INIS)

    The present work deals with the dissociation of hadrons and heavy ions at high energies. In investigating hadron nucleus and nucleus-nucleus collisions, it is important to classify the experimental data, into two main classes; the coherent. and incoherent reactions. The coherent production is the main of our study. This process called electromagnetic dissociation (ED) and can be differentiate into coulomb dissociation (CD) and diffraction dissociation (DD). This work explains the experimental data of collisions of hadrons K± (70 GeV/c) and π(340 Gc V/c) and heavy ions 6Li, 7Li, 12C and16O at Dubna energies (3-4.5 A GeV/c)with emulsion target, in the frame of some models and theories which describe the mechanism of ED dissociation

  19. Molecular dissociation in dilute gas

    International Nuclear Information System (INIS)

    The charge state distributions (CSD) produced during molecular dissociation are important to both Trace Element Accelerator Mass Spectrometry (TEAMS) and the ion implantation industry. The CSD of 1.3 - 1.7 MeV SiN+, SiMg+, SiMn+, and SiZn+ molecules have been measured for elements that do not form atomic negative ions (N, Mg, Mn, and Zn) using a NEC Tandem Pelletron accelerator. The molecules were produced in a Cs sputter negative ion source, accelerated, magnetically analyzed, and then passed through an N2 gas cell. The neutral and charged breakups where analyzed using an electrostatic deflector and measured with particle detectors. Equilibrium CSD were determined and comparisons made between molecular and atomic ion data. copyright 1999 American Institute of Physics

  20. Theory of dissociative tunneling ionization

    CERN Document Server

    Svensmark, Jens; Madsen, Lars Bojer

    2016-01-01

    We present a theoretical study of the dissociative tunneling ionization process. Analytic expressions for the nuclear kinetic energy distribution of the ionization rates are derived. A particularly simple expression for the spectrum is found by using the Born-Oppenheimer (BO) approximation in conjunction with the reflection principle. These spectra are compared to exact non-BO ab initio spectra obtained through model calculations with a quantum mechanical treatment of both the electronic and nuclear degrees freedom. In the regime where the BO approximation is applicable imaging of the BO nuclear wave function is demonstrated to be possible through reverse use of the reflection principle, when accounting appropriately for the electronic ionization rate. A qualitative difference between the exact and BO wave functions in the asymptotic region of large electronic distances is shown. Additionally the behavior of the wave function across the turning line is seen to be reminiscent of light refraction. For weak fiel...

  1. State dissociation moderates response to dialectical behavior therapy for posttraumatic stress disorder in women with and without borderline personality disorder

    Science.gov (United States)

    Kleindienst, Nikolaus; Priebe, Kathlen; Görg, Nora; Dyer, Anne; Steil, Regina; Lyssenko, Lisa; Winter, Dorina; Schmahl, Christian; Bohus, Martin

    2016-01-01

    Background Patients with posttraumatic stress disorder (PTSD) are prone to dissociation, which in theory should interfere with successful treatment. However, most empirical studies do not substantiate this assumption. Objective The primary objective was to test whether state dissociation predicts the success of an adaptation of dialectical behavior therapy designed for the treatment of patients with PTSD after childhood sexual abuse (CSA) (DBT-PTSD). We further explored whether the operationalization of dissociation as state versus trait dissociation made a difference with respect to prediction of improvement. Methods We present a hypothesis-driven post hoc analysis of a randomized controlled trial on the efficacy in patients with PTSD after CSA. Regression analyses relating pre–post improvements in the Clinician-Administered PTSD Scale (CAPS) and the Posttraumatic Diagnostic Scale (PDS) to dissociation were applied to the women who participated in the active treatment arm (DBT-PTSD). Multivariate models accounting for major confounders were used to relate improvements in both the CAPS and the PDS to (1) state dissociation as assessed after each treatment session and (2) trait dissociation as assessed at baseline. Results State dissociation during psychotherapy sessions predicted improvement after DBT-PTSD: patients with low state dissociation during treatment had a higher chance to show substantial improvement. This relation consistently emerged across subgroups of PTSD patients with and without borderline personality disorder. The operationalization of dissociation as state versus trait dissociation made a difference as improvement was not significantly predicted from trait dissociation. Conclusions Dissociation during treatment sessions may reduce success with trauma-focused therapies such as DBT-PTSD. Accordingly, clinical studies aimed at improving ways to address dissociation are needed. Highlights of the article The article investigates whether state

  2. Charge carrier dissociation and recombination in polymer solar cells

    Energy Technology Data Exchange (ETDEWEB)

    Deibel, Carsten [Experimental Physics VI, Julius-Maximilians-University of Wuerzburg, 97074 Wuerzburg (Germany)

    2009-12-15

    In polymer:fullerene solar cells, the origin of the losses in the field-dependent photocurrent is still controversially debated. We contribute to the ongoing discussion by performing photo-induced charge extraction measurements on poly(3-hexylthiophene-2,5-diyl):[6,6]-phenyl-C{sub 61} butyric acid methyl ester solar cells in order to investigate the processes ruling charge carrier decay. Calculating the drift length of photogenerated charges, we find that polaron recombination is not limiting the photocurrent for annealed devices. Additionally, we applied Monte Carlo simulations on blends of conjugated polymer chain donors with acceptor molecules in order to gain insight into the polaron pair dissociation. The dissociation yield turns out to be rather high, with only a weak field dependence. With this complementary view on dissociation and recombination, we stress the importance of accounting for polaron pair dissociation, polaron recombination as well as charge extraction when considering the loss mechanisms in organic solar cells. (Abstract Copyright [2009], Wiley Periodicals, Inc.)

  3. An Investigation into the Effects of Mn Promotion on the Activity and Selectivity of Co/SiO2 for Fischer - Tropsch Synthesis: Evidence for Enhanced CO Adsorption and Dissociation

    Energy Technology Data Exchange (ETDEWEB)

    Johnson, Gregory R.; Werner, Sebastian; Bell, Alexis T. (LBNL); (UCB)

    2016-03-04

    Mn is an effective promoter for improving the activity and selectivity of Co-based Fischer-Tropsch synthesis (FTS) catalysts, but the mechanism by which this promoter functions is poorly understood. The work reported here was aimed at defining the manner in which Mn interacts with Co and determining how these interactions affect the activity and selectivity of Co. Detailed measurements are reported for the kinetics of FTS as a function of Mn/Co ratio, temperature, and reactant partial pressure. These data are described by a single, two-parameter rate expression. Mn promotion was found to increase both the apparent rate constant for CO consumption and the CO adsorption constant. Further evidence for enhanced CO adsorption and dissociation was obtained from measurements of temperature-programmed desorption of CO and CO disproportionation rates, respectively. Our quantitative analysis of elemental maps obtained by STEM-EDS revealed that the promoter accumulates preferentially on the surface of Co nanoparticles at low Mn loadings, resulting in a rapid onset of improvements in the product selectivity as the Mn loading increases. For catalysts prepared with loadings higher than Mn/Co = 0.1, the additional Mn accumulates in the form of nanometer-scale particles of MnO on the support. In situ IR spectra of adsorbed CO show that Mn promotion increases the abundance of adsorbed CO with weakened C-O bonds. Furthermore, it is proposed that the cleavage of the C-O bond is promoted through Lewis acid-base interactions between the Mn2+ cations located at the edges of MnO islands covering the Co nanoparticles and the O atom of CO adsorbates adjacent to the MnO islands. The observed decrease in selectivity to CH4 and the increased selectivity to C5+ products with increasing Mn/Co ratio are attributed to a decrease in the ratio of adsorbed H to CO on the surface of the supported Co nanoparticles.

  4. [Dissociative disorder and self-injury].

    Science.gov (United States)

    Noma, Shun'ichi

    2011-01-01

    Both the number of patients with dissociative disorder and that of those with self-injury have been increasing since the end of the twentieth century, suggesting that dissociation and self-injury might be closely related. When dissociative disorder coexists with self-injury, it implies self-punishment and a wish to be understood by others. Although many cases of self-injury observed since 2000 lacked traumatic experiences and were not accompanied by pathological dissociative symptoms, the patients did have dissociative tendencies. According to the results of our study examining self-injury in patients with eating disorders, we observed that self-injury, dissociative tendency and insulation from others are related to each other. This suggests that affects, sensations and representations are dissociated, losing their normal response order, and that the pervasive idea that "pain=secure" is formed in a patient from childhood based on influence from their parents. Self-injury appears to be an activation of this pervasive idea that is triggered by a stressful situation, when the dissociative psychological segmentation of effects and their representations are present in the background.

  5. Radioactive proton capture on {sup 6}He

    Energy Technology Data Exchange (ETDEWEB)

    Sauvan, E.; Marques, F.M. [Caen Univ., 14 (France). Lab. de Physique Corpusculaire; Wilschut, H.W. [Kernfysich Versneller Instituut, Groningen (Netherlands)

    2001-03-01

    Radiative capture of protons is investigated as a probe of clustering in nuclei far from stability. The first such measurement on a halo nucleus is reported here for the reaction {sup 6}He(p,{gamma}) at 40 MeV. Capture into {sup 7}Li is observed as the strongest channel. In addition, events have been recorded that may be described by quasi-free capture on halo neutron, the {alpha} core and {sup 5}He. The possibility of describing such events by capture into the continuum of {sup 7}Li is also discussed. (authors)

  6. Radiative proton capture on He-6

    NARCIS (Netherlands)

    Sauvan, E; Marques, FM; Wilschut, HW; Orr, NA; Angelique, JC; Borcea, C; Catford, WN; Clarke, NM; Descouvemont, P; Diaz, J; Grevy, S; Kugler, A; Kravchuk, [No Value; Labiche, M; Le Brun, C; Lienard, E; Lohner, H; Mittig, W; Ostendorf, RW; Pietri, S; Roussel-Chomaz, P; Saint Laurent, MG; Savajols, H; Wagner, [No Value; Yahlali, N

    2001-01-01

    Radiative capture of protons is investigated as a probe of clustering in nuclei far from stability. The first such measurement on a halo nucleus is reported here for the reaction He-6(p, gamma) at 40 MeV. Capture into Li-7 is observed as the strongest channel. In addition, events have been recorded

  7. A three-dimensional study on the formation and dissociation of methane hydrate in porous sediment by depressurization

    International Nuclear Information System (INIS)

    Highlights: ► A method to synthesize typical hydrate-bearing samples is proposed. ► Hydrate dissociation in three-dimensional cell occurs throughout the hydrate zone. ► The sharp interface is hardly found during hydrate depressurization dissociation. ► Hydrate dissociation rates at different locations are not uniform. ► Thermal buffering and heat transfer influence on gas production rate of hydrate. - Abstract: A middle-scale reactor equipped with 16 thermocouples was used to investigate the formation and dissociation of methane hydrate in sediment in three dimensions. A method was proposed to form hydrate homogeneously distributed in sediment, i.e., using frozen sand instead of wet sand with pore water. With the formed hydrate sample, hydrate dissociation experiment by depressurization was carried out at a constant pressure of 1.0 MPa. It was found that gas hydrate dissociation occurs throughout the hydrate zone, which controlled by both mass transfer and heat transfer throughout the stages. The sharp-interface is hardly found during the hydrate dissociation. The thermal buffering was observed at the temperature of (271.5–272.2) K during the hydrate dissociation process. The ice arisen from hydrate dissociation slows the hydrate dissociation rate below the ice point, which will affect gas production rate. It may be more reasonable that the depressurization method is used in the initial stage and the thermal stimulation method is used in the later stage in the process of gas recovery from hydrate reservoir.

  8. Capture ready study

    Energy Technology Data Exchange (ETDEWEB)

    Minchener, A.

    2007-07-15

    There are a large number of ways in which the capture of carbon as carbon dioxide (CO{sub 2}) can be integrated into fossil fuel power stations, most being applicable for both gas and coal feedstocks. To add to the choice of technology is the question of whether an existing plant should be retrofitted for capture, or whether it is more attractive to build totally new. This miscellany of choices adds considerably to the commercial risk of investing in a large power station. An intermediate stage between the non-capture and full capture state would be advantageous in helping to determine the best way forward and hence reduce those risks. In recent years the term 'carbon capture ready' or 'capture ready' has been coined to describe such an intermediate stage plant and is now widely used. However a detailed and all-encompassing definition of this term has never been published. All fossil fuel consuming plant produce a carbon dioxide gas byproduct. There is a possibility of scrubbing it with an appropriate CO{sub 2} solvent. Hence it could be said that all fossil fuel plant is in a condition for removal of its CO{sub 2} effluent and therefore already in a 'capture ready' state. Evidently, the practical reality of solvent scrubbing could cost more than the rewards offered by such as the ETS (European Trading Scheme). In which case, it can be said that although the possibility exists of capturing CO{sub 2}, it is not a commercially viable option and therefore the plant could not be described as ready for CO{sub 2} capture. The boundary between a capture ready and a non-capture ready condition using this definition cannot be determined in an objective and therefore universally acceptable way and criteria must be found which are less onerous and less potentially contentious to assess. 16 refs., 2 annexes.

  9. Atom capture and loss in ion molecule collisions

    International Nuclear Information System (INIS)

    Progress is reported in measuring the energy and angular distribution of protons emerging with velocity close to the beam velocity from the target region when Ar+ beams collide with a CH4 target and ArH+ beams collide with a He target at asymptotically high speeds. The protons result from the transfer of a target constituent to the projectile (atom capture) or from the dissociation of the projectile molecule in the collision (atom loss). For atom capture processes the Thomas peak is clearly observed. 10 refs., 3 figs

  10. CAPTURED Ghana Country Evaluation

    NARCIS (Netherlands)

    Sefa Dei, G.J.; Brouwers, J.H.A.M.

    2012-01-01

    This report provides the findings of the Ghana Country Evaluation and is produced as part of the overall CAPTURED End Evaluation. After five years of support by the CAPTURED project the University of Development Studies has been able to achieve commendable results. It can be confirmed that the conte

  11. CAPTURED India Country Evaluation

    NARCIS (Netherlands)

    O'Donoghue, R.; Brouwers, J.H.A.M.

    2012-01-01

    This report provides the findings of the India Country Evaluation and is produced as part of the overall CAPTURED End Evaluation. After five years of support by the CAPTURED project the End Evaluation has assessed that results are commendable. I-AIM was able to design an approach in which health fol

  12. Carbon Capture and Storage

    NARCIS (Netherlands)

    Benson, S.M.; Bennaceur, K.; Cook, P.; Davison, J.; Coninck, H. de; Farhat, K.; Ramirez, C.A.; Simbeck, D.; Surles, T.; Verma, P.; Wright, I.

    2012-01-01

    Emissions of carbon dioxide, the most important long-lived anthropogenic greenhouse gas, can be reduced by Carbon Capture and Storage (CCS). CCS involves the integration of four elements: CO 2 capture, compression of the CO2 from a gas to a liquid or a denser gas, transportation of pressurized CO 2

  13. Direct thermal neutron capture

    International Nuclear Information System (INIS)

    We discuss the direct-capture theory pertaining to primary electric dipole (E1) transitions following slow-neutron capture. For light nuclides that we have studied (including 9Be, 12C, 13C, 24Mg, 25Mg, 26Mg, 32S, 33S, 34S, 40Ca, and 44Ca), estimates of direct-capture cross sections using optical-model potentials with physically realistic parameters, are in reasonable agreement with the data. Minor disagreements that exist are consistent with extrapolations to light nuclides of generally accepted formulations of compound-nucleus capture. We also discuss the channel-capture approximation which is, in general, a good representation of these cross sections in heavier nuclei particularly if the scattering lengths are not different from the corresponding potential radii. We also draw attention to cases where the use of this formula leads to inaccurate predictions. 9 refs., 1 fig., 2 tab

  14. Dynamics of nitrogen dissociation from direct molecular simulation

    Science.gov (United States)

    Valentini, Paolo; Schwartzentruber, Thomas E.; Bender, Jason D.; Candler, Graham V.

    2016-08-01

    We present a molecular-level investigation of nitrogen dissociation at high temperature. The computational technique, called direct molecular simulation (DMS), solely relies on an ab initio potential energy surface and both N2+N2 and N +N2 processes are simulated as they concurrently take place in an evolving nonequilibrium gas system. Quasiclassical trajectory calculations (QCT) reveal that dissociation rate coefficients calculated at thermal equilibrium, i.e., assuming Boltzmann energy distributions, are approximately equal (within less than 15%) for both N2+N2 and N +N2 collisions for the range of temperatures considered. The DMS (nonequilibrium) results indicate, however, that the presence of atomic nitrogen significantly affects the dissociation rate of molecular nitrogen, but indirectly. In fact, the presence of atomic nitrogen causes an important reduction of the vibrational relaxation time of N2, by almost one order of magnitude. This, in turn, speeds up the replenishment of high-v states that are otherwise significantly depleted if only N2+N2 collisions are considered. Because of the strong favoring of dissociation from high-v states, this results in dissociation rates that are 2-3 times higher when significant atomic nitrogen is present compared to systems composed of mainly diatomic nitrogen, such as during the initial onset of dissociation. Specifically, we find that exchange events occur frequently during N +N2 collisions and that such exchange collisions constitute an effective mechanism of scrambling the internal energy states, resulting in multiquantum jumps in vibrational energy levels that effectively promote energy transfers. The resulting vibrational relaxation time constant we calculate for N +N2 collisions is significantly lower than the widely used Millikan-White model. Significant discrepancies are found between predictions of the Park two-temperature model (using the Millikan-White vibrational relaxation model) and the DMS results for

  15. DTA and TGA study of MeSo4 (Me = Fe, Co, Ni dissociation in the presence of coke

    Directory of Open Access Journals (Sweden)

    Boyanov B.S.

    2002-01-01

    Full Text Available MeSO4 (Me = Fe, Co, Ni dissociation is investigated in order to estimate the effect of temperature, time and presence of coke as reducer on the degree and mechanism of dissociation. It is proved that the presence of coke decreases the dissociation temperature considerably and increases the degree of MeSO4 dissociation. Based on the obtained experimental data, a mechanism of the processes is proposed. The obtained results can be used in the industrial production of non-ferrous metals for explaining the processes that take place in the reduction of zinc and lead cakes in order to achieve favorable environmental, technical and economic results.

  16. Hydrogen loss in aminobutanoic acid isomers by the σ* resonance formed in electron capture

    International Nuclear Information System (INIS)

    The mechanism of a hydrogen loss reaction upon dissociative electron attachment to organic acids and amino acids has been a matter of controversy. In this study, we investigate this process for three isomers of aminobutanoic acid and the deuterated analogue of the α isomer (αAD) in the electron energy range 0-2.5 eV. We implement the resonant R-matrix theory, applying a one-dimensional model involving electron capture into the σ*(OH) orbital which reproduces convincingly the conspicuous features of the experimental cross sections, i.e. the pronounced cusps at the vibrational excitation threshold, the substantially different shapes of the three constitutional isomers and the characteristic differences between αA and its isotopologue αAD. (paper)

  17. Dissociating the decision making functions of older adults

    OpenAIRE

    Griffin, Charlie

    2009-01-01

    The aim of this study was to use two variants of the Iowa gambling test, which have been shown to dissociate between patients with dorsolateral and orbitofrontal cortex lesions, to investigate whether decision making deficits found in normal older adults are similar to patterns associated with patients with lesions to the dorsolateral or obritofrontal cortex. This study was designed to advance previous findings that subsets of older adults are impaired on the Iowa Gambling task by determin...

  18. A complete look at the dissociation dynamics of vinylfluoride at 157 nm

    Science.gov (United States)

    Tu, Jinying; Lin, Jim J.; Lee, Yuan T.; Yang, Xueming

    2002-04-01

    Photodissociation of vinylfluoride (H2CCFH) at 157 nm has been investigated using the photofragment translational spectroscopy technique. Five dissociation pathways have been clearly observed: H2CCF/HCCHF+H, HCCF+2H, HCCH+H+F, HCCH/H2CC:+HF, and HCCF/HFCC:+H2. Molecular HF elimination and the HCCH+H+F triple dissociation channel are found to be equally important, while other channels are all minor. The product kinetic energy distributions for all dissociation channels have been determined. Branching ratios for different channels have also been estimated.

  19. CH4 dissociation on Co(0001): A density functional theory study

    Institute of Scientific and Technical Information of China (English)

    Wei Huang; Lulu Sun; Peide Han; Jinzhen Zhao

    2012-01-01

    CH4 dissociation on Co(0001) surfaces is an important step,which has been investigated at the level of density functional theory.It is found that CH4 is unfavorable to adsorb on Co(0001),while CH4 favores to dissociate to CH3,CH2 and CH on Co(0001) surface by sequential dehydrogenation.In the whole process of CH4 dehydrogenation,CH4 dissociate to CH3 and H is the rate-determining step.The calculated results show that CH2 and CH exist mainly on Co(0001) surface,while the dehydrogenation of CH into C and H is difficult.

  20. From state dissociation to status dissociatus.

    Science.gov (United States)

    Antelmi, Elena; Ferri, Raffaele; Iranzo, Alex; Arnulf, Isabelle; Dauvilliers, Yves; Bhatia, Kailash P; Liguori, Rocco; Schenck, Carlos H; Plazzi, Giuseppe

    2016-08-01

    The states of being are conventionally defined by the simultaneous occurrence of behavioral, neurophysiological and autonomic descriptors. State dissociation disorders are due to the intrusion of features typical of a different state into an ongoing state. Disorders related to these conditions are classified according to the ongoing main state and comprise: 1) Dissociation from prevailing wakefulness as seen in hypnagogic or hypnopompic hallucinations, automatic behaviors, sleep drunkenness, cataplexy and sleep paralysis 2) Dissociation from rapid eye movement (REM) sleep as seen in REM sleep behavior disorder and lucid dreaming and 3) Dissociation from NREM sleep as seen in the disorders of arousal. The extreme expression of states dissociation is characterized by the asynchronous occurrence of the various components of the different states that prevents the recognition of any state of being. This condition has been named status dissociatus. According to the underlying disorders/diseases and to their severity, among status dissociatus we may recognize disorders in which such an extreme dissociation occurs only at night time or intermittently (i.e., autoimmune encephalopathies, narcolepsy type 1 and IgLON5 parasomnia), and others in which it occurs nearly continuously with complete loss of any conventionally defined state of being, and of the circadian pattern (agrypnia excitata). Here, we render a comprehensive review of all diseases/disorders associated with state dissociation and status dissociatus and propose a critical classification of this complex scenario. PMID:26431902

  1. Peptide and protein sequence analysis by electron transfer dissociation mass spectrometry

    OpenAIRE

    Syka, John E. P.; Coon, Joshua J.; Schroeder, Melanie J.; Shabanowitz, Jeffrey; Hunt, Donald F.

    2004-01-01

    Peptide sequence analysis using a combination of gas-phase ion/ion chemistry and tandem mass spectrometry (MS/MS) is demonstrated. Singly charged anthracene anions transfer an electron to multiply protonated peptides in a radio frequency quadrupole linear ion trap (QLT) and induce fragmentation of the peptide backbone along pathways that are analogous to those observed in electron capture dissociation. Modifications to the QLT that enable this ion/ion chemistry are presented, and automated ac...

  2. Theory of dissociative tunneling ionization

    Science.gov (United States)

    Svensmark, Jens; Tolstikhin, Oleg I.; Madsen, Lars Bojer

    2016-05-01

    We present a theoretical study of the dissociative tunneling ionization process. Analytic expressions for the nuclear kinetic energy distribution of the ionization rates are derived. A particularly simple expression for the spectrum is found by using the Born-Oppenheimer (BO) approximation in conjunction with the reflection principle. These spectra are compared to exact non-BO ab initio spectra obtained through model calculations with a quantum mechanical treatment of both the electronic and nuclear degrees of freedom. In the regime where the BO approximation is applicable, imaging of the BO nuclear wave function is demonstrated to be possible through reverse use of the reflection principle, when accounting appropriately for the electronic ionization rate. A qualitative difference between the exact and BO wave functions in the asymptotic region of large electronic distances is shown. Additionally, the behavior of the wave function across the turning line is seen to be reminiscent of light refraction. For weak fields, where the BO approximation does not apply, the weak-field asymptotic theory describes the spectrum accurately.

  3. A digital image capture method: legal and criminalistic aspects

    OpenAIRE

    Šiurna, Žilvinas

    2007-01-01

    The graduating paper focuses on the digital image capture method in criminalistic and also on its legal regulation and practical resort in the law enforcement institutions‘ investigations of criminal acts. The digital image capture is one of the methods of digital image capture in criminalistic. Its structure contains digital photography and digital video recording. The digital photography is used for strategical and investigative photography. The usage of the digital image capture method inv...

  4. Hydrate-based technology for CO2 capture from fossil fuel power plants

    International Nuclear Information System (INIS)

    Graphical abstract: Application of hydrate based technology on carbon dioxide capture and storage (CCS). - Highlights: • Hydrate-based CO2–N2 separation data was obtained for flow in porous media. • Tetrahydrofuran and sodium dodecyl sulphate are used as additives simultaneously. • Solution movement rarely occurs when residual solution saturations are low. • Bothe of pressure and temperature have remarkable impacts on gas compositions. • A suitable operation parameter choice is proposed for hydrate-based CO2 capture. - Abstract: Hydrate-based CO2 capture is a promising technology. To obtain fundamental data for a flowing system, we measured the distribution of pore solution to analyse hydrate formation/dissociation and gas separation properties. An orthogonal experiment was carried out to investigate the effects of glass beads, flow rates, pressures and temperatures on it. Magnetic resonance imaging (MRI) images were obtained using a spin echo multi-slice pulse sequence. Hydrate saturations were calculated quantitatively using an MRI mean intensity. The results show that hydrate blockages were frequently present. During the hydrate formation and dissociation process, the movement of the solution occurred in cycles. However, the solution movement rarely occurred for residual solution saturations obtained with a high backpressure. The solution concentrate phenomenon occurred mostly in BZ-04. The highest hydrate saturation was 30.2%, and the lowest was 0.70%. Unlike that in BZ-01, there was no stability present in BZ-02 and BZ-04. The different CO2 concentrations for the three processes of each cycle verified hydrate formation during the gas flow process. The highest CO2 concentration was 38.8%, and the lowest one was 11.4%. To obtain high hydrate saturation and good separation effects, the values of 5.00 MPa, 1.0 ml min−1 and 280.00 K were chosen. For the gas flow process, only the pressure had a significant impact on gas composition, and all the

  5. Excited State Formation in Electron Capture by Slow Multiply Charged Ions

    International Nuclear Information System (INIS)

    Translational energy spectroscopy (TES) has been used to study one-electron capture by H and He-like ions of C, N and O in both H and H2 at energies below 1 keV amu-1. Similar measurements have been carried out for He2+ ions in the hydrocarbons CH4, C2H4, C2H6 and H2O at energies within the range 250-2000 eV amu-1. One-electron capture by O6+ ions in H2O, CO2 and CH4 and by C4+ ions in CH4 have also been studied in the range 200-1500 eV amu-1. The main excited product states have been identified, their relative importance assessed and, in some cases, cross-sections determined. In the molecular targets, contributions to one-electron capture from non-dissociative and dissociative mechanisms as well as from two-electron capture into autoionizing states has also been determined. In all cases, the highly selective nature of the electron capture process is confirmed even in the case of molecules with many possible fragmentation channels involving a wide range of energy defects. In the case of H, the main product channels are well predicted by reaction windows calculated using a Landau-Zener approach. However, the same approach applied to molecules, where both non-dissociative and dissociative mechanisms are significant, is found to be of limited use. (author)

  6. Precursor anion states in dissociative electron attachment to chlorophenol isomers

    Science.gov (United States)

    Kossoski, F.; Varella, M. T. do N.

    2016-07-01

    We report a theoretical study on low-energy (chlorophenol isomers, namely, para-chlorophenol (pCP), meta-chlorophenol (mCP), and ortho-chlorophenol (oCP). The calculations were performed with the Schwinger multichannel method with pseudopotentials, and analysis of the computed integral cross sections and virtual orbitals revealed one σCCl ∗ , one σOH ∗ , and three π∗ shape resonances. We show that electron capture into the two lower lying π∗ orbitals initiates dissociative processes that lead to the elimination of the chloride ion, accounting for the two overlapping peaks where this fragment was observed. Despite the relatively small differences on the energetics of the π∗ resonances, a major isomeric effect was found on their corresponding autodetachment lifetimes, which accounts for the observed increasing cross sections in the progression pCP chlorophenols and phenol actually takes place by a mechanism in which the incoming electron is directly attached to the dissociative σOH ∗ orbital.

  7. A theoretical study of H-2 dissociation on (root 3x root 3)R30 degrees CO/Ru

    NARCIS (Netherlands)

    Groot, I. M. N.; Juanes-Marcos, J. C.; Olsen, R. A.; Kroes, G. J.

    2010-01-01

    We have studied the influence of preadsorbed CO on the dissociative adsorption of H-2 on Ru(0001) with density functional theory calculations. For a coverage of 1/3 ML CO, we investigated different possible reaction paths for hydrogen dissociation using nudged elastic band and adaptive nudged elasti

  8. Thermodynamic dissociation constant studies of caffeine at different temperatures and in organic water solvent mixture.

    Science.gov (United States)

    Saeeduddin; Khanzada, A W K

    2004-01-01

    Thermodynamic dissociation studies have been carried out potentiometrically at various temperatures from 25 to 50 degrees C and in 10, 20, 30 and 40% v/v dioxane-water solvent mixture at 25 degrees C. The influence of temperature and nature of solvent on dissociation equilibria of caffeine is being investigated. A computer program in GW-BASIC has been used to calculate the pK values.

  9. Marine turtle capture data

    Data.gov (United States)

    National Oceanic and Atmospheric Administration, Department of Commerce — To estimate abundance, growth, and survival rate and to collect tissue samples, marine turtles are captured at nesting beaches and foraging grounds through various...

  10. Neutrinoless double electron capture

    CERN Document Server

    Kotila, J; Iachello, F

    2015-01-01

    Direct determination of the neutrino mass is at the present time one of the most important aims of experimental and theoretical research in nuclear and particle physics. A possible way of detection is through neutrinoless double electron capture, $0\

  11. Research Reports: Hallucinogens and Dissociative Drugs

    Science.gov (United States)

    ... dangerous behavior. Hallucinogens such as LSD, psilocybin, peyote, DMT, and ayahuasca cause emotions to swing wildly and ... Dissociative Drugs? How Do Hallucinogens (LSD, Psilocybin, Peyote, DMT, and Ayahuasca) Affect the Brain and Body? What ...

  12. Dissociation of water on Ti-decorated fullerene clusters

    Directory of Open Access Journals (Sweden)

    Yongqiang Xue

    2012-03-01

    Full Text Available Spin-polarized density functional theory calculations have been applied to investigate water dissociation catalyzed by Ti adsorbed on icosahedral C20, C60 and C80 fullerene clusters, in order to elucidate the roles that cluster size and Ti-cluster interaction play in the proposed hydrogen generation reaction. We find that two water molecules can be dissociated consecutively by overcoming moderate energy barriers of a few tenths of eV, accompanied by the generation of a H2 molecule for all three clusters. Depending on the cluster size, the fullerene clusters may participate directly in water splitting or indirectly through stereochemical control of the Ti adsorption sites. Our results suggest that fullerene clusters can serve as a flexible platform for rational design of nanostructured catalysts for hydrogen generation.

  13. Formation and dissociation of dust molecules in dusty plasma

    Science.gov (United States)

    Yan, Jia; Feng, Fan; Liu, Fucheng; Dong, Lifang; He, Yafeng

    2016-09-01

    Dust molecules are observed in a dusty plasma experiment. By using measurements with high spatial resolution, the formation and dissociation of the dust molecules are studied. The ion cloud in the wake of an upper dust grain attracts the lower dust grain nearby. When the interparticle distance between the upper dust grain and the lower one is less than a critical value, the two dust grains would form a dust molecule. The upper dust grain always leads the lower one as they travel. When the interparticle distance between them is larger than the critical value, the dust molecule would dissociate. Project supported by the National Natural Science Foundation of China (Grant Nos. 11205044 and 11405042), the Natural Science Foundation of Hebei Province, China (Grant Nos. A2011201006 and A2012201015), the Research Foundation of Education Bureau of Hebei Province, China (Grant No. Y2012009), the Program for Young Principal Investigators of Hebei Province, China, and the Midwest Universities Comprehensive Strength Promotion Project, China.

  14. Shielding of CO from dissociating radiation in interstellar clouds

    Science.gov (United States)

    Glassgold, A. E.; Huggins, P. J.; Langer, W. D.

    1985-01-01

    The paper investigates the photodissociation of CO in interstellar clouds in the light of recent laboratory studies which suggest that line rather than continuum processes dominate its dissociation by ultraviolet radiation. Using a simple radiative transfer model, the shielding of representative dissociating bands is estimated, including self-shielding, mutual shielding between different isotopes, and near coincidences with strong lines of H2. Each of these processes materially affects the photodestruction rates of the various isotopic species in the transition regions of molecular clouds. These results are combined with an appropriate gas phase chemical model to determine how the abundances of the CO isotopes vary with depth into the cloud. It is found that self-shielding and mutual shielding cause significant variations in isotopic ratios. In addition, fractionation enhances species containing C-13. The relationship between the column densities of CO and H2 is found to vary for the different isotopes and to be sensitive to local conditions.

  15. Dissociation of gaseous zwitterion glycine-betaine by slow electrons.

    Science.gov (United States)

    Kopyra, J; Abdoul-Carime, H

    2010-05-28

    In this work, we investigate dissociation processes induced by low-energy electrons to gas phase N,N,N-trimethylglycine [glycine-betaine, (CH(3))(3)N(+)CH(2)COO(-)] molecules. Glycine-betaine represents a model system for zwitterions. All negative fragments are observed to be produced only at subelectronic excitation energies (<4 eV). With the exception of the loss of a neutral H atom that could arise from any C[Single Bond]H bond breaking, we tentatively suggest that the zwitterion dissociates exclusively from the fragmentation of the cation site of the molecule, subsequent to the attachment of the excess electron. Within the context of radiation induced damage to biological systems, the present findings contribute to a more complete description of the fragmentation mechanism occurring to amino acids, peptides, and proteins since they adopt usually a zwitterion structure. PMID:20515090

  16. Who Done It, Actually? Dissociative Identity Disorder for the Criminologist

    Directory of Open Access Journals (Sweden)

    Adah Sachs

    2015-07-01

    Full Text Available Dissociative Identity Disorder (DID (American Psychiatric Association 2013 is examined in this paper from the perspective of its relevance to the criminologist. As this psychiatric condition is linked to severe and prolonged childhood abuse, accounts of DID patients inevitably involve reports of serious crimes, in which the person was the victim, perpetrator or witness. These reports can thus contain crucial information for criminal investigations by the police or for court proceedings. However, due to the person’s dissociation, such reports are often very confusing, hard to follow, hard to believe and difficult to obtain. They also frequently state that the person had ‘no choice’, a thorny notion for the criminologist (as well as for the clinician. Through the analysis of clinical examples, the paper explores how decisions are made by a person with DID, the notions of choice and ‘competent reasoning’, and the practical and ethical ways for interviewing a person with DID.

  17. Stability Analysis of Methane Hydrate-Bearing Soils Considering Dissociation

    Directory of Open Access Journals (Sweden)

    Hiromasa Iwai

    2015-06-01

    Full Text Available It is well known that the methane hydrate dissociation process may lead to unstable behavior such as large ground deformations, uncontrollable gas production, etc. A linear instability analysis was performed in order to investigate which variables have a significant effect on the onset of the instability behavior of methane hydrate-bearing soils subjected to dissociation. In the analysis a simplified viscoplastic constitutive equation is used for the soil sediment. The stability analysis shows that the onset of instability of the material system mainly depends on the strain hardening-softening parameter, the degree of strain, and the permeability for water and gas. Then, we conducted a numerical analysis of gas hydrate-bearing soil considering hydrate dissociation in order to investigate the effect of the parameters on the system. The simulation method used in the present study can describe the chemo-thermo-mechanically coupled behaviors such as phase changes from hydrates to water and gas, temperature changes and ground deformation. From the numerical results, we found that basically the larger the permeability for water and gas is, the more stable the simulation results are. These results are consistent with those obtained from the linear stability analysis.

  18. Spontaneous exciton dissociation in carbon nanotubes

    OpenAIRE

    Kumamoto, Y.; Yoshida, M.; Ishii, A; Yokoyama, A.; Shimada, T; Kato, Y. K.

    2013-01-01

    Simultaneous photoluminescence and photocurrent measurements on individual single-walled carbon nanotubes reveal spontaneous dissociation of excitons into free electron-hole pairs. Correlation of luminescence intensity and photocurrent shows that a significant fraction of excitons are dissociating during their relaxation into the lowest exciton state. Furthermore, the combination of optical and electrical signals also allows for extraction of the absorption cross section and the oscillator st...

  19. Dissociative Identity Disorder: A Controversial Diagnosis

    OpenAIRE

    Gillig, Paulette Marie

    2009-01-01

    A brief description of the controversies surrounding the diagnosis of dissociative identity disorder is presented, followed by a discussion of the proposed similarities and differences between dissociative identity disorder and borderline personality disorder. The phenomenon of autohypnosis in the context of early childhood sexual trauma and disordered attachment is discussed, as is the meaning of alters or alternate personalities. The author describes recent neurosciences research that may r...

  20. Compulsive symptoms in dissociative (conversion) disorder

    OpenAIRE

    Agarwal, Arun Lata

    2006-01-01

    According to Mayer-Gross, Slater and Roth's classical textbook Clinical psychiatry, obsessive-compulsive symptoms are rarely seen in hysteria. The release of obsessive-compulsive symptoms is said to occur only in those who are constitutionally predisposed. In this context, the case of a young woman with dissociative (conversion) disorder, who presented with compulsive symptoms, is reported. In her case, the dissociative phenomena manifested as compulsive symptoms without concomitant predispos...

  1. Electron capture by fluorinated fullerene anions in collisions with Xe atoms

    DEFF Research Database (Denmark)

    Boltalina, OV; Hvelplund, P; Jørgensen, Thomas J. D.;

    2000-01-01

    Electron capture by 50-keV fluorinated fullerene anions (C60Fn- 18dissociative electron capture was found to depend strongly on the ion pro...... production method and on the number of attached F atoms. The absolute size of the cross section similar to 10(-16) cm(2) has been modeled within the over-the-barrier model......Electron capture by 50-keV fluorinated fullerene anions (C60Fn- 18dissociative electron capture was found to depend strongly on the ion...

  2. Dissociable brain biomarkers of fluid intelligence.

    Science.gov (United States)

    Paul, Erick J; Larsen, Ryan J; Nikolaidis, Aki; Ward, Nathan; Hillman, Charles H; Cohen, Neal J; Kramer, Arthur F; Barbey, Aron K

    2016-08-15

    Cognitive neuroscience has long sought to understand the biological foundations of human intelligence. Decades of research have revealed that general intelligence is correlated with two brain-based biomarkers: the concentration of the brain biochemical N-acetyl aspartate (NAA) measured by proton magnetic resonance spectroscopy (MRS) and total brain volume measured using structural MR imaging (MRI). However, the relative contribution of these biomarkers in predicting performance on core facets of human intelligence remains to be well characterized. In the present study, we sought to elucidate the role of NAA and brain volume in predicting fluid intelligence (Gf). Three canonical tests of Gf (BOMAT, Number Series, and Letter Sets) and three working memory tasks (Reading, Rotation, and Symmetry span tasks) were administered to a large sample of healthy adults (n=211). We conducted exploratory factor analysis to investigate the factor structure underlying Gf independent from working memory and observed two Gf components (verbal/spatial and quantitative reasoning) and one working memory component. Our findings revealed a dissociation between two brain biomarkers of Gf (controlling for age and sex): NAA concentration correlated with verbal/spatial reasoning, whereas brain volume correlated with quantitative reasoning and working memory. A follow-up analysis revealed that this pattern of findings is observed for males and females when analyzed separately. Our results provide novel evidence that distinct brain biomarkers are associated with specific facets of human intelligence, demonstrating that NAA and brain volume are independent predictors of verbal/spatial and quantitative facets of Gf. PMID:27184204

  3. Muon capture on 3H

    CERN Document Server

    Golak, J; Witala, H; Topolnicki, K; Kamada, H; Nogga, A; Marcucci, L E

    2016-01-01

    The muon capture on 3H leading to muonic neutrino and three neutrons in the final state is studied under full inclusion of final state interactions. Predictions for the three-body break-up of 3H are calculated with the AV18 potential, augmented by the Urbana IX three-nucleon force. Our results are based on the single nucleon weak current operator comprising the dominant relativistic corrections. This work is a natural extension of our investigations of the muon capture on 3He leading to 3H or n+d or n+n+p and muonic neutrino in the final state, presented in Phys. Rev. C90, 024001 (2014).

  4. Exciton dissociation at organic small molecule donor-acceptor interfaces (Presentation Recording)

    Science.gov (United States)

    Robey, Steven W.

    2015-08-01

    Exciton dissociation at organic semiconductor donor-acceptor (D-A) heterojunctions is critical for the performance of organic photovoltaic (OPV) structures. Interfacial charge separation and recombination processes control device efficiency. We have investigated these fundamental interfacial issues using time-resolved two-photon photoemission (TR-2PPE), coupled with the formation of well-controlled D-A structures by organic molecular beam epitaxy. The interfacial electronic and molecular structure of these model interfaces was well-characterized using scanning tunneling microscopy and ultraviolet photoemission. Exciton dissociation dynamics were investigated by using a sub-picosecond pump pulse to create Pc π-->π* transitions, producing a population of singlet (S1) Pc excitons. The subsequent decay dynamics of this population was monitored via photoemission with a time-delayed UV pulse. For CuPcC60 interfaces, S1 exciton population decay in the interfacial CuPc layer was much faster than decay in the bulk due to interfacial charge separation. The rate constant for exciton dissociation was found to be ≍ 7 x 10 12 sec-1 (≍ 140 fs). Excitons that lose energy via intersystem crossing (ISC) to triplet levels dissociate approximately 500 to 1000 times slower. The dependence of exciton dissociation on separation was also studied. Exciton dissociation falls of rapidly with distance from the interface. Dissociation from the 2nd, and subsequent, layers of H2Pc is reduced by at least a factor of 10 from that in the interfacial layer. Finally, investigations of the relative efficiency for interfacial exciton dissociation by alternative acceptors based on perylene cores, (perylene tetracarboxylic dianhydride, or PTCDA) compared to fullerene-based acceptors such as C60 will also be discussed.

  5. Dissociative Spectrum Disorders in the Primary Care Setting

    OpenAIRE

    Elmore, James L.

    2000-01-01

    Dissociative disorders have a lifetime prevalence of about 10%. Dissociative symptoms may occur in acute stress disorder, posttraumatic stress disorder, somatization disorder, substance abuse, trance and possession trance, Ganser's syndrome, and dissociative identity disorder, as well as in mood disorders, psychoses, and personality disorders. Dissociative symptoms and disorders are observed frequently among patients attending our rural South Carolina community mental health center. Given the...

  6. Formation and Dissociation of Methane Hydrates from Seawater in Consolidated Sand: Mimicking Methane Hydrate Dynamics beneath the Seafloor

    Directory of Open Access Journals (Sweden)

    Prasad B. Kerkar

    2013-11-01

    Full Text Available Methane hydrate formation and dissociation kinetics were investigated in seawater-saturated consolidated Ottawa sand-pack under sub-seafloor conditions to study the influence of effective pressure on formation and dissociation kinetics. To simulate a sub-seafloor environment, the pore-pressure was varied relative to confining pressure in successive experiments. Hydrate formation was achieved by methane charging followed by sediment cooling. The formation of hydrates was delayed with increasing degree of consolidation. Hydrate dissociation by step-wise depressurization was instantaneous, emanating preferentially from the interior of the sand-pack. Pressure drops during dissociation and in situ temperature controlled the degree of endothermic cooling within sediments. In a closed system, the post-depressurization dissociation was succeeded by thermally induced dissociation and pressure-temperature conditions followed theoretical methane-seawater equilibrium conditions and exhibited excess pore pressure governed by the pore diameter. These post-depressurization equilibrium values for the methane hydrates in seawater saturated consolidated sand-pack were used to estimate the enthalpy of dissociation of 55.83 ± 1.41 kJ/mol. These values were found to be lower than those reported in earlier literature for bulk hydrates from seawater (58.84 kJ/mol and pure water (62.61 kJ/mol due to excess pore pressure generated within confined sediment system under investigation. However, these observations could be significant in the case of hydrate dissociation in a subseafloor environment where dissociation due to depressurization could result in an instantaneous methane release followed by slow thermally induced dissociation. The excess pore pressure generated during hydrate dissociation could be higher within fine-grained sediments with faults and barriers present in subseafloor settings which could cause shifting in geological layers.

  7. Pulse width effect on the dissociation probability of CH4+ in the intense femtosecond laser field

    Institute of Scientific and Technical Information of China (English)

    WANG Gao; SONG Di; LIU Yuyan; KONG Fan'ao

    2006-01-01

    The laser pulse width effect on the dissociation probability of CH4+ irradiated by an ultrafast laser has been investigated experimentally and theoretically. The femtosecond laser at 800 nm with an intensity of 8.0 × 1013 W/cm2 was used. The observed relative yield of the primary fragment ion CH3+ increases with increasing pulse width and tends to saturate when the pulse width is longer than 120 fs. The field-assisted dissociation (FAD) model and quasi-classical trajectory (QCT) calculation were applied to predicting the dissociation probability of CH4+.The calculated probability is corrected with the molecular orientation effect and the spatial distribution of laser intensity. The modified results show that the dissociation requires at least 23 fs and saturates with long pulse widths (≥100 rs). The result is approximately consistent with the experimental observation.

  8. Dissociative electron attachments to ethanol and acetaldehyde: A combined experimental and simulation study

    Science.gov (United States)

    Wang, Xu-Dong; Xuan, Chuan-Jin; Feng, Wen-Ling; Tian, Shan Xi

    2015-02-01

    Dissociation dynamics of the temporary negative ions of ethanol and acetaldehyde formed by the low-energy electron attachments is investigated by using the anion velocity map imaging technique and ab initio molecular dynamics simulations. The momentum images of the dominant fragments O-/OH- and CH3- are recorded, indicating the low kinetic energies of O-/OH- for ethanol while the low and high kinetic energy distributions of O- ions for acetaldehyde. The CH3- image for acetaldehyde also shows the low kinetic energy. With help of the dynamics simulations, the fragmentation processes are qualitatively clarified. A new cascade dissociation pathway to produce the slow O- ion via the dehydrogenated intermediate, CH3CHO- (acetaldehyde anion), is proposed for the dissociative electron attachment to ethanol. After the electron attachment to acetaldehyde molecule, the slow CH3- is produced quickly in the two-body dissociation with the internal energy redistributions in different aspects before bond cleavages.

  9. Picosecond dissociation of amyloid fibrils with infrared laser: A nonequilibrium simulation study

    International Nuclear Information System (INIS)

    Recently, mid-infrared free-electron laser technology has been developed to dissociate amyloid fibrils. Here, we present a theoretical framework for this type of experiment based on laser-induced nonequilibrium all-atom molecular dynamics simulations. We show that the fibril is destroyed due to the strong resonance between its amide I vibrational modes and the laser field. The effects of laser irradiation are determined by a balance between fibril formation and dissociation. While the overall rearrangements of the fibril finish over short time scales, the interaction between the peptides and the solvent continues over much longer times indicating that the waters play an important role in the dissociation process. Our results thus provide new insights into amyloid fibril dissociation by laser techniques and open up new venues to investigate the complex phenomena associated with amyloidogenesis

  10. Quantum–classical correspondence and the role of the dipole function in molecular dissociation

    Energy Technology Data Exchange (ETDEWEB)

    Lima, E.F. de, E-mail: eflima@rc.unesp.br [Instituto de Geociências e Ciências Exatas, UNESP – Univ. Estadual Paulista, Rio Claro, São Paulo 13506-900 (Brazil); Rosado, E.C., E-mail: tcortez@rc.unesp.br [Departamento de Física, Universidade Federal de São Carlos, São Carlos, São Paulo 13565-905 (Brazil); Castelano, L.K., E-mail: lkcastelano@ufscar.br [Departamento de Física, Universidade Federal de São Carlos, São Carlos, São Paulo 13565-905 (Brazil); Egydio de Carvalho, R., E-mail: regydio@rc.unesp.br [Instituto de Geociências e Ciências Exatas, UNESP – Univ. Estadual Paulista, Rio Claro, São Paulo 13506-900 (Brazil)

    2014-07-18

    We consider the quantum and classical dissociation dynamics of heteronuclear diatomic molecules induced by infrared laser pulses. The field–molecule interaction is given by the product of the time-dependent electric field and the molecule permanent dipole. We investigate the influence of the dipole function in molecular dissociation. We show that the dissociation can be suppressed at certain external field frequencies for a nonlinear and finite-range dipole function. The correspondence between quantum and classical results is established by relating classical Fourier amplitudes to discrete–continuum quantum matrix elements. - Highlights: • A finite-range dipole can prevent laser-induced dissociation for particular external frequencies. • Quantum and classical calculations show good agreement when the system is initially in excited levels. • An approximation of discrete–continuum matrix elements by Fourier components is obtained.

  11. Picosecond dissociation of amyloid fibrils with infrared laser: A nonequilibrium simulation study

    Energy Technology Data Exchange (ETDEWEB)

    Hoang Viet, Man; Roland, Christopher, E-mail: cmroland@ncsu.edu; Sagui, Celeste, E-mail: sagui@ncsu.edu [Department of Physics, North Carolina State University, Raleigh, North Carolina 27695-8202 (United States); Derreumaux, Philippe; Nguyen, Phuong H., E-mail: phuong.nguyen@ibpc.fr [Laboratoire de Biochimie Théorique, UPR 9080, CNRS Université Denis Diderot, Sorbonne Paris Cité IBPC, 13 rue Pierre et Marie Curie, 75005 Paris (France); Li, Mai Suan [Institute of Physics, Polish Academy of Sciences, Al. Lotnikow 32/46, 02-668 Warsaw (Poland); Institute for Computational Science and Technology, SBI Building, Quang Trung Software City, Tan Chanh Hiep Ward, District 12, Ho Chi Minh City (Viet Nam)

    2015-10-21

    Recently, mid-infrared free-electron laser technology has been developed to dissociate amyloid fibrils. Here, we present a theoretical framework for this type of experiment based on laser-induced nonequilibrium all-atom molecular dynamics simulations. We show that the fibril is destroyed due to the strong resonance between its amide I vibrational modes and the laser field. The effects of laser irradiation are determined by a balance between fibril formation and dissociation. While the overall rearrangements of the fibril finish over short time scales, the interaction between the peptides and the solvent continues over much longer times indicating that the waters play an important role in the dissociation process. Our results thus provide new insights into amyloid fibril dissociation by laser techniques and open up new venues to investigate the complex phenomena associated with amyloidogenesis.

  12. Dynamical Process of Dissociation of Excitons in Polymer Chains with Impurities

    Institute of Scientific and Technical Information of China (English)

    ZHAO Hong-Xia; ZHAO Hui; CHEN Yu-Guang

    2011-01-01

    @@ Within an extended Su-Schrieffer-Heeger model including impurity interactions,the dynamical process of exciton dissociation in the presence of an external electric field is investigated by using a non-adiabatic evolution method Under the action of impurities,the stability as well as the effective mass of the exciton is reduced.Our results show that the field required to dissociate the excitons depends sensitively on the strength of the impurity potential.As the impurity potential strength increases,the dissociation field decreases effectively.The theoretical results are expected to provide useful predictions concerning which polymers with properly impurity-assisted interactions are likely to be more suitable for use in organic solar cells.%Within an extended Su-Schrieffer-Heeger model including impurity interactions, the dynamical process ofexciton dissociation in the presence of an external electric field is investigated by using a non-adiabatic evolution method. Under the action of impurities, the stability as well as the effective mass of the exciton is reduced. Our results show that the field required to dissociate the excitons depends sensitively on the strength of the impurity potential. As the impurity potential strength increases, the dissociation field decreases effectively. The theoretical results are expected to provide useful predictions concerning which polymers with properly impurity-assisted interactions are likely to be more suitable for use in organic solar cells.

  13. Studies on plasma dissociation of zircon

    International Nuclear Information System (INIS)

    Zircon (zirconium silicate) is a major source of zirconium metal. Extraction of zirconium involves chlorination step to convert zirconium silicate to ZrCl4 and SiCl4. SiCl4 is separated and zirconium tetrachloride is reduced with magnesium to yield zirconium metal. Instead of this direct chlorination of zircon, it can be converted to zirconia by thermal plasma dissociation followed by alkali leaching process to separate silica. The resulting zirconium oxide can be used for zirconium extraction. This would result in considerable savings of chlorine consumption and also would eliminate the SiCl4 separation step. The Laser and Plasma Technology Division has developed a 20 kW laboratory 1 scale plasma reactor, which consists of a DC plasma torch mounted on a water cooled reaction chamber, DC power source, water cooling and gas feed system and a powder feeder. The system has been used to study in-flight dissociation of zircon in the thermal plasma jet. Dissociation studies were carried out over 5-16 kW power range. The plasma processed product was characterized by x-ray diffraction technique, which showed that it consisted of zirconium dioxide and silica. The extent of dissociation was estimated by gravimetric method involving alkali leaching of silica. Results of the study indicate that the extent of dissociation strongly depends on input power and other parameters such as plasma gas flow rate. Complete dissociation could be achieved at an input power of 12 kW. The average temperature at the nozzle exit of the plasma torch has been calculated for various input power levels. Calculations on heat transfer to the particles and residence time required to effect dissociation of zircon particles injected in the plasma jet have been carried out for various input power levels and particle sizes ranging from 20-150 microns. Details of the experiments and results will be discussed in the paper. (author)

  14. Quantum entanglement and the dissociation process of diatomic molecules

    Energy Technology Data Exchange (ETDEWEB)

    Esquivel, Rodolfo O; Molina-Espiritu, Moyocoyani [Departamento de Quimica, Universidad Autonoma Metropolitana, 09340-Mexico DF (Mexico); Flores-Gallegos, Nelson [Unidad Profesional Interdisciplinaria de IngenierIa, Campus Guanajuato del Instituto Politecnico Nacional, 36275-Guanajuato (Mexico); Plastino, A R; Angulo, Juan Carlos; Dehesa, Jesus S [Instituto Carlos I de Fisica Teorica y Computacional, and Departamento de Fisica Atomica, Molecular y Nuclear, Universidad de Granada, 18071-Granada (Spain); Antolin, Juan, E-mail: esquivel@xanum.uam.mx, E-mail: arplastino@ugr.es [Departamento de Fisica Aplicada, EUITIZ, Universidad de Zaragoza, 50018-Zaragoza (Spain)

    2011-09-14

    In this work, we investigate quantum entanglement-related aspects of the dissociation process of some selected, representative homo- and heteronuclear diatomic molecules. This study is based upon high-quality ab initio calculations of the (correlated) molecular wavefunctions involved in the dissociation processes. The values of the electronic entanglement characterizing the system in the limit cases corresponding to (i) the united-atom representation and (ii) the asymptotic region when atoms dissociate are discussed in detail. It is also shown that the behaviour of the electronic entanglement as a function of the reaction coordinate R exhibits remarkable correspondences with the phenomenological description of the physically meaningful regimes comprising the processes under study. In particular, the extrema of the total energies and the electronic entanglement are shown to be associated with the main physical changes experienced by the molecular spatial electronic density, such as charge depletion and accumulation or bond cleavage regions. These structural changes are characterized by several selected descriptors of the density, such as the Laplacian of the electronic molecular distributions (LAP), the molecular electrostatic potential (MEP) and the atomic electric potentials fitted to the MEP.

  15. [Dissociating between Enhancing and Impairing Effects of Emotion on Cognition].

    Science.gov (United States)

    Dolcos, Florin; Denkova, Ekaterina

    2016-01-01

    Objectives Emerging evidence suggests that emotion can have both enhancing and impairing effects on various cognitive processes. These opposing effects can be identified at different levels, both within the same cognitive process and across different processes, as well as at more general levels, such as in the case of the response to stress. The aim of the present review is to discuss recent advances in the mechanisms underlying the enhancing and impairing effects of emotion on different aspects within the same process (e.g., episodic memory) and across specific cognitive processes (perception vs. episodic memory, working memory vs. episodic memory), as well as in the context of the response to stress.Emerging Evidence The available evidence points to a number of aspects that dissociate the opposing effects of emotion on cognition. (i) Opposing effects within episodic memory can be attributed to different accounts, involving dissociation at different levels: central vs. peripheral trade-off, high vs. low prioritization of information processing, and items encoding vs. the formation of complex associations. (ii) The opposing effects across cognitive processes, such as perception and episodic memory, can be linked to dissociation between immediate/impairing vs. long-term/enhancing effects, which are mediated by common and dissociable neural mechanisms, involving bottom-up and top-down processes. (iii) Finally, in the larger context of the response to stress, emotional stress can lead to opposing effects depending on the degree, context, and controllability of the stressors.Conclusions Overall, the present review highlights the need to consider the various factors that can influence enhancing or impairing effects of emotion on cognition, in studies investigating emotion-cognition interactions. These issues are important for understanding mechanisms of emotion-cognition interactions not only in healthy functioning but also in emotional disturbances, where these

  16. Dissociation of CO induced by He2+ ions : II. Dissociation pathways and states

    NARCIS (Netherlands)

    Schlatholter, T; Hoekstra, R; Morgenstern, R

    1997-01-01

    The dissociation of COq+ ions (q less than or equal to 3) produced in collisions of 2-10 keV amu(-1) He2+ ions with CO has been studied by time-of-flight methods. From the time-of-flight spectra the energy released in the dissociation process is determined. Our results for the kinetic energy release

  17. K*-charmonium dissociation cross sections and charmonium dissociation rates in hadronic matter

    Science.gov (United States)

    Liu, Feng-Rong; Ji, Shi-Tao; Xu, Xiao-Ming

    2016-08-01

    K*-charmonium dissociation reactions in hadronic matter are studied in the Born approximation, in the quark-interchange mechanism, and with a temperature-dependent quark potential. We obtain the temperature dependence of the unpolarized cross sections for the reactions K^* J/ψ to bar DD_s^ + ,bar D^* D_s^ + ,bar DD_s^{* + } , and bar D^* D_s^{* + } ; K^* χ _c to bar DD_s^ + ,bar D^* D_s^ + ,bar DD_s^{* + } , and bar D^* D_s^{* + } . We use the cross sections for charmonium dissociation in collisions with pions, ρ mesons, kaons, vector kaons, and η mesons to calculate the dissociation rates of charmonium with five types of mesons. Because of the temperature dependence of the meson masses, dissociation cross sections, and meson distribution functions, the charmonium dissociation rates generally increase with increasing temperature and decrease with increasing charmonium momentum from 2.2 GeV/c. We find that the first derivative of the dissociation rate with respect to the charmonium momentum is zero when the charmonium is at rest. While the η + ψ' and the η + χ c dissociation reactions can be neglected, the J/ ψ, ψ', and χ c dissociations are caused by collisions with pions, ρ mesons, kaons, vector kaons, and η mesons.

  18. US Spacesuit Knowledge Capture

    Science.gov (United States)

    Chullen, Cinda; Thomas, Ken; McMann, Joe; Dolan, Kristi; Bitterly, Rose; Lewis, Cathleen

    2011-01-01

    The ability to learn from both the mistakes and successes of the past is vital to assuring success in the future. Due to the close physical interaction between spacesuit systems and human beings as users, spacesuit technology and usage lends itself rather uniquely to the benefits realized from the skillful organization of historical information; its dissemination; the collection and identification of artifacts; and the education of those in the field. The National Aeronautics and Space Administration (NASA), other organizations and individuals have been performing United States (U.S.) Spacesuit Knowledge Capture since the beginning of space exploration. Avenues used to capture the knowledge have included publication of reports; conference presentations; specialized seminars; and classes usually given by veterans in the field. More recently the effort has been more concentrated and formalized whereby a new avenue of spacesuit knowledge capture has been added to the archives in which videotaping occurs engaging both current and retired specialists in the field presenting technical scope specifically for education and preservation of knowledge. With video archiving, all these avenues of learning can now be brought to life with the real experts presenting their wealth of knowledge on screen for future learners to enjoy. Scope and topics of U.S. spacesuit knowledge capture have included lessons learned in spacesuit technology, experience from the Gemini, Apollo, Skylab and Shuttle programs, hardware certification, design, development and other program components, spacesuit evolution and experience, failure analysis and resolution, and aspects of program management. Concurrently, U.S. spacesuit knowledge capture activities have progressed to a level where NASA, the National Air and Space Museum (NASM), Hamilton Sundstrand (HS) and the spacesuit community are now working together to provide a comprehensive closed-looped spacesuit knowledge capture system which includes

  19. Determination of the Neutron-Capture Rate of 17C for the R-process Nucleosynthesis

    NARCIS (Netherlands)

    Heine, M.; Typel, S.; Wu, M. -R.; Adachi, T.; Aksyutina, Y.; Alcantara, J.; Altstadt, S.; Alvarez-Pol, H.; Ashwood, N.; Aumann, T.; Avdeichikov, V.; Barr, M.; Beceiro-Novo, S.; Bemmerer, D.; Benlliure, J.; Bertulani, C. A.; Boretzky, K.; Borge, M. J. G.; Burgunder, G.; Caamano, M.; Caesar, C.; Casarejos, E.; Catford, W.; Cederkäll, J.; Chakraborty, S.; Chartier, M.; Chulkov, L. V.; Cortina-Gil, D.; Crespo, R.; Pramanik, U. Datta; Fernandez, P. Diaz; Dillmann, I.; Elekes, Z.; Enders, J.; Ershova, O.; Estrade, A.; Farinon, F.; Fraile, L. M.; Freer, M.; Freudenberger, M.; Fynbo, H. O. U.; Galaviz, D.; Geissel, H.; Gernhäuser, R.; Göbel, K.; Golubev, P.; Diaz, D. Gonzalez; Hagdahl, J.; Heftrich, T.; Heil, M.; Heinz, A.; Henriques, A.; Holl, M.; Ickert, G.; Ignatov, A.; Jakobsson, B.; Johansson, H. T.; Jonson, B.; Kalantar-Nayestanaki, N.; Kanungo, R.; Kelic-Heil, A.; Knöbel, R.; Kröll, T.; Krücken, R.; Kurcewicz, J.; Kurz, N.; Labiche, M.; Langer, C.; Bleis, T. Le; Lemmon, R.; Lepyoshkina, O.; Lindberg, S.; Machado, J.; Marganiec, J.; Martínez-Pinedo, G.; Maroussov, V.; Mostazo, M.; Movsesyan, A.; Najafi, A.; Neff, T.; Nilsson, T.; Nociforo, C.; Panin, V.; Paschalis, S.; Perea, A.; Petri, M.; Pietri, S.; Plag, R.; Prochazka, A.; Rahaman, A.; Rastrepina, G.; Reifarth, R.; Ribeiro, G.; Ricciardi, M. V.; Rigollet, C.; Riisager, K.; Röder, M.; Rossi, D.; Rio, J. Sanchez del; Savran, D.; Scheit, H.; Simon, H.; Sorlin, O.; Stoica, V.; Streicher, B.; Taylor, J. T.; Tengblad, O.; Terashima, S.; Thies, R.; Togano, Y.; Uberseder, E.; Walle, J. Van de; Velho, P.; Volkov, V.; Wagner, A.; Wamers, F.; Weick, H.; Weigand, M.; Wheldon, C.; Wilson, G.; Wimmer, C.; Winfield, J. S.; Woods, P.; Yakorev, D.; Zhukov, M. V.; Zilges, A.; Zuber, K.

    2016-01-01

    With the R$^{3}$B-LAND setup at GSI we have measured exclusive relative-energy spectra of the Coulomb dissociation of $^{18}$C at a projectile energy around 425~AMeV on a lead target, which are needed to determine the radiative neutron-capture cross sections of $^{17}$C into the ground state of $^{1

  20. Proton capture resonance studies

    Energy Technology Data Exchange (ETDEWEB)

    Mitchell, G.E. [North Carolina State University, Raleigh, North Carolina (United States) 27695]|[Triangle Universities Nuclear Laboratory, Durham, North Carolina (United States) 27708; Bilpuch, E.G. [Duke University, Durham, North Carolina (United States) 27708]|[Triangle Universities Nuclear Laboratory, Durham, North Carolina (United States) 27708; Bybee, C.R. [North Carolina State University, Raleigh, North Carolina (United States) 27695]|[Triangle Universities Nuclear Laboratory, Durham, North Carolina (United States) 27708; Cox, J.M.; Fittje, L.M. [Tennessee Technological University, Cookeville, Tennessee (United States) 38505]|[Triangle Universities Nuclear Laboratory, Durham, North Carolina (United States) 27708; Labonte, M.A.; Moore, E.F.; Shriner, J.D. [North Carolina State University, Raleigh, North Carolina (United States) 27695]|[Triangle Universities Nuclear Laboratory, Durham, North Carolina (United States) 27708; Shriner, J.F. Jr. [Tennessee Technological University, Cookeville, Tennessee (United States) 38505]|[Triangle Universities Nuclear Laboratory, Durham, North Carolina (United States) 27708; Vavrina, G.A. [North Carolina State University, Raleigh, North Carolina (United States) 27695]|[Triangle Universities Nuclear Laboratory, Durham, North Carolina (United States) 27708; Wallace, P.M. [Duke University, Durham, North Carolina (United States) 27708]|[Triangle Universities Nuclear Laboratory, Durham, North Carolina (United States) 27708

    1997-02-01

    The fluctuation properties of quantum systems now are used as a signature of quantum chaos. The analyses require data of extremely high quality. The {sup 29}Si(p,{gamma}) reaction is being used to establish a complete level scheme of {sup 30}P to study chaos and isospin breaking in this nuclide. Determination of the angular momentum J, the parity {pi}, and the isospin T from resonance capture data is considered. Special emphasis is placed on the capture angular distributions and on a geometric description of these angular distributions. {copyright} {ital 1997 American Institute of Physics.}

  1. The co-occurrence of PTSD and dissociation: differentiating severe PTSD from dissociative-PTSD

    DEFF Research Database (Denmark)

    Armour, C.; Karstoft, K. I.; Richardson, J. D.

    2014-01-01

    A dissociative-posttraumatic stress disorder (PTSD) subtype has been included in the DSM-5. However, it is not yet clear whether certain socio-demographic characteristics or psychological/clinical constructs such as comorbid psychopathology differentiate between severe PTSD and dissociative...... were assessed with the Clinician Administered PTSD Scale (CAPS) and self-report measures of traumatic life events, depression, and anxiety. CAPS severity scores were created reflecting the sum of the frequency and intensity items from each of the 17 PTSD and 3 dissociation items. The CAPS severity...... constituted a severe PTSD group (30.5 %), and one of which constituted a dissociative-PTSD group (13.7 %). None of the included, demographic, trauma, or clinical covariates were significantly predictive of membership in the dissociative-PTSD group compared to the severe PTSD group. In conclusion...

  2. Isotherm-Based Thermodynamic Models for Solute Activities of Organic Acids with Consideration of Partial Dissociation.

    Science.gov (United States)

    Nandy, Lucy; Ohm, Peter B; Dutcher, Cari S

    2016-06-23

    Organic acids make up a significant fraction of the organic mass in atmospheric aerosol particles. The calculation of gas-liquid-solid equilibrium partitioning of the organic acid is therefore critical for accurate determination of atmospheric aerosol physicochemical properties and processes such as new particle formation and activation to cloud condensation nuclei. Previously, an adsorption isotherm-based statistical thermodynamic model was developed for capturing solute concentration-activity relationships for multicomponent aqueous solutions over the entire concentration range (Dutcher et al. J. Phys. Chem. C/A 2011, 2012, 2013), with model parameters for energies of adsorption successfully related to dipole-dipole electrostatic forces in solute-solvent and solvent-solvent interactions for both electrolytes and organics (Ohm et al. J. Phys. Chem. A 2015). However, careful attention is needed for weakly dissociating semivolatile organic acids. Dicarboxylic acids, such as malonic acid and glutaric acid are treated here as a mixture of nondissociated organic solute (HA) and dissociated solute (H(+) + A(-)). It was found that the apparent dissociation was greater than that predicted by known dissociation constants alone, emphasizing the effect of dissociation on osmotic and activity coefficient predictions. To avoid additional parametrization from the mixture approach, an expression was used to relate the Debye-Hückel hard-core collision diameter to the adjustable solute-solvent intermolecular distance. An improved reference state treatment for electrolyte-organic aqueous mixtures, such as that observed here with partial dissociation, has also been proposed. This work results in predictive correlations for estimation of organic acid and water activities for which there is little or no activity data. PMID:27222917

  3. Phobos' Low Bulk Density: Evidence Against a Capture Origin?

    Science.gov (United States)

    Dalle Ore, C.; Pajola, M.; Lazzarin, M.; Roush, T. L.; Cruikshank, D. P.; Pendleton, Y. J.; Carli, C.; Bertini, I.; Magrin, S.; La Forgia, F.; Barbieri, C.

    2014-12-01

    Phobos' low density of 1.876 ± 0.02 g/cm3 (Andert et al., 2010, Witasse et al., 2013, Paetzold et al., 2013) supports its formation from a disk of debris (Peale 2007). The disk would either be a remnant of the formation of Mars (Safronov et al., 1986) or the result of a collision between Mars and a large body (Craddock 1994, 2011; Singer 2007). Within this scenario a large interior porosity would be responsible for the low density of the re-accreted material forming Phobos. Thermal emission spectra of Phobos suggest an ultramafic composition with the presence of phyllosilicates and feldspathoids in some regions (Giuranna et al., 2011), consistent with Phobos' in situ formation (Giuranna et al., 2011). However, the 0.3-4.0 μm surface spectra taken from multiple areas of the body in more than 43 years of observations (Duxbury et al., 2013), show physical characteristics similar to low-albedo asteroids such as C-type (Masursky et al., 1972, Pang et al., 1980) or D-type (Murchie 1999, Rivkin et al., 2002, Lynch et al., 2007, Pajola et al., 2012). They argue in favor of an asteroidal capture scenario that could be explained by binary asteroid dissociation (Landis 2009) or by collisional capture in the Martian orbital region (Pajola et al., 2012). Finally recent work by Schmedemann et al., (2014) indicates Phobos' surface to be ~ 4.3 - 3.7 Ga, dating back to a period where there was an intensification in the number of impactors in the inner Solar System (Gomes et al., 2005), and supporting both the in-situ and the capture scenario. Pajola et al. (2013) match the surface reflectance of Phobos from 0.4 to 4.0 μm with a mineralogical model composed of a mixture of Tagish Lake meteorite (TL) and Pyroxene Glass (PM80). Based on the published model, we adopted the weighted TL and PM80 densities to investigate if the low bulk density of Phobos could conform with these components reconciling both inner properties and surface spectra. While the TL density is available from

  4. CAPTURED End Evaluation Synthesis Report

    NARCIS (Netherlands)

    Brouwers, J.H.A.M.

    2012-01-01

    This report provides the findings of the Synthesis Study of the CAPTURED Evaluation and is produced as part of the overall CAPTURED End Evaluation. After five years of support by the CAPTURED project the three CAPTURED partners have achieved commendable results. Ten lessons learned are formulated th

  5. Quarkonium suppression: Gluonic dissociation vs. colour screening

    Indian Academy of Sciences (India)

    Binoy Krishna Patra; Dinesh Kumar Srivastava

    2003-05-01

    We evaluate the suppression of / production in an equilibrating quark gluon plasma for two competing mechanisms: Debye screening of colour interaction and dissociation due to energetic gluons. Results are obtained for S + S and Au + Au collisions at RHIC and LHC energies. At RHIC energies the gluonic dissociation of the charmonium is found to be equally important for both the systems while the screening of the interaction plays a significant role only for the larger systems. At LHC energies the Debye mechanism is found to dominate both the systems. While considering the suppression of directly produced $\\Upsilon$ at LHC energies, we find that only the gluonic dissociation mechanism comes into play for the initial conditions taken from the self screened parton cascade model in these studies.

  6. Mechanism and Kinetics Analysis of NO/SO2/N2/O2 Dissociation Reactions in Non-Thermal Plasma

    Institute of Scientific and Technical Information of China (English)

    WANG Xinliang; LI Tingting; WEI Dongxiang; WEI Yanli; GU Fan

    2008-01-01

    The kinetics mechanism of the dissociation reactions in a NO/SO2/N2/O2 system was investigated in consideration of energetic electrons' impacts on a non-thermal plasma. A model was derived from the Boltzmann equation and molecule collision theory to predict the dissociation reaction rate coefficients. Upon comparison with available literature, the model was confirmed to be acceptably accurate in general. Several reaction rate coefficients of the NO/SO2/N2/O2 dissociation system were derived according to the Arrhenius formula. The activation energies of each plasma reaction were calculated by quantum chemistry methods. The relation between the dissociation reaction rate coefficient and electron temperature was established to describe the importance of each reaction and to predict relevant processes of gaseous chemical reactions. The sensitivity of the mechanism of NO/SO2/N2/O2 dissociation reaction in a non-thermal plasma was also analysed.

  7. Redox control of fast ligand dissociation from Escherichia coli cytochrome bd

    International Nuclear Information System (INIS)

    Bacterial bd-type quinol oxidases, such as cytochrome bd from Escherichia coli, contain three hemes, but no copper. In contrast to heme-copper oxidases and similarly to globins, single electron-reduced cytochrome bd forms stable complexes with O2, NO and CO at ferrous heme d. Kinetics of ligand dissociation from heme d 2+ in the single electron- and fully-reduced cytochrome bd from E. coli has been investigated by rapid mixing spectrophotometry at 20 oC. Data show that (i) O2 dissociates at 78 s-1 (ii) NO and CO dissociation is fast as compared to heme-copper oxidases and (iii) dissociation in the single electron-reduced state is hindered as compared to the fully-reduced enzyme. Presumably, rapid ligand dissociation requires reduced heme b 595. As NO, an inhibitor of respiratory oxidases, is involved in the immune response against microbial infection, the rapid dissociation of NO from cytochrome bd may have important bearings on the patho-physiology of enterobacteria

  8. PKCδ regulates force signaling during VEGF/CXCL4 induced dissociation of endothelial tubes.

    Directory of Open Access Journals (Sweden)

    Joshua Jamison

    Full Text Available Wound healing requires the vasculature to re-establish itself from the severed ends; endothelial cells within capillaries must detach from neighboring cells before they can migrate into the nascent wound bed to initiate angiogenesis. The dissociation of these endothelial capillaries is driven partially by platelets' release of growth factors and cytokines, particularly the chemokine CXCL4/platelet factor-4 (PF4 that increases cell-cell de-adherence. As this retraction is partly mediated by increased transcellular contractility, the protein kinase c-δ/myosin light chain-2 (PKCδ/MLC-2 signaling axis becomes a candidate mechanism to drive endothelial dissociation. We hypothesize that PKCδ activation induces contractility through MLC-2 to promote dissociation of endothelial cords after exposure to platelet-released CXCL4 and VEGF. To investigate this mechanism of contractility, endothelial cells were allowed to form cords following CXCL4 addition to perpetuate cord dissociation. In this study, CXCL4-induced dissociation was reduced by a VEGFR inhibitor (sunitinib malate and/or PKCδ inhibition. During combined CXCL4+VEGF treatment, increased contractility mediated by MLC-2 that is dependent on PKCδ regulation. As cellular force is transmitted to focal adhesions, zyxin, a focal adhesion protein that is mechano-responsive, was upregulated after PKCδ inhibition. This study suggests that growth factor regulation of PKCδ may be involved in CXCL4-mediated dissociation of endothelial cords.

  9. Experimental Study on Mechanism of Depressurizing Dissociation of Methane Hydrate under Saturated Pore Fluid

    Institute of Scientific and Technical Information of China (English)

    Sun Youhong; Su Kai; Guo Wei; Li Bing; Jia Rui

    2016-01-01

    Sediment-hosted hydrate reservoir often contains saturated pore lfuid, which changes the heat transfer and mass transfer characteristics of the hydrate reservoir. The exploitation of hydrate under saturated pore lfuid using depressurization is simulated experimentally to investigate the inlfuence of particle size of porous media, dissociation temperature, pressure drop and injected lfuid type on gas production behavior. Homogeneous methane hydrate was ifrstly formed in frozen quartz sand. With the formed hydrate sample, hydrate dissociation experiments by depressurization were conducted. The test results showed that the gas production rate of hydrate under saturated pore lfuid was substantially inlfuenced by the particle size, the pressure drop and the injected lfuid type, while it was inlfuenced little by the dissociation temperature. The hydrate dissociates faster under larger pressure drop and in the presence of smaller porous media within the experimental region. The dissociation rate increases with an increasing lfuid salinity in the initial stage, while it decreases in the later stage. The increase of gas diffusion resistance resulted from ionic hydration atmosphere in saturated chloride solution impeded the dissociation of hydrate. It can be solved by increasing the pressure drop and decreasing the lfuid salinity in the process of gas recovery from hydrate reservoir.

  10. Heat Transfer Analysis of Methane Hydrate Sediment Dissociation in a Closed Reactor by a Thermal Method

    Directory of Open Access Journals (Sweden)

    Mingjun Yang

    2012-05-01

    Full Text Available The heat transfer analysis of hydrate-bearing sediment involved phase changes is one of the key requirements of gas hydrate exploitation techniques. In this paper, experiments were conducted to examine the heat transfer performance during hydrate formation and dissociation by a thermal method using a 5L volume reactor. This study simulated porous media by using glass beads of uniform size. Sixteen platinum resistance thermometers were placed in different position in the reactor to monitor the temperature differences of the hydrate in porous media. The influence of production temperature on the production time was also investigated. Experimental results show that there is a delay when hydrate decomposed in the radial direction and there are three stages in the dissociation period which is influenced by the rate of hydrate dissociation and the heat flow of the reactor. A significant temperature difference along the radial direction of the reactor was obtained when the hydrate dissociates and this phenomenon could be enhanced by raising the production temperature. In addition, hydrate dissociates homogeneously and the temperature difference is much smaller than the other conditions when the production temperature is around the 10 °C. With the increase of the production temperature, the maximum of ΔToi grows until the temperature reaches 40 °C. The period of ΔToi have a close relation with the total time of hydrate dissociation. Especially, the period of ΔToi with production temperature of 10 °C is twice as much as that at other temperatures. Under these experimental conditions, the heat is mainly transferred by conduction from the dissociated zone to the dissociating zone and the production temperature has little effect on the convection of the water in the porous media.

  11. Dissociative Recombination of Molecular Ions for Astrochemistry

    Science.gov (United States)

    Novotny, Oldrich; Becker, A.; Buhr, H.; Fleischmann, Andreas; Gamer, Lisa; Geppert, W.; Krantz, C.; Kreckel, H.; Schwalm, D.; Spruck, K.; Wolf, A.; Savin, Daniel Wolf

    2014-06-01

    Dissociative recombination (DR) of molecular ions is a key chemical process in the cold interstellar medium (ISM). DR affects the composition, charge state, and energy balance of such environments. Astrochemical models of the ISM require reliable total DR cross sections as well as knowledge of the chemical composition of the neutral DR products. We have systematically measured DR for many astrophysically relevant molecular ions utilizing the TSR storage ring at the Max-Planck-Institute for Nuclear Physics (MPIK) in Heidelberg, Germany. We used the merged ion-electron beam technique combined with an energy- and position-sensitive imaging detector and are able to study DR down to plasma temperatures as low as 10 K. The DR count rate is used to obtain an absolute merged beams DR rate coefficient from which we can derive a thermal rate coefficient needed for plasma models. Additionally we determine the masses of the DR products by measuring their kinetic energy in the laboratory reference frame. This allows us to assign particular DR fragmentation channels and to obtain their branching ratios. All this information is particularly important for understanding DR of heteronuclear polyatomic ions. We will present DR results for several ions recently investigated at TSR. A new Cryogenic Storage Ring (CSR) is currently being commissioned at MPIK. With the chamber cooled down to ~10 K and a base pressure better than 10-13 mbar, this setup will allow internal cooling of the stored ions down to their rotational ground states, thus opening a new era in DR experiments. New technological challenges arise due to the ultracold, ultra-high vacuum environment of the CSR and thus the detection techniques used at TSR cannot be easily transferred to CSR. We will present new approaches for DR fragment detection in cryogenic environment. This work is supported in part by NASA and the NSF.

  12. Carbon monoxide dissociative attachment and resonant dissociation by electron-impact

    Science.gov (United States)

    Laporta, V.; Tennyson, J.; Celiberto, R.

    2016-02-01

    Low-energy dissociative electron attachment and resonant electron impact dissociation of CO molecule are considered. Ro-vibrationally resolved cross sections and rate coefficients for both the processes are calculated using an ab-initio model based on the low-lying \\text{X}{{}2}\\Pi resonance of CO-. Final results show that the cross sections increases very rapidly as a function of the ro-vibrational level; these cross sections should be useful for understanding kinetic dissociation of CO in strongly non-equilibrium plasmas.

  13. Poissonian Reducibility and Thermal Scaling in Nuclear Dissociation

    Institute of Scientific and Technical Information of China (English)

    马余刚; 朱志远; 张虎勇; 余礼平; 蔡翔舟; 方德清; 钟晨; 沈文庆

    2001-01-01

    The emission of clusters in nuclear dissociation was investigated within the framework of the isospin dependent lattice gas model. As observed in the recent experimental data, it was found that the emission probability of individual clusters is Poissonian and thermal scaling was observed in the linear Arrhenius plots made from the average multiplicity of each cluster as a function of the inverse temperature. The 'emission barriers' were extracted from the slopes of the Arrhenius plots and mainly depend on the surface energy of the cluster.

  14. Blackbody-induced radiative dissociation of cationic SF 6 clusters

    DEFF Research Database (Denmark)

    Toker, Jonathan; Rahinov, I.; Schwalm, D.;

    2012-01-01

    The stability of cationic SF5+(SF6)n−1 clusters was investigated by measuring their blackbody-induced radiative dissociation (BIRD) rates. The clusters were produced in a supersonic expansion ion source and stored in an electrostatic ion-beam trap at room temperature, where their abundances...... and lifetimes were measured. Using the “master equation” approach, relative binding energies of an SF6 unit in the clusters could be extracted from the storage-time dependence of the survival probabilities. The results allow for a deeper insight into the effect of a localized charge on the structure...... and stability of SF6-based clusters....

  15. Microstructural and analytical analysis of plasma dissociated zircon

    International Nuclear Information System (INIS)

    The investigation of the microstructure and distribution of impurities was carried out on plasma dissociated zircon (PDZ). The morphology of the PDZ and crystalline nature of the zirconia was determined by scanning electron microscopy (SEM) and transmission electron microscopy (TEM) while energy dispersive X-ray spectrometry (EDS) provided compositional information. The SEM and TEM results indicate that the morphology and crystalline nature of the zirconia varies as a result of the existence of a thermal gradient. The EDS results show that the majority of the impurities segregates to the silica phase of the PDZ.

  16. Intramolecular and dissociation dynamics of the CF2Br radical

    Science.gov (United States)

    Bintz, Karen L.; Thompson, Donald L.; Gosnell, T. R.; Hay, P. Jeffrey

    1992-11-01

    Classical trajectory methods were used to investigate the nature of the intramolecular dynamics (quasiperiodic vs chaotic) of the CF2Br radical. The potential energy surface is based on empirical and ab initio results. Power spectra show that the Br-C-F bend exhibits quasiperiodic dynamics while the other modes are chaotic. Despite the presence of quasiperiodic dynamics, the dissociation rates for mode-specific excitations of the normal modes are essentially the same as those for equipartitioning of the excitation energy among all the normal modes.

  17. Laser capture microscopy

    OpenAIRE

    Curran, S.; McKay, J A; McLeod, H L; Murray, G I

    2000-01-01

    Human tissues are composed of complex admixtures of different cell types and their biologically meaningful analysis necessitates the procurement of pure samples of the cells of interest. Many approaches have been used in attempts to overcome this difficulty, including a variety of microdissection methods. This review concerns a recent advance in microdissection techniques, namely laser capture microdissection (LCM). The principle underlying this technique is outlined, and practical issues per...

  18. Supernova electron capture rates

    CERN Document Server

    Martínez-Pinedo, G

    1999-01-01

    We have calculated the Gamow-Teller strength distributions for the ground states and low lying states of several nuclei that play an important role in the precollapse evolution of supernova. The calculations reproduce the experimental GT distributions nicely. The GT distribution are used to calculate electron capture rates for typical presupernova conditions. The computed rates are noticeably smaller than the presently adopted rates. The possible implications for the supernova evolution are discussed.

  19. Modelling of tetrahydrofuran promoted gas hydrate systems for carbon dioxide capture processes

    DEFF Research Database (Denmark)

    Herslund, Peter Jørgensen; Thomsen, Kaj; Abildskov, Jens;

    2014-01-01

    accurate descriptions of both fluid- and hydrate phase equilibria in the studied system and its subsystems. The developed model is applied to simulate two simplified, gas hydrate-based processes for post-combustion carbon dioxide capture from power station flue gases. The first process, an unpromoted...... hydrate process, operates isothermally at a temperature of 280. K. Applying three consecutive hydrate formation/dissociation stages (three-stage capture process), a carbon dioxide-rich product (97. mol%) is finally delivered at a temperature of 280. K and a pressure of 3.65. MPa. The minimum pressure...... requirement of the first stage is estimated to be 24.9. MPa, corresponding to the incipient hydrate dissociation pressure at 280. K for the considered flue gas. A second simulated carbon dioxide capture process uses tetrahydrofuran as a thermodynamic promoter to reduce the pressure requirements. By doing so...

  20. A gas chromatograph for quantification of peroxycarboxylic nitric anhydrides calibrated by thermal dissociation cavity ring-down spectroscopy

    Directory of Open Access Journals (Sweden)

    T. W. Tokarek

    2014-06-01

    Full Text Available The peroxycarboxylic nitric anhydrides (PANs, molecular formula RC(OO2NO2 can readily be observed by gas chromatography coupled to electron capture detection (PAN-GC. Calibration of a PAN-GC remains a challenge because the response factors (RF's differ for each of the PANs and because their synthesis in sufficiently high purity is non-trivial, in particular for PANs containing unsaturated side chains. In this manuscript, a PAN-GC and its calibration using diffusion standards, whose output was quantified by blue diode laser thermal dissociation cavity ring-down spectroscopy (TD-CRDS, are described. The PAN-GC peak areas correlated linearly with total peroxy nitrate (ΣPN mixing ratios measured by TD-CRDS (r > 0.96. Accurate determination of RF's required the concentrations of PAN impurities in the synthetic standards to be subtracted from ΣPN. The PAN-GC and its TD-CRDS calibration method were deployed during ambient air measurement campaigns in Abbotsford, BC, from 20 July to 5 August, 2012, and during the Fort McMurray Oil Sands Strategic Investigation of Local Sources (FOSSILS campaign at the AMS13 ground site in Fort McKay, AB, from 10 August to 5 September 2013. For the Abbotsford data set, the PAN-GC mixing ratios were compared and agreed with those determined in parallel by thermal dissociation chemical ionization mass spectrometry (TD-CIMS. Advantages and disadvantages of the PAN measurement techniques used in this work and the utility of TD-CRDS as a PAN-GC calibration method are discussed.

  1. Thermal dissociation of copper chalcogenides during melting

    Science.gov (United States)

    Pavlova, L. M.; Glazov, V. M.; Asryan, A. A.

    1998-01-01

    An attempt was undertaken to describe the mechanism of dissociation of copper chalcogenides during melting. Two-stage schemes of the dissociation of the Cu2BVI compounds (BVI is S, Se, or Te) were proposed. It was suggested that in the copper-sulfur and copper-selenium melts, Cu2BVI and CuBVI associates exist, whereas in the copper tellurium systems, Cu2Te and Cu5Te3 associates exist. The interpretation of available data on magnetic susceptibility was given in terms of suggested associates in Cu-Te alloys. Nous avons essayé de décrire le mécanisme de dissociation des chalcogénures de cuivre pendant la fusion. Nous proposons des schémas à deux étapes de dissociation pour les composés Cu2BVI (BVI est S, Se, ou Te). Nous suggérons l'existence dans le bain fondu cuivre-soufre et cuivre-sélénium des associés du type Cu2BVI et CuBVI et dans le système cuivre-tellure Cu2Te et Cu5Te3. L'interprétation des données disponibles de susceptibilité magnétique est réalisée en termes de formation d'associés dans les alliages Cu-Te.

  2. Nucleon-XcJ Dissociation Cross Sections

    Institute of Scientific and Technical Information of China (English)

    冯又层; 许晓明; 周代翠

    2002-01-01

    Nucleon-XcJ dissociation cross sections are calculated in a constituent interexchange model in which quark-quark potential is derived from the Buchmüller-Tye quark-anti-quark potential. These new cross sections for dominant reaction channels depend on the centre-of-mass energy of the nucleon and the charmonium.

  3. Visuomotor Dissociation in Cerebral Scaling of Size

    NARCIS (Netherlands)

    Potgieser, Adriaan R E; de Jong, Bauke M

    2016-01-01

    Estimating size and distance is crucial in effective visuomotor control. The concept of an internal coordinate system implies that visual and motor size parameters are scaled onto a common template. To dissociate perceptual and motor components in such scaling, we performed an fMRI experiment in whi

  4. Coherent dissociation of relativistic 12N nuclei

    International Nuclear Information System (INIS)

    The dissociation of relativistic 12N nuclei having a momentum of 2 GeV/c per nucleon and undergoing the most peripheral interactions in a track emulsion is studied. The picture of charged topology of product ensembles of relativistic fragments and special features of their angular distributions are presented

  5. From dissociated hegemony towards embedded hegemony

    NARCIS (Netherlands)

    Gaay Fortman, B. de; Dhanrajgir, Nikhil

    2005-01-01

    An earlier paper by the second author, entitled ‘Bella Americana: Some Consequences for the International Community’ [1], dealt with the background and consequences of the American dissociation from the international legal and political order created after World War II. The current article examines

  6. Ultrafast charge separation in organic photovoltaics enhanced by charge delocalization and vibronically hot exciton dissociation

    CERN Document Server

    Tamura, Hiroyuki

    2013-01-01

    In organic photovoltaics, the mechanism by which free electrons and holes are generated overcoming the Coulomb attraction is a currently much debated topic. To elucidate this mechanism at a molecular level, we carried out a combined electronic structure and quantum dynamical analysis that captures the elementary events from the exciton dissociation to the free carrier generation at polymer/fullerene donor-acceptor heterojunctions. Our calculations show that experimentally observed efficient charge separations can be explained by a combination of two effects: First, the delocalization of charges which substantially reduces the Coulomb barrier, and second, the vibronically hot nature of the charge transfer state which promotes charge dissociation beyond the barrier. These effects facilitate an ultrafast charge separation even at low-band-offset heterojunctions.

  7. Experimental Dissociation of Methane Hydrates Through Depressurization

    Science.gov (United States)

    Borgfeldt, T.; Flemings, P. B.; Meyer, D.; You, K.

    2015-12-01

    We dissociated methane hydrates by stepwise depressurization. The initial hydrates were formed by injecting gas into a cylindrical sample of brine-saturated, coarse-grained sand at hydrate-stable conditions with the intention of reaching three-phase equilibrium. The sample was initially at 1°C with a pore pressure of 1775 psi and a salinity of 7 wt. % NaBr. The depressurization setup consisted of one pump filled with tap water attached to the confining fluid port and a second pump attached to the inlet port where the methane was injected. Depressurization was conducted over sixteen hours at a constant temperature of 1°C. The pore pressure was stepwise reduced from 1775 psi to atmospheric pressure by pulling known volumes of gas from the sample. After each extraction, we recorded the instantaneous and equilibrium pore pressure. 0.503 moles of methane were removed from the sample. The pore pressure decreased smoothly and nonlinearly with the cumulative gas withdrawn from the sample. We interpret that hydrate began to dissociate immediately with depressurization, and it continued to dissociate when the pressure decreased below the three-phase pressure for 1°C and 0 wt. % salinity. Two breaks in slope in the pressure vs. mass extracted data are bounded by smooth, nonlinear curves with differing slopes on either side. We attribute the breaks to dissociation of three zones of hydrate concentration. We created a box model to simulate the experimental behavior. For a 10% initial gas saturation (estimated from the hydrate formation experiment and based on mass conservation), an initial hydrate saturation of 55% is required to match the total methane extracted from the sample. Future experiments will be conducted over a longer timespan while monitoring hydrate dissociation with CT imaging throughout the process.

  8. Use of an intense microwave laser to dissociate a diatomic molecule: Theoretical prediction of dissociation dynamics

    Indian Academy of Sciences (India)

    Amita Wadehra; B M Deb

    2012-01-01

    By employing an intense microwave laser of wavelength 116.65 m with intensities 1 × 1013 and 5 × 1018Wcm−2, respectively, the conclusion is reached theoretically and computationally that it is possible to dissociate the CO molecule, modelled as a Morse oscillator. It is predicted that for above-threshold dissociation (ATD), the molecule should absorb 1044 photons of the given wavelength in order to reach the lowest edge of the vibrational continuum. A consistent analysis of the predicted dissociation process is provided though the time-dependent probability density, dissociation probability, norm, potential function, HHG and ATD spectra, obtained by numerically solving the time-dependent vibrational Schödinger equation.

  9. Psychobiological characteristics of dissociative identity disorder : A symptom provocation study

    NARCIS (Netherlands)

    Reinders, A. A. T. Simone; Nijenhuis, Ellert R. S.; Quak, Jacqueline; Korf, Jakob; Haaksma, Jaap; Paans, Anne M. J.; Willemsen, Antoon T. M.; den Boer, Johan A.

    2006-01-01

    Background: Dissociative identity disorder (DID) patients function as two or more identities or dissociative identity states (DIS), categorized as 'neutral identity states' (NIS) and 'traumatic identity states' (TIS). NIS inhibit access to traumatic memories thereby enabling daily life functioning.

  10. Thermal dissociation behavior and dissociation enthalpies of methane-carbon dioxide mixed hydrates

    Energy Technology Data Exchange (ETDEWEB)

    Kwon, T.H.; Kneafsey, T.J.; Rees, E.V.L.

    2011-02-15

    Replacement of methane with carbon dioxide in hydrate has been proposed as a strategy for geologic sequestration of carbon dioxide (CO{sub 2}) and/or production of methane (CH{sub 4}) from natural hydrate deposits. This replacement strategy requires a better understanding of the thermodynamic characteristics of binary mixtures of CH{sub 4} and CO{sub 2} hydrate (CH{sub 4}-CO{sub 2} mixed hydrates), as well as thermophysical property changes during gas exchange. This study explores the thermal dissociation behavior and dissociation enthalpies of CH{sub 4}-CO{sub 2} mixed hydrates. We prepared CH{sub 4}-CO{sub 2} mixed hydrate samples from two different, well-defined gas mixtures. During thermal dissociation of a CH{sub 4}-CO{sub 2} mixed hydrate sample, gas samples from the head space were periodically collected and analyzed using gas chromatography. The changes in CH{sub 4}-CO{sub 2} compositions in both the vapor phase and hydrate phase during dissociation were estimated based on the gas chromatography measurements. It was found that the CO{sub 2} concentration in the vapor phase became richer during dissociation because the initial hydrate composition contained relatively more CO{sub 2} than the vapor phase. The composition change in the vapor phase during hydrate dissociation affected the dissociation pressure and temperature; the richer CO{sub 2} in the vapor phase led to a lower dissociation pressure. Furthermore, the increase in CO{sub 2} concentration in the vapor phase enriched the hydrate in CO{sub 2}. The dissociation enthalpy of the CH{sub 4}-CO{sub 2} mixed hydrate was computed by fitting the Clausius-Clapeyron equation to the pressure-temperature (PT) trace of a dissociation test. It was observed that the dissociation enthalpy of the CH{sub 4}-CO{sub 2} mixed hydrate lays between the limiting values of pure CH{sub 4} hydrate and CO{sub 2} hydrate, increasing with the CO{sub 2} fraction in the hydrate phase.

  11. Direct non-dissociative and dissociative ionization of CO2 by positron impact

    International Nuclear Information System (INIS)

    Detailed measurements of the cross-section for non-dissociative ionization of CO2 are presented and compared with available experimental and theoretical results. An excellent agreement is found with the energy dependence of another experimental determination; however, uncertainties exist over the magnitude. Also presented are the preliminary results for the combined cross-section for direct dissociative ionization of CO2 into O+ or C+

  12. New aspects of the neutron capture in light nuclei

    Energy Technology Data Exchange (ETDEWEB)

    Mengoni, A. [Institute of Physical and Chemical Research, Wako, Saitama (Japan)

    1997-03-01

    Several neutron capture cross sections of light nuclei (A {<=} 40) for neutron energies up to the MeV region have been recently calculated. Examples are (target nuclei): {sup 12}C, {sup 13}C, {sup 16}O and {sup 10}Be. The results of these calculations will be shown together with a comparison with the most recent experimental data. In the case of n + {sup 10}Be case, the cross section of the inverse process (Coulomb dissociation of {sup 11}Be) is considered and compared with the measurement. A discussion on the relevant nuclear structure information required for the evaluation of nuclear data of light nuclei is given. (author)

  13. Does phasic trauma treatment make patients with dissociative identity disorder treatment more dissociative?

    Science.gov (United States)

    Brand, Bethany; Loewenstein, Richard J

    2014-01-01

    Proponents of the iatrogenic model of the etiology of dissociative identity disorder (DID) have expressed concern that treatment focused on direct engagement and interaction with dissociated self-states harms DID patients. However, empirical data have shown that this type of DID treatment is beneficial. Analyzing data from the prospective Treatment of Patients With Dissociative Disorders (TOP DD) Study, we test empirically whether DID treatment is associated with clinically adverse manifestations of dissociated self-states: acting so differently that one feels like different people, hearing voices, and dissociative amnesia. We show that, over the course of the study, there were significant decreases in feeling like different people and hearing voices. These results indicate that this form of DID treatment does not lead to symptomatic worsening in these dimensions, as predicted by the iatrogenic model. Indeed, treatment provided by TOP DD therapists reduced, rather than increased, the extent to which patients experienced manifestations of pathological dissociation. Because severe symptomatology and impairment are associated with DID, iatrogenic harm may come from depriving DID patients of treatment that targets DID symptomatology. PMID:24377972

  14. Lunar Sulfur Capture System Project

    Data.gov (United States)

    National Aeronautics and Space Administration — The Lunar Sulfur Capture System (LSCS) is an innovative method to capture greater than 90 percent of sulfur gases evolved during thermal treatment of lunar soils....

  15. Development, Reliability, and Validity of a Child Dissociation Scale.

    Science.gov (United States)

    Putnam, Frank W.; And Others

    1993-01-01

    Evaluation of the Child Dissociative Checklist found it to be a reliable and valid observer report measure of dissociation in children, including sexually abused girls and children with dissociative disorder and with multiple personality disorder. The checklist, which is appended, is intended as a clinical screening instrument and research measure…

  16. Rate coefficients for dissociative attachment and resonant electron-impact dissociation involving vibrationally excited O{sub 2} molecules

    Energy Technology Data Exchange (ETDEWEB)

    Laporta, V. [Istituto di Metodologie Inorganiche e dei Plasmi, CNR, Bari, Italy and Department of Physics and Astronomy, University College London, London WC1E 6BT (United Kingdom); Celiberto, R. [Dipartimento di Ingegneria Civile, Ambientale, del Territorio, Edile e di Chimica, Politecnico di Bari, Italy and Istituto di Metodologie Inorganiche e dei Plasmi, CNR, Bari (Italy); Tennyson, J. [Department of Physics and Astronomy, University College London, London WC1E 6BT (United Kingdom)

    2014-12-09

    Rate coefficients for dissociative electron attachment and electron-impact dissociation processes, involving vibrationally excited molecular oxygen, are presented. Analytical fits of the calculated numerical data, useful in the applications, are also provided.

  17. Multiphonon capture processes in self-assembled quantum dots

    DEFF Research Database (Denmark)

    Magnúsdóttir, Ingibjörg; Uskov, A.; Bischoff, Svend;

    2001-01-01

    We investigate capture of carriers from states in the continuous part of the energy spectrum into the discrete states of self-assembled InAs/GaAs QDs via emission of one or two phonons. We are not aware of any other investigations of two-phonon mediated capture processes in QDs, but we show that ...

  18. Kinetics of CH4 and CO2 hydrate dissociation and gas bubble evolution via MD simulation.

    Science.gov (United States)

    Uddin, M; Coombe, D

    2014-03-20

    Molecular dynamics simulations of gas hydrate dissociation comparing the behavior of CH4 and CO2 hydrates are presented. These simulations were based on a structurally correct theoretical gas hydrate crystal, coexisting with water. The MD system was first initialized and stabilized via a thorough energy minimization, constant volume-temperature ensemble and constant volume-energy ensemble simulations before proceeding to constant pressure-temperature simulations for targeted dissociation pressure and temperature responses. Gas bubble evolution mechanisms are demonstrated as well as key investigative properties such as system volume, density, energy, mean square displacements of the guest molecules, radial distribution functions, H2O order parameter, and statistics of hydrogen bonds. These simulations have established the essential similarities between CH4 and CO2 hydrate dissociation. The limiting behaviors at lower temperature (no dissociation) and higher temperature (complete melting and formation of a gas bubble) have been illustrated for both hydrates. Due to the shift in the known hydrate stability curves between guest molecules caused by the choice of water model as noted by other authors, the intermediate behavior (e.g., 260 K) showed distinct differences however. Also, because of the more hydrogen-bonding capability of CO2 in water, as reflected in its molecular parameters, higher solubility of dissociated CO2 in water was observed with a consequence of a smaller size of gas bubble formation. Additionally, a novel method for analyzing hydrate dissociation based on H-bond breakage has been proposed and used to quantify the dissociation behaviors of both CH4 and CO2 hydrates. Activation energies Ea values from our MD studies were obtained and evaluated against several other published laboratory and MD values. Intrinsic rate constants were estimated and upscaled. A kinetic reaction model consistent with macroscale fitted kinetic models has been proposed to

  19. Assessment of dissociation among combat-exposed soldiers with and without posttraumatic stress disorder

    Directory of Open Access Journals (Sweden)

    Barbaros Özdemir

    2015-04-01

    Full Text Available Background: Dissociation is a disruption of and/or discontinuity in the normal, subjective integration of one or more aspects of psychological functioning, including memory, identity, consciousness, perception, and motor control. A limited number of studies investigated combat-related dissociation. Objective: The primary aim of this study was to evaluate the relationship between dissociative symptoms and combat-related trauma. Method: This study included 184 individuals, including 84 patients who were exposed to combat and diagnosed with posttraumatic stress disorder (PTSD (Group I, 50 subjects who were exposed to combat but were not diagnosed with PTSD (Group II, and 50 healthy subjects without combat exposure (Group III. The participants were evaluated using the Dissociative Experiences Scale (DES to determine their total and sub-factor (i.e., amnesia, depersonalization/derealization, and absorption dissociative symptom levels. In addition, Group I and Group II were compared with respect to the relationship between physical injury and DES scores. Results: The mean DES scores (i.e., total and sub-factors of Group I were higher than those of Group II (p30 was highest in Group I, followed by Group II and Group III. When we compared combat-exposed subjects with high total DES scores, Group I had higher scores than Group II. In contrast, no relationship between the presence of bodily injury and total DES scores could be demonstrated. In addition, our results demonstrated that high depersonalization/derealization factor scores were correlated with bodily injury in PTSD patients. A similar relationship was found between high absorption factor scores and bodily injury for Group II. Conclusions: Our results demonstrated that the level of dissociation was significantly higher in subjects with combat-related PTSD than in subjects without combat-related PTSD. In addition, combat-exposed subjects without PTSD also had higher dissociation levels than

  20. Three-body dissociations: The photodissociation of dimethyl sulfoxide at 193 nm

    Energy Technology Data Exchange (ETDEWEB)

    Blank, D.A.; North, S.W.; Stranges, D. [Lawrence Berkeley National Lab., CA (United States)] [and others

    1997-04-01

    When a molecule with two equivalent chemical bonds is excited above the threshold for dissociation of both bonds, how the rupture of the two bonds is temporally coupled becomes a salient question. Following absorption at 193 nm dimethyl sulfoxide (CH{sub 3}SOCH{sub 3}) contains enough energy to rupture both C-S bonds. This can happen in a stepwise (reaction 1) or concerted (reaction 2) fashion where the authors use rotation of the SOCH{sub 3} intermediate prior to dissociation to define a stepwise dissociation: (1) CH{sub 3}SOCH{sub 3} {r_arrow} 2CH{sub 3} + SO; (2a) CH{sub 3}SOCH{sub 3} {r_arrow} CH{sub 3} + SOCH{sub 3}; and (2b) SOCH{sub 3} {r_arrow} SO + CH{sub 3}. Recently, the dissociation of dimethyl sulfoxide following absorption at 193 nm was suggested to involve simultaneous cleavage of both C-S bonds on an excited electronic surface. This conclusion was inferred from laser induced fluorescence (LIF) and resonant multiphoton ionization (2+1 REMPI) measurements of the internal energy content in the CH{sub 3} and SO photoproducts and a near unity quantum yield measured for SO. Since this type of concerted three body dissociation is very interesting and a rather rare event in photodissociation dynamics, the authors chose to investigate this system using the technique of photofragment translational spectroscopy at beamline 9.0.2.1. The soft photoionization provided by the VUV undulator radiation allowed the authors to probe the SOCH{sub 3} intermediate which had not been previously observed and provided good evidence that the dissociation of dimethyl sulfoxide primarily proceeds via a two step dissociation, reaction 2.

  1. Synovectomy by Neutron capture

    International Nuclear Information System (INIS)

    The Synovectomy by Neutron capture has as purpose the treatment of the rheumatoid arthritis, illness which at present does not have a definitive curing. This therapy requires a neutron source for irradiating the articulation affected. The energy spectra and the intensity of these neutrons are fundamental since these neutrons induce nuclear reactions of capture with Boron-10 inside the articulation and the freely energy of these reactions is transferred at the productive tissue of synovial liquid, annihilating it. In this work it is presented the neutron spectra results obtained with moderator packings of spherical geometry which contains in its center a Pu239 Be source. The calculations were realized through Monte Carlo method. The moderators assayed were light water, heavy water base and the both combination of them. The spectra obtained, the average energy, the neutron total number by neutron emitted by source, the thermal neutron percentage and the dose equivalent allow us to suggest that the moderator packing more adequate is what has a light water thickness 0.5 cm (radius 2 cm) and 24.5 cm heavy water (radius 26.5 cm). (Author)

  2. Capturing lightness between contours.

    Science.gov (United States)

    Vergeer, Mark; van Lier, Rob

    2010-01-01

    Homogeneously coloured bars may exhibit lightness differences at the intersections. A well-known example is the Hermann grid illusion, where crossing white bars on a black background show dark patches at the crossings. Jung (1973, Handbook of Sensory Physiology volume VII/3, pp 1-152) found that the dark patches persist when thin outlines are drawn at the intersections, and are even visible in foveal vision. Recently, it has been shown that making distortions to the contours of a Hermann grid-like configuration results in the disappearance of the illusory dark spots (Geier et al, 2008 Perception 37 651 665). We show that thin outlines at the crossings of the distorted Hermann grid induce lightness differences in the same direction as in the original Hermann grid illusion, even in foveal vision and in displays consisting of two crossing bars. Our experiments reveal that the induced lightness differences are independent of the luminance polarity and shape of the contours at the intersection. We suggest that the effect results from lateral inhibition and an additional spreading and capturing of these differences between luminance contours. A similar capturing between collinear contours may play a role in peripheral vision in the original Hermann grid.

  3. Use of Computed X-ray Tomographic Data for Analyzing the Thermodynamics of a Dissociating Porous Sand/Hydrate Mixture

    Science.gov (United States)

    Freifeld, Barry M.; Kneafsey, Timothy J.; Tomutsa, Liviu; Stern, Laura A.; Kirby, Stephen H.

    2002-02-28

    X-ray computed tomography (CT) is a method that has been used extensively in laboratory experiments for measuring rock properties and fluid transport behavior. More recently, CT scanning has been applied successfully to detect the presence and study the behavior of naturally occurring hydrates. In this study, we used a modified medical CT scanner to image and analyze the progression of a dissociation front in a synthetic methane hydrate/sand mixture. The sample was initially scanned under conditions at which the hydrate is stable (atmospheric pressure and liquid nitrogen temperature, 77 K). The end of the sample holder was then exposed to the ambient air, and the core was continuously scanned as dissociation occurred in response to the rising temperature. CT imaging captured the advancing dissociation front clearly and accurately. The evolved gas volume was monitored as a function of time. Measured by CT, the advancing hydrate dissociation front was modeled as a thermal conduction problem explicitly incorporating the enthalpy of dissociation, using the Stefan moving-boundary-value approach. The assumptions needed to perform the analysis consisted of temperatures at the model boundaries. The estimated value for thermal conductivity of 2.6 W/m K for the remaining water ice/sand mixture is higher than expected based on conduction alone; this high value may represent a lumped parameter that incorporates the processes of heat conduction, methane gas convection, and any kinetic effects that occur during dissociation. The technique presented here has broad implications for future laboratory and field testing that incorporates geophysical techniques to monitor gas hydrate dissociation.

  4. Long-term outcome and prognosis of dissociative disorder with onset in childhood or adolescence

    Directory of Open Access Journals (Sweden)

    Wewetzer Christoph

    2008-07-01

    Full Text Available Abstract Background In the majority of cases short-term treatment outcome of juvenile dissociative disorder is rather favourable. In contrast, the long-term course seems to be less positive, but meaningful results are still fragmentary. The aim of this follow-up study is to bridge this gap to some extent describing the long-term outcome of juvenile dissociative disorder in a clinical sample. To our knowledge there is no comparable other long-term follow-up study which is based on a case definition according to actual classification systems using standardized interviews for individual assessment of the patients at the time of follow-up. Methods The total study group was made up of all patients treated for dissociative disorder at our department for child and adolescent psychiatry between 1983 and 1992 (N = 62. Two of these former patients committed suicide during the follow-up period (3%. We got information on the clinical course of 27 former patients (44%. 17 out of these 27 former patients were female (63%. The mean age of onset of dissociative disorder was11.7 years and the mean follow-up time was 12.4 years. Most of the patients were reassessed personally (n = 23 at a mean age of 24.8 years using structured interviews covering dissociative disorders, other Axis I disorders and personality disorders (Heidelberg Dissociation Inventory HDI; Expert System for Diagnosing Mental Disorders, DIA-X; Structured Clinical Interview for DSM-IV, SCID-II. Social adjustment was assessed by a semi-structured interview and by patient self report (Social Adjustment Scale – Self Report, SAS-SR. Psychosocial outcome variables were additionally assessed in 36 healthy controls (67% female, mean age = 22.9 years. Results At the time of follow-up investigation 82.6% of the patients met the criteria for some form of psychiatric disorder, while 26.1% were still suffering from dissociative disorder. A total of 56.5% presented with an Axis I disorder (especially

  5. Coulomb dissociation of $^{20,21}$N

    CERN Document Server

    Röder, Marko; Aksyutina, Yulia; Alcantara, Juan; Altstadt, Sebastian; Alvarez-Pol, Hector; Ashwood, Nicholas; Atar, Leyla; Aumann, Thomas; Avdeichikov, Vladimir; Barr, M; Beceiro, Saul; Bemmerer, Daniel; Benlliure, Jose; Bertulani, Carlos; Boretzky, Konstanze; Borge, Maria J G; Burgunder, G; Caamano, Manuel; Caesar, Christoph; Casarejos, Enrique; Catford, Wilton; Cederkall, Joakim; Chakraborty, S; Chartier, Marielle; Chulkov, Leonid; Cortina-Gil, Dolores; Crespo, Raquel; Pramanik, Ushasi Datta; Diaz-Fernandez, Paloma; Dillmann, Iris; Elekes, Zoltan; Enders, Joachim; Ershova, Olga; Estrade, A; Farinon, F; Fraile, Luis M; Freer, Martin; Freudenberger, M; Fynbo, Hans; Galaviz, Daniel; Geissel, Hans; Gernhäuser, Roman; Göbel, Kathrin; Golubev, Pavel; Diaz, Diego Gonzalez; Hagdahl, Julius; Heftrich, Tanja; Heil, Michael; Heine, Marcel; Heinz, Andreas; Henriques, Ana; Holl, Matthias; Ickert, G; Ignatov, Alexander; Jakobsson, Bo; Johansson, Hakan; Jonson, Björn; Kalantar-Nayestanaki, Nasser; Kanungo, Rituparna; Kelic-Heil, Aleksandra; Knöbel, Ronja; Kröll, Thorsten; Krücken, Reiner; Kurcewicz, J; Kurz, Nikolaus; Labiche, Marc; Langer, Christoph; Bleis, Tudi Le; Lemmon, Roy; Lepyoshkina, Olga; Lindberg, Simon; Machado, Jorge; Marganiec, Justyna; Caro, Magdalena Mostazo; Movsesyan, Alina; Najafi, Mohammad Ali; Nilsson, Thomas; Nociforo, Chiara; Panin, Valerii; Paschalis, Stefanos; Perea, Angel; Petri, Marina; Pietri, S; Plag, Ralf; Prochazka, A; Rahaman, Md Anisur; Rastrepina, Ganna; Reifarth, Rene; Ribeiro, Guillermo; Ricciardi, M Valentina; Rigollet, Catherine; Riisager, Karsten; Rossi, Dominic; Saez, Jose Sanchez del Rio; Savran, Deniz; Scheit, Heiko; Simon, Haik; Sorlin, Olivier; Stoica, V; Streicher, Branislav; Taylor, Jon; Tengblad, Olof; Terashima, Satoru; Thies, Ronja; Togano, Yasuhiro; Uberseder, Ethan; Van de Walle, J; Velho, Paulo; Volkov, Vasily; Wagner, Andreas; Wamers, Felix; Weick, Helmut; Weigand, Mario; Wheldon, Carl; Wilson, G; Wimmer, Christine; Winfield, J S; Woods, Philip; Yakorev, Dmitry; Zhukov, Mikhail; Zilges, Andreas; Zuber, Kai

    2016-01-01

    Neutron-rich light nuclei and their reactions play an important role for the creation of chemical elements. Here, data from a Coulomb dissociation experiment on $^{20,21}$N are reported. Relativistic $^{20,21}$N ions impinged on a lead target and the Coulomb dissociation cross section was determined in a kinematically complete experiment. Using the detailed balance theorem, the $^{19}\\mathrm{N}(\\mathrm{n},\\gamma)^{20}\\mathrm{N}$ and $^{20}\\mathrm{N}(\\mathrm{n},\\gamma)^{21}\\mathrm{N}$ excitation functions and thermonuclear reaction rates have been determined. The $^{19}\\mathrm{N}(\\mathrm{n},\\gamma)^{20}\\mathrm{N}$ rate is up to a factor of 5 higher at $T<1$\\,GK with respect to previous theoretical calculations, leading to a 10\\,\\% decrease in the predicted fluorine abundance.

  6. The charmonium dissociation in an "anomalous wind"

    CERN Document Server

    Sadofyev, Andrey V

    2016-01-01

    We study the charmonium dissociation in a strongly coupled chiral plasma in the presence of magnetic field and axial charge imbalance. This type of plasma carries ``anomalous flow" induced by the chiral anomaly and exhibits novel transport phenomena such as chiral magnetic effect. We found that the ``anomalous flow" would modify the charmonium color screening length by using the gauge/gravity correspondence. We derive an analytical expression quantifying the ``anomalous flow" experienced by a charmonium for a large class of chiral plasma with a gravity dual. We elaborate on the similarity and {\\it qualitative} difference between anomalous effects on the charmonium color screening length which are {\\it model-dependent} and those on the heavy quark drag force which are fixed by the second law of thermodynamics. We speculate on the possible charmonium dissociation induced by chiral anomaly in heavy ion collisions.

  7. Grammatical category dissociation in multilingual aphasia.

    Science.gov (United States)

    Faroqi-Shah, Yasmeen; Waked, Arifi N

    2010-03-01

    Word retrieval deficits for specific grammatical categories, such as verbs versus nouns, occur as a consequence of brain damage. Such deficits are informative about the nature of lexical organization in the human brain. This study examined retrieval of grammatical categories across three languages in a trilingual person with aphasia who spoke Arabic, French, and English. In order to delineate the nature of word production difficulty, comprehension was tested, and a variety of concomitant lexical-semantic variables were analysed. The patient demonstrated a consistent noun-verb dissociation in picture naming and narrative speech, with severely impaired production of verbs across all three languages. The cross-linguistically similar noun-verb dissociation, coupled with little evidence of semantic impairment, suggests that (a) the patient has a true "nonsemantic" grammatical category specific deficit, and (b) lexical organization in multilingual speakers shares grammatical class information between languages. The findings of this study contribute to our understanding of the architecture of lexical organization in bilinguals.

  8. Multiphoton dissociative ionization of molecular deuterium

    International Nuclear Information System (INIS)

    The kinetic energy spectra of deuterium ions produced from D2 arising from collision-free subpicosecond irradiation at 248 nm with intensities spanning the 10/sup 13/--10/sup 16/-W/cm2 range have been measured by time-of-flight analysis. The behaviors of the kinetic energy distributions of the fragments and the relative abundances of atomic (D+) and molecular (D2+) ions reveal the presence of two mechanisms of multiphoton dissociative ionization. Calibration of the energy scale for D+ is facilitated by comparison with He/sup 2+/. For intensities in the 10/sup 13/--10/sup 15/-W/cm2 region, intermediate three-photon resonances and the optical Stark shift play important roles. At an intensity /similar to/0/sup 16/ W/cm2, a direct transition from the molecular ground state to the dissociative ionic level appears as a significant channel. No evidence of direct double ionization was observed

  9. Stability evaluation of hydrate-bearing sediments during thermally-driven hydrate dissociation

    Science.gov (United States)

    Kwon, T.; Cho, G.; Santamarina, J.; Kim, H.; Lee, J.

    2009-12-01

    Hydrate-bearing sediments may destabilize spontaneously as part of geological processes, unavoidably during petroleum drilling/production operations, or intentionally as part of gas extraction from the hydrate itself. In all cases, high pore fluid pressure generation is anticipated during hydrate dissociation. This study examined how thermal changes destabilize gas hydrate-bearing sediments. First, an analytical formulation was derived for predicting fluid pressure evolution in hydrate-bearing sediments subjected to thermal stimulation without mass transfer. The formulation captures the self-preservation behavior, calculates the hydrate and free gas quantities during dissociation, considering effective stress-controlled sediment compressibility and gas solubility in aqueous phase. Pore fluid pressure generation is proportional to the initial hydrate fraction and the sediment bulk stiffness; is inversely proportional to the initial gas fraction and gas solubility; and is limited by changes in effective stress that cause the failure of the sediment. Second, the analytical formulation for hydrate dissociation was incorporated as a user-defined function into a verified finite difference code (FLAC2D). The underlying physical processes of hydrate-bearing sediments, including hydrate dissociation, self-preservation, pore pressure evolution, gas dissolution, and sediment volume expansion, were coupled with the thermal conduction, pore fluid flow, and mechanical response of sediments. We conducted the simulations for a duration of 20 years, assuming a constant-temperature wellbore transferred heat to the surrounding hydrate-bearing sediments, resulting in dissociation of methane hydrate in the well vicinity. The model predicted dissociation-induced excess pore fluid pressures which resulted in a large volume expansion and plastic deformation of the sediments. Furthermore, when the critical stress was reached, localized shear failure of the sediment around the borehole was

  10. Dissociations between developmental dyslexias and attention deficits

    OpenAIRE

    Limor eLukov; Naama eFriedmann; Lilach eShalev; Lilach eKhentov-Kraus; Nir eShalev; Rakefet eLorber; Revital eGuggenheim

    2015-01-01

    We examine whether attention deficits underlie developmental dyslexia, or certain types of dyslexia, by presenting double dissociations between the two. We took into account the existence of distinct types of dyslexia and of attention deficits, and focused on dyslexias that may be thought to have an attentional basis: letter position dyslexia (LPD), in which letters migrate within words, attentional dyslexia (AD), in which letters migrate between words, neglect dyslexia, in which letters on o...

  11. Three competitive dissociation pathways of glyoxalate

    Institute of Scientific and Technical Information of China (English)

    2008-01-01

    Three possible lower barrier dissociation pathways of the deportonated glyoxylic acid in aqueous solution axe predicated by means of B3LYP and CCSD(T) (single-point) methods. The calculated results suggest that the formation of formate ion is the energetically most favorable process, and that the decomposition reaction is occurring through nucleophilic attack of negatively charged carboxylic oxygen on the a-carbon. This is in good agreement with the proposed mechanisms of the mass spectrometry experiment.

  12. Workshop on neutron capture therapy

    International Nuclear Information System (INIS)

    Potentially optimal conditions for Neutron Capture Therapy (NCT) may soon be in hand due to the anticipated development of band-pass filtered beams relatively free of fast neutron contaminations, and of broadly applicable biomolecules for boron transport such as porphyrins and monoclonal antibodies. Consequently, a number of groups in the US are now devoting their efforts to exploring NCT for clinical application. The purpose of this Workshop was to bring these groups together to exchange views on significant problems of mutual interest, and to assure a unified and effective approach to the solutions. Several areas of preclinical investigation were deemed to be necessary before it would be possible to initiate clinical studies. As neither the monomer nor the dimer of sulfhydryl boron hydride is unequivocally preferable at this time, studies on both compounds should be continued until one is proven superior

  13. Workshop on neutron capture therapy

    Energy Technology Data Exchange (ETDEWEB)

    Fairchild, R.G.; Bond, V.P. (eds.)

    1986-01-01

    Potentially optimal conditions for Neutron Capture Therapy (NCT) may soon be in hand due to the anticipated development of band-pass filtered beams relatively free of fast neutron contaminations, and of broadly applicable biomolecules for boron transport such as porphyrins and monoclonal antibodies. Consequently, a number of groups in the US are now devoting their efforts to exploring NCT for clinical application. The purpose of this Workshop was to bring these groups together to exchange views on significant problems of mutual interest, and to assure a unified and effective approach to the solutions. Several areas of preclinical investigation were deemed to be necessary before it would be possible to initiate clinical studies. As neither the monomer nor the dimer of sulfhydryl boron hydride is unequivocally preferable at this time, studies on both compounds should be continued until one is proven superior.

  14. Historic Methods for Capturing Magnetic Field Images

    Science.gov (United States)

    Kwan, Alistair

    2016-01-01

    I investigated two late 19th-century methods for capturing magnetic field images from iron filings for historical insight into the pedagogy of hands-on physics education methods, and to flesh out teaching and learning practicalities tacit in the historical record. Both methods offer opportunities for close sensory engagement in data-collection…

  15. Historic Methods for Capturing Magnetic Field Images

    Science.gov (United States)

    Kwan, Alistair

    2016-03-01

    I investigated two late 19th-century methods for capturing magnetic field images from iron filings for historical insight into the pedagogy of hands-on physics education methods, and to flesh out teaching and learning practicalities tacit in the historical record. Both methods offer opportunities for close sensory engagement in data-collection processes.

  16. Dissociative recombination of small molecular ions

    International Nuclear Information System (INIS)

    In this thesis an analysis is given of merged electron-ion beam experiment and work on dissociative recombination of molecular ions and electrons is described. Chapter II covers a brief introduction of the theory of dissociative recombination. In chapter III, a description is given of the merged electron-ion beam experiment and a method is described which allows the determination of the mean angle between the electron and ion trajectories in a merged electron-ion beam experiment. In chapter IV a paper on the three dominant atmospheric diatomic ions NO+, O2+ and N2+ is presented and in chapter V the dissociative recombination for N2H+ and N2D+ is discussed. In chapter VI two papers on the polyatomic ions of the carbon-containing molecular ions are presented, and in chapter VII a letter with some results of the work presented in more detail in the chapters IV, V and VI is presented. The magnitude and the energy dependence of the cross-section measured by the merged beam technique and by other techniques is compared and discussed. (Auth.)

  17. Gas Hydrate Dissociation in the Ocean

    Science.gov (United States)

    Conroy, Devin; Smith, Stefan Llewellyn

    2006-11-01

    Methane gas is known to exist in extremely large quantities below the sea floor in the sediment of the deep and cold oceanic and in permafrost regions. Due to the large hydrostatic pressure and cool temperatures the gas reacts with the surrounding water to form a crystalline substance known as a gas hydrate. The fate of these reserves is very important to climate on earth because methane is a much more efficient greenhouse gas then carbon dioxide. The dissociation process in general can occur by either a decrease in pressure or an increase in temperature. In this study we concentrate on the latter. Once the hydrate dissociates, water and free gas remain above the phase boundary, occupying a larger volume than the original solid, and are be transported through the sediment. We have modeled this physical mechanism using volume averaged equations in a porous medium with a coupled two-phase flow. The movement of the phase boundary, which is proportional to the rate of heat transfer to this interface, is modeled as a Stefan type melting problem. The resultant governing equations are solved numerically, using a front fixing method to fix the phase boundary, to determine the rate of gas flux through the sediment and the dissociation rate.

  18. The infrared multiphoton dissociation of three nitrolkanes

    Science.gov (United States)

    Wodtke, A. M.; Hintsa, E. J.; Lee, Y. T.

    1986-01-01

    Infrared multiphoton dissociation in a molecular beam has been studied in order to elucidate the collision free, 'thermal' chemistry and dynamics of nitromethane, nitroethane and 2-nitropropane. The isomerization of CH3NO2 to CH3ONO was observed by detecting the CH3O and NO products from the dissociation of the very internally hot, isomerized nitromethane. A novel application of RRKM theory was used to estimate the barrier height to isomerization at 55.5 kcal/mol. The barrier height determination method was tested and found to give excellent results by applying it to the determintaion of the barrier height to HONO elimination from nitroethane, a value which is well known from activation energy measurements. The method was then applied to the case of HONO elimination from 2-nitropropane and it appears that there is good to believe that the barrier height is 3-5 kcal/mol lower in 2-nitropropane than in nitroethane. The success of this method for determining barrier heights shows how a microscopic molecular beam experiment, using infrared multiphoton dissociation where the concept of temperature has no place, can be quantitatively related to pyrolysis experiments which are conducted under collisional, thermal conditions and measure phenomenological quantities such as activation energies.

  19. Study of filament performance in heat transfer and hydrogen dissociation in diamond chemical vapor deposition

    Institute of Scientific and Technical Information of China (English)

    2006-01-01

    Hot-filament chemical vapor deposition (HFCVD) is a promising method for commercial production of diamond films.Filament performance in heat transfer and hydrogen decomposition in reactive environment was investigated. Power consumption by the filament in vacuum, helium and 2% CH4/H2 was experimentally determined in temperature range 1300℃-2200℃. Filament heat transfer mechanism in C-H reactive environment was calculated and analyzed. The result shows that due to surface carburization and slight carbon deposition, radiation in stead of hydrogen dissociation, becomes the largest contributor to power consumption. Filament-surface dissociation of H2 was observed at temperatures below 1873K, demonstrating the feasibility of diamond growth at low filament temperatures. The effective activation energies of hydrogen dissociation on several clean refractory filaments were derived from power consumption data in literatures. They are all lower than that of thermal dissociation of hydrogen, revealing the nature of catalytic dissociation of hydrogen on filament surface. Observation of substrate temperature suggested a weakerrole of atomic hydrogen recombination in heating substrates in C-H environment than in pure hydrogen.

  20. Imaging of the dissociation dynamics of polyatomic molecules following low-energy electron resonant attachment

    Science.gov (United States)

    Belkacem, Ali

    2014-05-01

    There is a very large body of experimental work on dissociative electron attachment to molecules but the majority of that work is focused on the measurement of absolute total cross sections or energetic positions of the resonances. There is scarce information on the dynamics of electron attachment and the subsequent dissociation that often involves highly non-Born-Oppenheimer dynamics, funneling through conical intersections or intricate nuclear motion during the dissociation process. Through COLTRIMS detection techniques we investigate the electron attachment in a fixed-in-frame manner that yields direct information on the symmetries of the neutral and negatively charged resonant states. We will present a study that combines experimental data along with theoretical analysis of dissociative electron attachment to carbon dioxide, methanol and uracil. In these studies we demonstrated that an understanding of anion dissociation dynamics beyond simple one-dimensional models is crucial in interpreting the measured angular distributions. This work is supported by the Chemical Sciences Biosciences and Geosciences Division, Basic Energy Sciences, DOE.

  1. Mass fractionation of noble gases in synthetic methane hydrate: Implications for naturally occurring gas hydrate dissociation

    Science.gov (United States)

    Hunt, Andrew G.; Stern, Laura; Pohlman, John W.; Ruppel, Carolyn; Moscati, Richard J.; Landis, Gary P.

    2013-01-01

    As a consequence of contemporary or longer term (since 15 ka) climate warming, gas hydrates in some settings may presently be dissociating and releasing methane and other gases to the ocean-atmosphere system. A key challenge in assessing the impact of dissociating gas hydrates on global atmospheric methane is the lack of a technique able to distinguish between methane recently released from gas hydrates and methane emitted from leaky thermogenic reservoirs, shallow sediments (some newly thawed), coal beds, and other sources. Carbon and deuterium stable isotopic fractionation during methane formation provides a first-order constraint on the processes (microbial or thermogenic) of methane generation. However, because gas hydrate formation and dissociation do not cause significant isotopic fractionation, a stable isotope-based hydrate-source determination is not possible. Here, we investigate patterns of mass-dependent noble gas fractionation within the gas hydrate lattice to fingerprint methane released from gas hydrates. Starting with synthetic gas hydrate formed under laboratory conditions, we document complex noble gas fractionation patterns in the gases liberated during dissociation and explore the effects of aging and storage (e.g., in liquid nitrogen), as well as sampling and preservation procedures. The laboratory results confirm a unique noble gas fractionation pattern for gas hydrates, one that shows promise in evaluating modern natural gas seeps for a signature associated with gas hydrate dissociation.

  2. The dissociation constant of water at extreme conditions

    Science.gov (United States)

    Gonzalez-Vazquez, Otto; Giacomazzi, Luigi; Pinilla, C.; Scandolo, Sandro

    2013-06-01

    Only one out of 107 water molecules is dissociated in liquid water at ambient conditions, but the concentration of dissociated molecules increases with pressure ad temperature, and water eventually reaches a fully dissociated state when pressure exceeds 50-100 GPa and temperature reaches a few thousand Kelvin. The behavior of the dissociation constant of water (pKa) at conditions intermediate between ambient and the fully dissociated state is poorly known. Yet, the water pKa is a parameter of primary importance in the aqueous geochemistry as it controls the solubility of ions in geological fluids. We present results of molecular dynamics calculations of the pKa water at extreme conditions. Free-energy differences between the undissociated and the dissociated state are calculated by thermodynamic integration along the dissociation path. The calculations are based on a recently developed all-atom polarizable force-field for water, parametrized on density-functional theory calculations.

  3. Site selectivity of specific reaction steps important for catalysis:CO dissociation on ruthenium surfaces

    OpenAIRE

    Nielsen, Kenneth; Nielsen, Jane Hvolbæk

    2011-01-01

    This thesis presents the results of two dierent projects, both focused on catalysis. The main part is about the investigation of the structure sensitivity of the CO dissociation reaction with STM on a Ru(0 1 54) single crystal and the second part concerns the STM structure study of the Bi/Pt(111) overlayer system. In the STM study of the structure sensitivity of the CO dissociation reaction on the Ru(0 1 54) sample, it was determined that after cooling the sample from 700K to 400K in 10-8Torr...

  4. Determination of chromatographic and spectrophotometric dissociation constants of some beta lactam antibiotics.

    Science.gov (United States)

    Demiralay, Ebru Çubuk; Koç, Duygu; Daldal, Y Doğan; Cakır, Cansel

    2012-12-01

    In this work, dissociation constants values of seven beta lactam antibiotics in water and acetonitrile-water mixtures using spectrophotometric and reversed phase liquid chromatography methods were determined. The dissociation constant values of these compounds were calculated by NLREG and STAR programs. Aqueous pK(a) values of beta lactam antibiotics were calculated with extrapolation by means of the Yasuda-Shedlovsky and mole fraction equations. Finally, application of the different techniques was compared to the determination of aqueous pK(a) values of investigated compounds.

  5. Selectivity of peptide bond dissociation on excitation of a core electron: Effects of a phenyl group

    Science.gov (United States)

    Tsai, Cheng-Cheng; Chen, Jien-Lian; Hu, Wei-Ping; Lin, Yi-Shiue; Lin, Huei-Ru; Lee, Tsai-Yun; Lee, Yuan T.; Ni, Chi-Kung; Liu, Chen-Lin

    2016-09-01

    The selective dissociation of a peptide bond upon excitation of a core electron in acetanilide and N-benzylacetamide was investigated. The total-ion-yield near-edge X-ray absorption fine structure spectra were recorded and compared with the predictions from time-dependent density functional theory. The branching ratios for the dissociation of a peptide bond are observed as 16-34% which is quite significant. This study explores the core-excitation, the X-ray photodissociation pathways, and the theoretical explanation of the NEXAFS spectra of organic molecules containing both a peptide bond and a phenyl group.

  6. Robust automated knowledge capture.

    Energy Technology Data Exchange (ETDEWEB)

    Stevens-Adams, Susan Marie; Abbott, Robert G.; Forsythe, James Chris; Trumbo, Michael Christopher Stefan; Haass, Michael Joseph; Hendrickson, Stacey M. Langfitt

    2011-10-01

    This report summarizes research conducted through the Sandia National Laboratories Robust Automated Knowledge Capture Laboratory Directed Research and Development project. The objective of this project was to advance scientific understanding of the influence of individual cognitive attributes on decision making. The project has developed a quantitative model known as RumRunner that has proven effective in predicting the propensity of an individual to shift strategies on the basis of task and experience related parameters. Three separate studies are described which have validated the basic RumRunner model. This work provides a basis for better understanding human decision making in high consequent national security applications, and in particular, the individual characteristics that underlie adaptive thinking.

  7. Capturing the Daylight Dividend

    Energy Technology Data Exchange (ETDEWEB)

    Peter Boyce; Claudia Hunter; Owen Howlett

    2006-04-30

    Capturing the Daylight Dividend conducted activities to build market demand for daylight as a means of improving indoor environmental quality, overcoming technological barriers to effective daylighting, and informing and assisting state and regional market transformation and resource acquisition program implementation efforts. The program clarified the benefits of daylight by examining whole building systems energy interactions between windows, lighting, heating, and air conditioning in daylit buildings, and daylighting's effect on the human circadian system and productivity. The project undertook work to advance photosensors, dimming systems, and ballasts, and provided technical training in specifying and operating daylighting controls in buildings. Future daylighting work is recommended in metric development, technology development, testing, training, education, and outreach.

  8. Particle capture device

    Energy Technology Data Exchange (ETDEWEB)

    Jayne, John T.; Worsnop, Douglas R.

    2016-02-23

    In example embodiments, particle collection efficiency in aerosol analyzers and other particle measuring instruments is improved by a particle capture device that employs multiple collisions to decrease momentum of particles until the particles are collected (e.g., vaporized or come to rest). The particle collection device includes an aperture through which a focused particle beam enters. A collection enclosure is coupled to the aperture and has one or more internal surfaces against which particles of the focused beam collide. One or more features are employed in the collection enclosure to promote particles to collide multiple times within the enclosure, and thereby be vaporized or come to rest, rather than escape through the aperture.

  9. In Situ Raman Spectroscopy Study on Dissociation of Methane at High Temperatures and at High Pressures

    Institute of Scientific and Technical Information of China (English)

    CHEN Jin-Yang; JIN Lu-Jiang; DONG Jun-Ping; ZHENG Hai-Fei

    2008-01-01

    We investigate the stability and dissociation of methane,which is the most abundant organic molecule in the universe,using diamond anvil cell(DAC)with in situ Raman spectroscopy up to 903K and 21GPa.At the temperatures of 793 and 723K and the corresponding pressures of 16.15 and 20.30 GPa,methane dissociates to very high,methane remains stability up to the highest temperature of 903 K of the work.The four symmetricC-H bonds of methane split at high temperatures and at high pressures,and there is at least one phase transitionof crystalline symmetry from face centred cubic (fce) to hexagonal dose packed (hcp) before dissociation.

  10. Dissociation dynamics of ethylene molecules on a Ni cluster using ab initio molecular dynamics simulations

    International Nuclear Information System (INIS)

    The atomistic mechanism of dissociative adsorption of ethylene molecules on a Ni cluster is investigated by ab initio molecular-dynamics simulations. The activation free energy to dehydrogenate an ethylene molecule on the Ni cluster and the corresponding reaction rate is estimated. A remarkable finding is that the adsorption energy of ethylene molecules on the Ni cluster is considerably larger than the activation free energy, which explains why the actual reaction rate is faster than the value estimated based on only the activation free energy. It is also found from the dynamic simulations that hydrogen molecules and an ethane molecule are formed from the dissociated hydrogen atoms, whereas some exist as single atoms on the surface or in the interior of the Ni cluster. On the other hand, the dissociation of the C-C bonds of ethylene molecules is not observed. On the basis of these simulation results, the nature of the initial stage of carbon nanotube growth is discussed. (paper)

  11. Methane Hydrate Formation and Dissociation in the Presence of Silica Sand and Bentonite Clay

    Directory of Open Access Journals (Sweden)

    Kumar Saw V.

    2015-11-01

    Full Text Available The formation and dissociation of methane hydrates in a porous media containing silica sand of different sizes and bentonite clay were studied in the presence of synthetic seawater with 3.55 wt% salinity. The phase equilibrium of methane hydrate under different experimental conditions was investigated. The effects of the particle size of silica sand as well as a mixture of bentonite clay and silica sand on methane hydrate formation and its dissociation were studied. The kinetics of hydrate formation was studied under different subcooling conditions to observe its effects on the induction time of hydrate formation. The amount of methane gas encapsulated in hydrate was computed using a real gas equation. The Clausius-Clapeyron equation is used to estimate the enthalpy of hydrate dissociation with measured phase equilibrium data.

  12. Dissociation and Variability of Adult Attachment Dimensions and Early Maladaptive Schemas in Sexual and Violent Offenders

    Science.gov (United States)

    Baker, Elina; Beech, Anthony R.

    2004-01-01

    The aim of this study was to investigate the presence of constructs that may indicate the presence of disorganized attachment style in sexual and violent offenders. Constructs measured were dissociation, variability on self-report measures of attachment style and early maladaptive schemas, and variability in observed behavior. Data on variability…

  13. Trauma-Related Dissociation as a Factor Affecting Musicians' Memory for Music: Some Possible Solutions

    Science.gov (United States)

    Swart, Inette; van Niekerk, Caroline; Hartman, Woltemade

    2010-01-01

    An investigation of the influence of trauma on musicians revealed concentration and memory problems as two of the most common symptoms hampering the performance of affected individuals. In many instances where the causes of these problems were related to trauma sequelae, these could clearly be linked to dissociative symptoms. The following…

  14. Dissociation of Subtraction and Multiplication in the Right Parietal Cortex: Evidence from Intraoperative Cortical Electrostimulation

    Science.gov (United States)

    Yu, Xiaodan; Chen, Chuansheng; Pu, Song; Wu, Chenxing; Li, Yongnian; Jiang, Tao; Zhou, Xinlin

    2011-01-01

    Previous research has consistently shown that the left parietal cortex is critical for numerical processing, but the role of the right parietal lobe has been much less clear. This study used the intraoperative cortical electrical stimulation approach to investigate neural dissociation in the right parietal cortex for subtraction and…

  15. Early Childhood Bilingualism Leads to Advances in Executive Attention: Dissociating Culture and Language

    Science.gov (United States)

    Yang, Sujin; Yang, Hwajin; Lust, Barbara

    2011-01-01

    This study investigated whether early especially efficient utilization of executive functioning in young bilinguals would transcend potential cultural benefits. To dissociate potential cultural effects from bilingualism, four-year-old U.S. Korean-English bilingual children were compared to three monolingual groups--English and Korean monolinguals…

  16. Recovery of ammonium perrhenate from molybdenite concentrate leaching solutions and its thermic dissociation

    International Nuclear Information System (INIS)

    The recovery of ammonium perrhenate from domestic molybdenite concentrate of direct electrochemical leaching molybdate-rhenate solutions and its dissociation process is investigated in order to obtain pure rhenium thirdoxide. By the method of thermogravimetric and differential-thermic analysis mechanism for perrhenate → bioxide passage is discovered

  17. Effects of steps and defects on O2 dissociation on clean and modified Cu(100)

    DEFF Research Database (Denmark)

    Hirsimaki, M.; Chorkendorff, Ib

    2003-01-01

    Dissociative chemisorption of O-2 on Cu(100), S/Cu(100) and Ag/Cu(100) surface alloy has been investigated by Auger electron spectroscopy (AES). A strong reduction in the initial O-2 chemisorption probability (S-0) from 0.05 to 7.4 x 10(-3) is observed already at an Ag coverage of 0.02 ML. Further...

  18. Developments in CO2 dissociation using non-equilibrium microwave plasma activation for solar fuels

    NARCIS (Netherlands)

    Bongers, W. A.; Welzel, S.; van den Bekerom, D. C. M.; Frissen, G. F. W. M.; van Rooij, G. J.; Goede, A. P. H.; Graswinckel, M. F.; Groen, P. W. C.; N. den Harder,; van Heemert, B.; Minea, T.; M. C. M. van de Sanden,; Leins, M.; Kopecki, J.; Schulz, A.; Walker, M.

    2015-01-01

    Vortex stabilized microwave plasma conversion of CO2 is considered as promising route for energy efficient dissociation towards CO production. Energy and conversion efficiencies are investigated in scans of reactor pressure, gas flow rate and specific power. Deterioration of efficiencies from 39% to

  19. MMPI-2 Item Endorsements in Dissociative Identity Disorder vs. Simulators.

    Science.gov (United States)

    Brand, Bethany L; Chasson, Gregory S; Palermo, Cori A; Donato, Frank M; Rhodes, Kyle P; Voorhees, Emily F

    2016-03-01

    Elevated scores on some MMPI-2 (Minnesota Multiphasic Inventory-2) validity scales are common among patients with dissociative identity disorder (DID), which raises questions about the validity of their responses. Such patients show elevated scores on atypical answers (F), F-psychopathology (Fp), atypical answers in the second half of the test (FB), schizophrenia (Sc), and depression (D) scales, with Fp showing the greatest utility in distinguishing them from coached and uncoached DID simulators. In the current study, we investigated the items on the MMPI-2 F, Fp, FB, Sc, and D scales that were most and least commonly endorsed by participants with DID in our 2014 study and compared these responses with those of coached and uncoached DID simulators. The comparisons revealed that patients with DID most frequently endorsed items related to dissociation, trauma, depression, fearfulness, conflict within family, and self-destructiveness. The coached group more successfully imitated item endorsements of the DID group than did the uncoached group. However, both simulating groups, especially the uncoached group, frequently endorsed items that were uncommonly endorsed by the DID group. The uncoached group endorsed items consistent with popular media portrayals of people with DID being violent, delusional, and unlawful. These results suggest that item endorsement patterns can provide useful information to clinicians making determinations about whether an individual is presenting with DID or feigning. PMID:26944745

  20. Ion Momentum Imaging of Dissociative Electron Attachment to Small Molecules

    Science.gov (United States)

    Fogle, Michael

    2015-09-01

    In recent years, low energy dissociative electron attachment (DEA) interactions have been of interest to varying biological and technological applications. To study the dynamics resulting from DEA, we used an ion-momentum imaging apparatus based on the Cold Target Recoil Ion Momentum Spectroscopy (COLTRIMS) technique in which a molecular beam is crossed by a pulsed electron beam. The beam interaction takes place in a 4 π pulsed electrostatic spectrometer that collects the anion fragments resulting from DEA. The molecular beam is formed by a supersonic expansion which results in a well-localized and cold target. Using this apparatus we have investigated the DEA dynamics for several small molecules: CO2 at the 4 eV shape resonance and the 8 eV Feshbach resonance; N2O at the 2.3 eV shape resonance; HCCH at the 3 eV shape resonance; and CF4 near the 7 eV resonance. An overview of these experimental ion-momentum results will be compared to ab initio electronic structure and fixed-nuclei scattering calculations to gauge the resulting dynamics driven by DEA. In many cases, conical intersections play a pivotal role in driving the dynamics. Some of these systems exhibit non-axial recoil conditions indicative of a bending dynamics in the transitory negative ion state while others exhibit a direct axial recoil dissociation without any bending. This work is supported by the National Science Foundation under Contract NSF-PHYS1404366.

  1. Dissociative symptoms and dissociative disorders comorbidity in obsessive compulsive disorder: Symptom screening, diagnostic tools and reflections on treatment.

    Science.gov (United States)

    Belli, Hasan

    2014-08-16

    Borderline personality disorder, conversion disorder and obsessive compulsive disorder frequently have dissociative symptoms. The literature has demonstrated that the level of dissociation might be correlated with the severity of obsessive compulsive disorder (OCD) and that those not responding to treatment had high dissociative symptoms. The structured clinical interview for DSM-IV dissociative disorders, dissociation questionnaire, somatoform dissociation questionnaire and dissociative experiences scale can be used for screening dissociative symptoms and detecting dissociative disorders in patients with OCD. However, a history of neglect and abuse during childhood is linked to a risk factor in the pathogenesis of dissociative psychopathology in adults. The childhood trauma questionnaire-53 and childhood trauma questionnaire-40 can be used for this purpose. Clinicians should not fail to notice the hidden dissociative symptoms and childhood traumatic experiences in OCD cases with severe symptoms that are resistant to treatment. Symptom screening and diagnostic tools used for this purpose should be known. Knowing how to treat these pathologies in patients who are diagnosed with OCD can be crucial. PMID:25133142

  2. Basin scale assessment of gas hydrate dissociation in response to climate change

    Energy Technology Data Exchange (ETDEWEB)

    Reagan, M.; Moridis, G.; Elliott, S.; Maltrud, M.; Cameron-Smith, P.

    2011-07-01

    Paleooceanographic evidence has been used to postulate that methane from oceanic hydrates may have had a significant role in regulating climate. However, the behavior of contemporary oceanic methane hydrate deposits subjected to rapid temperature changes, like those now occurring in the arctic and those predicted under future climate change scenarios, has only recently been investigated. Field investigations have discovered substantial methane gas plumes exiting the seafloor along the Arctic Ocean margin, and the plumes appear at depths corresponding to the upper limit of a receding gas hydrate stability zone. It has been suggested that these plumes may be the first visible signs of the dissociation of shallow hydrate deposits due to ongoing climate change in the arctic. We simulate the release of methane from oceanic deposits, including the effects of fully-coupled heat transfer, fluid flow, hydrate dissociation, and other thermodynamic processes, for systems representative of segments of the Arctic Ocean margins. The modeling encompasses a range of shallow hydrate deposits from the landward limit of the hydrate stability zone down to water depths beyond the expected range of century-scale temperature changes. We impose temperature changes corresponding to predicted rates of climate change-related ocean warming and examine the possibility of hydrate dissociation and the release of methane. The assessment is performed at local-, regional-, and basin-scales. The simulation results are consistent with the hypothesis that dissociating shallow hydrates alone can result in significant methane fluxes at the seafloor. However, the methane release is likely to be confined to a narrow region of high dissociation susceptibility, defined by depth and temperature, and that any release will be continuous and controlled, rather than explosive. This modeling also establishes the first realistic bounds for methane release along the arctic continental shelf for potential hydrate

  3. Oxygen adsorption and dissociation during the oxidation of monolayer Ti2C

    KAUST Repository

    Gan, Li-Yong

    2013-08-20

    Exfoliated two-dimensional early transition metal carbides and carbonitrides are usually not terminated by metal atoms but saturated by O, OH, and/or F, thus making it difficult to understand the surface structure evolution and the induced electronic modifications. To fill this gap, density functional theory and molecular dynamics simulations are performed to capture the initial stage of the oxidation process of Ti2C, a prototypical example from the recently fabricated class of two-dimensional carbides and carbonitrides. It is shown that the unsaturated Ti 3d orbitals of the pristine Ti2C surface interact strongly with the approaching O2 molecules, resulting in barrierless O2 dissociation. The diffusion of the dissociated O atoms is also found to be very facile. Molecular dynamics simulations suggest that both dissociation and diffusion are enhanced as the O2 coverage increases to 0.25 monolayer. For a coverage of less than 0.11 monolayer, the adsorbates lead to a minor modification of the electronic properties of Ti2C, while the modification is remarkable at 0.25 monolayer. The formed Ti2CO2 after O saturation is an indirect narrow gap semiconductor (0.33 eV) with high intrinsic carrier concentration at room temperature and high thermodynamic stability at intermediate temperature (e.g., 550 °C).

  4. Lunar Sulfur Capture System

    Science.gov (United States)

    Berggren, Mark; Zubrin, Robert; Bostwick-White, Emily

    2013-01-01

    The Lunar Sulfur Capture System (LSCS) protects in situ resource utilization (ISRU) hardware from corrosion, and reduces contaminant levels in water condensed for electrolysis. The LSCS uses a lunar soil sorbent to trap over 98 percent of sulfur gases and about two-thirds of halide gases evolved during hydrogen reduction of lunar soils. LSCS soil sorbent is based on lunar minerals containing iron and calcium compounds that trap sulfur and halide gas contaminants in a fixed-bed reactor held at temperatures between 250 and 400 C, allowing moisture produced during reduction to pass through in vapor phase. Small amounts of Earth-based polishing sorbents consisting of zinc oxide and sodium aluminate are used to reduce contaminant concentrations to one ppm or less. The preferred LSCS configuration employs lunar soil beneficiation to boost concentrations of reactive sorbent minerals. Lunar soils contain sulfur in concentrations of about 0.1 percent, and halogen compounds including chlorine and fluorine in concentrations of about 0.01 percent. These contaminants are released as gases such as H2S, COS, CS2,HCl, and HF during thermal ISRU processing with hydrogen or other reducing gases. Removal of contaminant gases is required during ISRU processing to prevent hardware corrosion, electrolyzer damage, and catalyst poisoning. The use of Earth-supplied, single-use consumables to entirely remove contaminants at the levels existing in lunar soils would make many ISRU processes unattractive due to the large mass of consumables relative to the mass of oxygen produced. The LSCS concept of using a primary sorbent prepared from lunar soil was identified as a method by which the majority of contaminants could be removed from process gas streams, thereby substantially reducing the required mass of Earth-supplied consumables. The LSCS takes advantage of minerals containing iron and calcium compounds that are present in lunar soil to trap sulfur and halide gases in a fixedbed reactor

  5. Data on ionization, excitation, dissociation and dissociative ionization of targets by helium ion bombardments, (1)

    International Nuclear Information System (INIS)

    This report presents a compilation of the experimental data on cross sections for the ionization, excitation, dissociation and dissociative ionization processes of targets in helium ion impacts on atoms and molecules under a single collision condition. These measurements were carried out in the energy range from several keV to 3.5 MeV. A systematic survey has been made on the literatures from 1975 to the end of 1982. A list of references is also given, including relevant papers published before 1975. (author)

  6. 胺法脱碳系统动态特性及控制策略研究%Investigation of the Dynamic Behavior and Control Strategies for a CO2 Capture System Using Amine Solution

    Institute of Scientific and Technical Information of China (English)

    李小飞; 王淑娟; 陈昌和

    2014-01-01

    The amine-based CO2 capture system is an inherently dynamic system that is affected by the load variations in the up-stream power plant due to fluctuations in electricity demand. However, most of researches in this field are based on the steady state operation model, little dynamic data and analysis of the dynamic behavior of a CO2 capture system are available in open literatures. A dynamic model of amine-based CO2 capture system was developed with Aspen Dynamics software based on a typical coal fired power plant. Dynamic responses of the amine-based CO2 capture system with basic control structure were studied when step change in reboiler heat duty, flue gas flowrate and CO2 composition. The results show that the CO2 removal efficiency is influenced by the flue gas disturbances. The CO2 removal target is guaranteed by two proportional control strategies, and operating parameters can be adjusted according to the changes of the flowrate and CO2 composition in flue gas. Dynamic simulations show that the CO2 capture system can achieve removal targets with the proposed control strategies.%由于电力需求的波动,受上游碳捕集电厂负荷变化的影响,胺法脱碳系统本质上是一个动态系统。但绝大多数关于胺法脱碳系统的研究是基于稳态运行方式展开的,对碳捕集系统动态研究还处于起步阶段。文中基于一个典型的燃煤电厂胺法脱碳装置,应用Aspen Dynamics软件建立胺法脱碳系统动态模型。研究了带基本控制结构胺法脱碳系统在再沸器热功率、烟气流量及烟气组分阶跃变化时,吸收和再生过程的动态响应特性。结果表明,在阶跃扰动下,CO2脱除率发生阶跃变化。为了实现固定的 CO2脱除率,提出2种比例控制策略,根据烟气处理量及组分浓度变化,分别通过调节贫液流量及贫液CO2担载量来保持固定的CO2脱除率。动态分析表明,在烟气流量及组分阶跃变化时,2

  7. Theoretical study of adsorption and dissociation of NH3 on the Ir{110}(1×2) surface

    Institute of Scientific and Technical Information of China (English)

    HUANG WuYing; XIE DaiQian

    2008-01-01

    The adsorption and dissociation of NH3 on Ir{110}(1×2) have been investigated using the density- func-tional calculations at a coverage of 0.25 ML. The adsorption sites, energy, and geometries were ob-tained for NH3, NH2, and H adsorptions on the surface. The transition state for NH3 dissociation on Ir{110}(1×2) was also identified. It was found that NH3 is adsorbed preferentially at the ridge atop site, while NH2 and H are adsorbed at the ridge bridge site. The activation barrier of NH3 dissociation is 78.4 kJ/mol, which is very close to the NH3 adsorption energy of 90.0 kJ/mol. This indicates that the de-sorption and dissociation of NH3 on Ir{110}(1×2) are very competitive, which is consistent with the re-cent experimental results.

  8. “Initial Potential” Effect on the Dissociative Adsorption of Methanol on A Roughened Platinum Electrode in Acidic Solution

    Institute of Scientific and Technical Information of China (English)

    2001-01-01

    In situ Raman spectroscopic and voltammetric studies indicate that dissociative adsorption of methanol on the rough platinum electrode occurs in the hydrogen ad/desorption potential range, and the dissociative extent depends on the initial potential of the electrode before contacting methanol, in addition to the contacting time. As the dissociative product, carbon monoxide competes the site of strongly bound hydrogen preferentially, and shifts the ad/desorption potentials of weakly bound hydrogen towards more positive ones gradually with the increase of CO coverage. Whereas, formaldehyde dissociates more easily by far and completely suppresses H-adsorption. The confocal Raman spectroscopy developed on transition metals shows some intriguing advantages in investigating electrocatalytic oxidation of small organic molecules.

  9. The Generic Data Capture Facility

    Science.gov (United States)

    Connell, Edward B.; Barnes, William P.; Stallings, William H.

    The Generic Data Capture Facility, which can provide data capture support for a variety of different types of spacecraft while enabling operations costs to be carefully controlled, is discussed. The data capture functions, data protection, isolation of users from data acquisition problems, data reconstruction, and quality and accounting are addressed. The TDM and packet data formats utilized by the system are described, and the development of generic facilities is considered.

  10. Inland capture fisheries.

    Science.gov (United States)

    Welcomme, Robin L; Cowx, Ian G; Coates, David; Béné, Christophe; Funge-Smith, Simon; Halls, Ashley; Lorenzen, Kai

    2010-09-27

    The reported annual yield from inland capture fisheries in 2008 was over 10 million tonnes, although real catches are probably considerably higher than this. Inland fisheries are extremely complex, and in many cases poorly understood. The numerous water bodies and small rivers are inhabited by a wide range of species and several types of fisher community with diversified livelihood strategies for whom inland fisheries are extremely important. Many drivers affect the fisheries, including internal fisheries management practices. There are also many drivers from outside the fishery that influence the state and functioning of the environment as well as the social and economic framework within which the fishery is pursued. The drivers affecting the various types of inland water, rivers, lakes, reservoirs and wetlands may differ, particularly with regard to ecosystem function. Many of these depend on land-use practices and demand for water which conflict with the sustainability of the fishery. Climate change is also exacerbating many of these factors. The future of inland fisheries varies between continents. In Asia and Africa the resources are very intensely exploited and there is probably little room for expansion; it is here that resources are most at risk. Inland fisheries are less heavily exploited in South and Central America, and in the North and South temperate zones inland fisheries are mostly oriented to recreation rather than food production.

  11. Neutron capture therapy

    International Nuclear Information System (INIS)

    The overall state of the art related with neutron capture therapy(NCT) is surveyed. Since the field related with NCT is very wide, it is not intended to survey all related subjects in depth. The primary objective of this report is to help those working for the installation of a NCT facility and a PGNAA(prompt gamma ray neutron activation analysis) system for the boron analysis understand overall NCT at Hanaro. Therefore, while the parts of reactor neutron source and PGNAA are dealt in detail, other parts are limited to the level necessary to understand related fields. For example, the subject of chemical compound which requires intensive knowledge on chemistry, is not dealt as a separated item. However, the requirement of a compound for NCT, currently available compounds, their characteristics, etc. could be understood through this report. Although the subject of cancer treated by NCT is out of the capability of the author, it is dealt focussing its characteristics related with the success of NCT. Each detailed subject is expected to be dealt more detail by specialists in future. This report would be helpful for the researchers working for the NCT to understand related fields. (author). 128 refs., 3 tabs., 12 figs

  12. Resource capture by single leaves

    Energy Technology Data Exchange (ETDEWEB)

    Long, S.P.

    1992-05-01

    Leaves show a variety of strategies for maximizing CO{sub 2} and light capture. These are more meaningfully explained if they are considered in the context of maximizing capture relative to the utilization of water, nutrients and carbohydrates reserves. There is considerable variation between crops in their efficiency of CO{sub 2} and light capture at the leaf level. Understanding of these mechanisms indicate some ways in which efficiency of resource capture could be level cannot be meaningfully considered without simultaneous understanding of implications at the canopy level. 36 refs., 5 figs., 1 tab.

  13. Revisiting the issue of elite capture in participatory initiatives

    DEFF Research Database (Denmark)

    Lund, Jens Friis; Saito-Jensen, Moeko

    2013-01-01

    of resistance orchestrated by initially disadvantaged groups. Based on the cases we argue that studies of elite capture should be based on in-depth and longitudinal empirical investigations that carefully characterize forms and outcomes of elite capture and consider both the changing dynamics of social settings......Based on case studies of two communities implementing participatory forestry in Tanzania and India, we revisit the issue of elite capture of participatory initiatives. Our cases illustrate how initial elite capture of the participatory initiatives is circumvented over time through various forms...

  14. Capturing Common Loons during prenesting and nesting periods

    Science.gov (United States)

    Kenow, K.P.; Wilson, J.M.; Meyer, M.W.

    2009-01-01

    Several techniques have been used to capture Common Loons (Gavia immer), but effectiveness is limited during periods of the breeding season when loons do not have chicks. From 2005 to 2008, we studied loons in northern Wisconsin and used night lighting to capture loons on nests and also designed a lift net for capturing loons prior to nesting. At night, incubating loons were approached by boat and, when within about 30-60 m, we focused a spotlight on the loon and, once at the nest, captured loons using a landing net. Using this technique, we captured 23 loons in 29 attempts (79%). In addition, taped calls and loon decoys were used to entice prenesting, territorial loons into a shoreline-based, lift-net trap at a capture efficiency of 67% (10 captures in 15 attempts) during the second year of use. Our diurnal lift-net trap and night-light nest-capture techniques allowed us to capture adult Common Loons during periods of the breeding season when previous investigators have found loons difficult to catch. These techniques may also be useful for capturing other species of territorial waterbirds, especially other species of loons. ?? 2009 Association of Field Ornithologists. No claim to original U.S. government works.

  15. Occipitocervical dissociation-incidence, evaluation, and treatment.

    Science.gov (United States)

    Kasliwal, Manish K; Fontes, Ricardo B; Traynelis, Vincent C

    2016-09-01

    Traumatic occipitocervical dissociation (OCD) results from ligamentous injury to the craniocervical junction and is associated with a high rate of mortality and significant neurologic morbidity. The diagnosis is frequently missed on initial lateral cervical spinal radiographs mainly due to inadequate visualization of radiological landmarks and low degree of suspicion. Widespread availability of multidetector computed tomography (MDCT) of the spine and development of better diagnostic radiological criteria has allowed timely diagnosis and good clinical outcome following posterior occipitocervical fusion and instrumentation for a pathology that was once considered uniformly fatal. The present paper reviews the clinical features, diagnosis, and management of OCD in light of most recent literature. PMID:27255101

  16. Charge-dependent dissociation of insulin cations via ion/ion electron transfer

    Science.gov (United States)

    Liu, Jian; Gunawardena, Harsha P.; Huang, Teng-Yi; McLuckey, Scott A.

    2008-10-01

    The dissociation reactions of various charge states of insulin cations obtained directly from nano-electrospray were investigated as a result of ion/ion electron transfer from azobenzene anions. Data were collected with and without simultaneous ion trap collisional excitation of the first generation charge-reduced product during the ion/ion reaction period. Neither separation of the two constituent chains nor cleavages within the loop defined by the disulfide bridges were observed under normal electron transfer dissociation (ETD) conditions for any of the charge states studied. However, substantial sequence coverage (exocyclic region: 82.6%; entire protein: 38.8%) outside the ring structure was obtained for insulin +6, while only limited coverage (exocyclic: 43.5%; entire protein: 20.4%) was observed for insulin +5 and no dissociation, aside from low abundance side-chain losses, was noted for insulin +4 and +3 in the normal ETD spectra. When the first generation charge-reduced precursor ions were subjected to collisional activation during the ion/ion reaction period, higher sequence coverages were obtained for both insulin +5 (entire protein: 34.7%) and +4 (entire protein: 20.4%) with backbone cleavages occurring within the loop defined by the disulfide bonds. Dissociation of insulin +3 was not significantly improved by the additional activation. Separation of the two constituent chains resulting from cleavages of both of the two disulfide bridges that link the chains was observed for insulin +6, +5, and +4 when the charge-reduced species were activated. The dissociation of disulfide linkages in this study suggests that as the charge state decreases, disulfide bond cleavages dominate over N-C[alpha] bond cleavages in the electron transfer dissociation process.

  17. Strain-Induced Water Dissociation on Supported Ultrathin Oxide Films

    CERN Document Server

    Song, Zhenjun; Xu, Hu

    2015-01-01

    Controlling the dissociation of single water molecule on an insulating surface plays a crucial role in many catalytic reactions. In this Letter, we have identified the enhanced chemical reactivity of ultrathin MgO(100) films deposited on Mo(100) substrate that causes water dissociation. We reveal that the ability to split water on insulating surface closely depends on the lattice mismatch between ultrathin films and the underlying substrate, and substrate-induced in-plane tensile strain dramatically results in water dissociation on MgO(100). Three dissociative adsorption configurations of water with lower energy are predicted, and the structural transition going from molecular form to dissociative form is almost barrierless. Our results provide an effective avenue to achieve water dissociation at the single-molecule level and shed light on how to tune the chemical reactions of insulating surfaces by choosing the suitable substrates.

  18. Dissociative Adsorption of Molecules on Graphene and Silicene

    CERN Document Server

    Gurel, H Hakan; Ciraci, S

    2014-01-01

    We study the interaction of H$_2$, O$_2$, CO, H$_2$O and OH molecules with the vacancy defects of graphene and silicene. Atoms around the bare vacancy reconstruct and specific chemically active sites are created. While H$_2$, O$_2$ and CO remain intact on both pristine graphene and silicene, these molecules can dissociate when they are placed at the close proximity of these chemically active sites and nucleate centers for the hydrogenation and oxygenation. Saturation of the dangling bonds at the defect sites by constituent atoms of dissociated molecules gives rise to significant modification of electronic and magnetic properties. We analyzed the mechanism of the dissociation and revealed a concerted action of surrounding host atoms together with dissociated molecules to lower the energy barrier needed for dissociation. The dissociations of H$_2$O and OH are hindered by high energy barriers. Our study suggests that graphene and silicene can be functionalized by creating meshes of single vacancy, where specific...

  19. Being in rhythm: dissociative attunement in therapeutic process.

    Science.gov (United States)

    Hopenwasser, Karen

    2008-01-01

    Dissociative attunement is a profound rhythmic encounter in therapeutic treatment. Attunement is a synchronized awareness of implicit knowing that is nonlinear and bidirectional. Empathically attuned clinicians are like microtonal tuning forks. They resonate with a variety of emotional pitches and will resonate with nuanced shifting of emotional tone. This resonance is the basis of dissociative attunement. Concepts such as empathic attunement, affect attunement, "the unthought known," "implicit relational knowing," and "a two-person unconscious" help us to understand unique aspects of projective identification, transference, and countertransference within the dissociative frame. However, "dissociative" attunements are systemically self-emergent moments in which multiple self-states are shared by means other than projection. Using clinical vignettes, I demonstrate how dissociative attunement can paradoxically appear to be misattunement. By synthesizing scientific and theoretical concepts applied to these clinical moments, we can understand dissociative attunement as a therapeutic tool as well as a pathway to vicarious traumatization. PMID:19042783

  20. Dissociation in individuals denying trauma exposure: findings from two samples.

    Science.gov (United States)

    Briere, John; Runtz, Marsha

    2015-06-01

    A number of studies suggest that dissociation is reliably related to trauma exposure, and that inadequate regulation of posttraumatic distress may be a significant factor. We examined whether affect dysregulation predicts dissociation in those denying any lifetime exposure to trauma. These relationships were evaluated in a general population sample and a second sample of nontraumatized university students. In the first study, multivariate analyses indicated that, along with gender, affect dysregulation was a relatively strong predictor, accounting for 27% of the variance in dissociation. In the replication study, dissociation was associated with affect dysregulation, but not gender. Affect dysregulation seems to predict dissociative symptomatology in nontraumatized individuals. It is hypothesized that emotional distress, whether from trauma or other etiologies, motivates dissociation to the extent that it challenges the individual's compromised capacity for affect regulation. Treatment implications may include the potential helpfulness of interventions that increase emotion regulation skills. PMID:25974057

  1. Focusing on dissociated motor development in Brazilian children

    Directory of Open Access Journals (Sweden)

    Minami Maria Avanise Yumi

    2001-01-01

    Full Text Available Dissociated motor development (DMD is considered when the baby starts independent walking late, with normality of the other fields of development. There is evidence that babies with DMD present an atypical crawling pattern and hypotonia. To investigate the frequency and characteristics of DMD, neurological examination was performed monthly in 177 healthy full-term babies from 6 months age, in urban and rural zone samples in Brazil. Among 20 children with atypical crawling, none presented hypotonia neither did they start independent walking late. The means of the ages at the begining of atypical crawling and independent walking acquisitions, 7.40mo (SD 1.4 and 12.76mo (SD 2.5 respectively, did not differ from the group with crossed crawling pattern. Thus, in this sample of Brazilian healthy children we did not find cases with DMD.

  2. Dissociative recombination in reactive flows related to planetary atmospheric entries

    Directory of Open Access Journals (Sweden)

    Bultel Arnaud

    2015-01-01

    Full Text Available The Dissociative Recombination (DR processes play a significant role in plasma chemistry. This article illustrates this role from the modeling point of view in the case of reactive flows related to atmospheric entry plasmas. Two situations are investigated, for which the studied plasma is nitrogen. The first configuration corresponds to the relaxation process behind a strong shock wave moving at high Mach number in a shock tube, the second one to the recombination taking place in an expanding plasma flowing in a diverging nozzle. In both cases, the collisional-radiative model CoRaM-N2, involving N2, N, N2+, N+ and electrons, is implemented in an Eulerian 1D code able to compute the aerodynamic fields; calculations are performed in standard conditions. We show that, according to the rate coefficients used for the DR processes, the population density of the charged species especially N2+ is strongly modified only for the post-shock flow.

  3. Dissociation of Procedural and Working Memory in Pigeons (Columba livia

    Directory of Open Access Journals (Sweden)

    Walter T. Herbranson

    2016-07-01

    Full Text Available A new method was developed to concurrently investigate procedural memory and working memory in pigeons. Pigeons performed a sequence of keypecks across 3 response keys in a serial response task, with periodic choice probes for the location of a recently produced response. Procedural memory was operationally defined as decreasing response times to predictable cues in the sequence. Working memory was reflected by accurate responses to the choice probes. Changing the sequence of required keypecks to a random sequence interfered with procedural memory in the form of slowed response times, but did not prevent pigeons from effectively using working memory to remember specific cue locations. Conversely, changing exposure duration of to a cue location influenced working memory but had no effect on procedural memory. Double dissociations such as this have supported the multiple systems approach to the study of memory in cognitive psychology and neuroscience, and they encourage a similar approach in comparative psychology.

  4. Alkali promotion of N-2 dissociation over Ru(0001)

    DEFF Research Database (Denmark)

    Mortensen, Jens Jørgen; Hammer, Bjørk; Nørskov, Jens Kehlet

    1998-01-01

    Using self-consistent density functional calculations, we show that adsorbed Na and Cs lower the barrier for dissociation of N2 on Ru(0001). Since N2 dissociation is a crucial step in the ammonia synthesis reaction, we explain in this way the experimental observation that alkali metals promote th...... the ammonia synthesis reaction over Ru catalysts. We also show that the origin of this effect is predominantly a direct electrostatic attraction between the adsorbed alkali atoms and the dissociating molecule....

  5. Dissociation, culture and morphologic changes of interstitial cells of Cajal in vitro

    Institute of Scientific and Technical Information of China (English)

    Chun-Xue Li; Bao-Hua Liu; Wei-Dong Tong; Lian-Yang Zhang; Yan-Ping Jiang

    2005-01-01

    AIM: To study the method of dissociation, culture and investigate its morphologic changes in vitro of interstitial cells of Cajal (ICC).METHODS: Enzymatic digestion and Ficoll density centrifugation were used to dissociate ICC from the ileal segment of mice. Factors including contamination, Ca2+, Mg2+ and collagenase, and stem cell factor, etc., were investigated.ACK2, the antibody of c-kit, was used to identify the cultured ICC. Both light microscope and fluorescence microscope were used to observe the changes of ICC in vitro.RESULTS: The method for dissociation and culture of ICC in vitro was successfully established. After 24 h, cultured ICC exhibited a few axis-cylinders, and longer axis-cylinders were observed to form synapse of each other after 3 d. More widespread connections formed within 7 d in vitro. The changes of its morphologic character were obvious within 7 d; however, there were no obvious morphologic changes after 30 d.CONCLUSION: Many factors can influence the dissociation and culture of ICC.

  6. On neutrinoless double electron capture

    CERN Document Server

    Drukarev, E G

    2016-01-01

    We found the probability for the neutrinoless double electron capture in the case of $KK$ capture. We clarified the mechanism of the energy transfer from the nucleus to the bound electrons. This enabled us to obtain the equations for the probability of the $2EC0\

  7. Multigenerational Dissociation: A Framework for Building Narrative.

    Science.gov (United States)

    McCollum, Sally E

    2015-01-01

    This paper presents the concept of Multigenerational Dissociation (MGD), a behavior pattern that occurs in families in which violence and abuse are re-enacted from one generation to the next, accompanied by denial that the trauma occurred, or if it did, that it was destructive. While revictimization, reenactment, and the intergenerational transmission of trauma are discussed extensively in the literature, MGD helps to view them within a broad historical framework. This is useful for conceptualizing cases therapeutically, and it can also contribute to research on dissociation and recovered memories of trauma and abuse by demonstrating the value of narrative clinical data. Case material is used to illustrate how MGD occurs in people's lives and affects their memories, demonstrating how it becomes a frame within which to convey the dynamics of how traumatic experiences are remembered. This also demonstrates that when clinicians contribute their own narrative data to research on traumatic memory, the science is more accurate, relevant, and comprehensible to clinical and nonclinical researchers. PMID:26158318

  8. Communication: Imaging wavefunctions in dissociative photoionization

    Science.gov (United States)

    Scott Hopkins, W.; Mackenzie, Stuart R.

    2011-08-01

    The dissociative ionization dynamics of excited electronic states of the xenon dimer, Xe2, have been studied using velocity map ion imaging (VMI). A one-colour, (2+1) resonant excitation scheme was employed to first excite and then ionize selected vibrational levels of the Xe2 6p 2[1/2]0 0_g^ + Rydberg state. Cationic fragments were then detected by the VMI. The data provide an outstanding example of the reflection principle in photodissociation with the full nodal structure of the Rydberg state wavefunctions clearly observed in the final Xe+ kinetic energy distributions without the need for scanning the excitation energy. Fitting of the observed distributions provides detailed and precise information on the form of the Xe2+ I(1/2g) potential energy curve involved which is in excellent agreement with the results of photoelectron imaging studies [Shubert and Pratt, J. Chem. Phys. 134, 044315 (2011), 10.1063/1.3533361]. Furthermore, the anisotropy of the product angular distributions yields information on the evolution of the electronic character of the ionic state with internuclear separation, R. The combination of the nature of dissociative ionization and the extent of the bound state wavefunctions provide information over an unusually wide range of internuclear separation R (ΔR > 0.75 Å). This would normally require scanning over a considerable energy region but is obtained in these studies at a fixed excitation energy.

  9. Dissociation of silica at high pressure

    Science.gov (United States)

    Hicks, Damien; Boehly, Tom

    2005-07-01

    Measurements of the temperature and optical reflectivity of quartz and fused silica under shock loading from 100 to 1000 GPa have revealed evidence for dissociation of silica between ˜150 and 400 GPa. Using attenuating laser-driven shock waves a continuous record of the temperature and reflectivity dependence on pressure has been obtained in both materials allowing the specific heat capacity and electronic conductivity to be deduced. Results show that between 150 and 400 GPa the specific heat rises significantly above that expected from the Dulong-Petit law, indicating the presence of a latent energy. Coincident with this anomalous specific heat is a rapid rise in electronic conductivity. Both these observables suggest that dissociation is occurring in the dense fluid. In addition temperature measurements near 5000 K detect a discontinuity at the melt transition, as measured earlier on gas gun experiments. This work was performed under the auspices of the US DOE by LLNL under Contract No. W-7405-ENG-48 and by the University of Rochester under Cooperative Agreement No. DE-FC03-92SF19460.

  10. Dissociative and non-dissociative photoionization of molecular fluorine from inner and valence shells

    Energy Technology Data Exchange (ETDEWEB)

    Ayuso, D.; Palacios, A. [Departamento de Química, Módulo 13, Universidad Autónoma de Madrid, Cantoblanco, 28049 Madrid (Spain); Decleva, P. [Dipartimento di Scienze Chimiche e Farmaceutiche, Università di Trieste, 34127 Trieste (Italy); CNR-IOM, Trieste (Italy); Martín, F., E-mail: fernando.martin@uam.es [Departamento de Química, Módulo 13, Universidad Autónoma de Madrid, Cantoblanco, 28049 Madrid (Spain); Instituto Madrileño de Estudios Avanzados en Nanociencia, Cantoblanco, 28049 Madrid (Spain)

    2014-08-15

    Highlights: • We theoretically analyze the angle-integrated photoionization cross sections of the fluorine molecule, which have been computed up to hundreds of eV using a DFT-like methodology that takes into account the nuclear degrees of freedom. • We have considered electron ejection from all the molecular orbitals and found that the corresponding cross sections show an oscillatory behavior as a function of the photoelectron momentum, which is the result of the double-slit type interferences. • We further compute dissociative and non-dissociative ionization channels. • Dissociative ionization is negligible in other diatomic molecules such N{sub 2} or CO, whereas is visible for F{sub 2} when the electron is ejected from the 1u or the 3σ{sub g} molecular orbitals. - Abstract: We present a theoretical study of F{sub 2} photoionization in the range 0–40 a.u. of photoelectron energy, where the undulatory behavior of the corresponding angle-integrated cross sections due to electron emission from equivalent centers is apparent. These double-slit type interferences are observed in both inner- and valence-shell ionization. We analyze confinement effects that appear at given energies when the electron is ejected parallel to the molecular axis. Since we account for the nuclear degrees of freedom, we evaluate and discuss the vibrationally resolved cross sections, including both dissociative and non-dissociative ionization channels. We also analyze the ratios between the latter cross sections and the relationship between the observed oscillations and the structure of the molecule.

  11. Accurate studies on dissociation energies of diatomic molecules

    Institute of Scientific and Technical Information of China (English)

    SUN; WeiGuo; FAN; QunChao

    2007-01-01

    The molecular dissociation energies of some electronic states of hydride and N2 molecules were studied using a parameter-free analytical formula suggested in this study and the algebraic method (AM) proposed recently. The results show that the accurate AM dissociation energies DeAM agree excellently with experimental dissociation energies Deexpt, and that the dissociation energy of an electronic state such as the 23△g state of 7Li2 whose experimental value is not available can be predicted using the new formula.

  12. The vibrational dynamics of 3D HOCl above dissociation

    Energy Technology Data Exchange (ETDEWEB)

    Lin, Yi-Der; Reichl, L. E. [Center for Complex Quantum Systems and Department of Physics, The University of Texas at Austin, Austin, Texas 78712 (United States); Jung, Christof [Instituto de Ciencias Fisicas, Universidad Nacional Autonoma de Mexico, Av. Universidad 1001, 62251 Cuernavaca (Mexico)

    2015-03-28

    We explore the classical vibrational dynamics of the HOCl molecule for energies above the dissociation energy of the molecule. Above dissociation, we find that the classical dynamics is dominated by an invariant manifold which appears to stabilize two periodic orbits at energies significantly above the dissociation energy. These stable periodic orbits can hold a large number of quantum states and likely can support a significant quasibound state of the molecule, well above the dissociation energy. The classical dynamics and the lifetime of quantum states on the invariant manifold are determined.

  13. Neutron capture reactions at DANCE

    International Nuclear Information System (INIS)

    The Detector for Advanced Neutron Capture Experiments (DANCE) is a 4π BaF2 array consisting of 160 active detector elements. The primary purpose of the array is to perform neutron capture cross section measurements on small (> or approx.100 μg) and/or radioactive (241,243Am, neutron capture and neutron-induced fission cross sections and capture-to-fission ratio (α = σγ/σf) for 235U using a new fission-tagging detector as well as neutron capture cross sections for several astrophysics branch-point nuclei. Results from several of these measurements will be presented along with a discussion of additional physics information that can be extracted from the DANCE data

  14. Dissociation energy and dynamics of water clusters

    Science.gov (United States)

    Ch'ng, Lee Chiat

    The state-to-state vibrational predissociation (VP) dynamics of water clusters were studied following excitation of a vibrational mode of each cluster. Velocity-map imaging (VMI) and resonance-enhanced multiphoton ionization (REMPI) were used to determine pair-correlated center-of-mass translational energy distributions. Product energy distributions and dissociation energies were determined. Following vibrational excitation of the HCl stretch fundamental of the HCl-H2O dimer, HCl fragments were detected by 2 + 1 REMPI via the f 3□2(nu' = 0) ← X 1Sigma+(nu'' = 0) and V1Sigma + (nu' = 11 and 12) ← X1Sigma+ (nu'' = 0) transitions. REMPI spectra clearly show HCl from dissociation produced in the ground vibrational state with J'' up to 11. The fragments' center-of-mass translational energy distributions were determined from images of selected rotational states of HCl and were converted to rotational state distributions of the water cofragment. All the distributions could be fit well when using a dimer dissociation energy of bond dissociation energy D0 = 1334 +/- 10 cm--1. The rotational distributions in the water cofragment pair-correlated with specific rotational states of HCl appear nonstatistical when compared to predictions of the statistical phase space theory. A detailed analysis of pair-correlated state distributions was complicated by the large number of water rotational states available, but the data show that the water rotational populations increase with decreasing translational energy. H2O fragments of this dimer were detected by 2 + 1 REMPI via the C˜1B1(000) ← X˜1A1(000) transition. REMPI clearly shows that H2O from dissociation is produced in the ground vibrational state. The fragment's center-of-mass translational energy distributions were determined from images of selected rotational states of H2O and were converted to rotational state distributions of the HCl cofragment. The distributions gave D0 = 1334 +/- 10 cm --1 and show a clear

  15. Controls on Gas Hydrate Formation and Dissociation

    Energy Technology Data Exchange (ETDEWEB)

    Miriam Kastner; Ian MacDonald

    2006-03-03

    The main objectives of the project were to monitor, characterize, and quantify in situ the rates of formation and dissociation of methane hydrates at and near the seafloor in the northern Gulf of Mexico, with a focus on the Bush Hill seafloor hydrate mound; to record the linkages between physical and chemical parameters of the deposits over the course of one year, by emphasizing the response of the hydrate mound to temperature and chemical perturbations; and to document the seafloor and water column environmental impacts of hydrate formation and dissociation. For these, monitoring the dynamics of gas hydrate formation and dissociation was required. The objectives were achieved by an integrated field and laboratory scientific study, particularly by monitoring in situ formation and dissociation of the outcropping gas hydrate mound and of the associated gas-rich sediments. In addition to monitoring with the MOSQUITOs, fluid flow rates and temperature, continuously sampling in situ pore fluids for the chemistry, and imaging the hydrate mound, pore fluids from cores, peepers and gas hydrate samples from the mound were as well sampled and analyzed for chemical and isotopic compositions. In order to determine the impact of gas hydrate dissociation and/or methane venting across the seafloor on the ocean and atmosphere, the overlying seawater was sampled and thoroughly analyzed chemically and for methane C isotope ratios. At Bush hill the pore fluid chemistry varies significantly over short distances as well as within some of the specific sites monitored for 440 days, and gas venting is primarily focused. The pore fluid chemistry in the tub-warm and mussel shell fields clearly documented active gas hydrate and authigenic carbonate formation during the monitoring period. The advecting fluid is depleted in sulfate, Ca Mg, and Sr and is rich in methane; at the main vent sites the fluid is methane supersaturated, thus bubble plumes form. The subsurface hydrology exhibits both

  16. Iodine neutron capture therapy

    Science.gov (United States)

    Ahmed, Kazi Fariduddin

    A new technique, Iodine Neutron Capture Therapy (INCT) is proposed to treat hyperthyroidism in people. Present thyroid therapies, surgical removal and 131I treatment, result in hypothyroidism and, for 131I, involve protracted treatment times and excessive whole-body radiation doses. The new technique involves using a low energy neutron beam to convert a fraction of the natural iodine stored in the thyroid to radioactive 128I, which has a 24-minute half-life and decays by emitting 2.12-MeV beta particles. The beta particles are absorbed in and damage some thyroid tissue cells and consequently reduce the production and release of thyroid hormones to the blood stream. Treatment times and whole-body radiation doses are thus reduced substantially. This dissertation addresses the first of the several steps needed to obtain medical profession acceptance and regulatory approval to implement this therapy. As with other such programs, initial feasibility is established by performing experiments on suitable small mammals. Laboratory rats were used and their thyroids were exposed to the beta particles coming from small encapsulated amounts of 128I. Masses of 89.0 mg reagent-grade elemental iodine crystals have been activated in the ISU AGN-201 reactor to provide 0.033 mBq of 128I. This activity delivers 0.2 Gy to the thyroid gland of 300-g male rats having fresh thyroid tissue masses of ˜20 mg. Larger iodine masses are used to provide greater doses. The activated iodine is encapsulated to form a thin (0.16 cm 2/mg) patch that is then applied directly to the surgically exposed thyroid of an anesthetized rat. Direct neutron irradiation of a rat's thyroid was not possible due to its small size. Direct in-vivo exposure of the thyroid of the rat to the emitted radiation from 128I is allowed to continue for 2.5 hours (6 half-lives). Pre- and post-exposure blood samples are taken to quantify thyroid hormone levels. The serum T4 concentration is measured by radioimmunoassay at

  17. A preliminary study of cortisol and norepinephrine reactivity to psychosocial stress in borderline personality disorder with high and low dissociation.

    Science.gov (United States)

    Simeon, Daphne; Knutelska, Margaret; Smith, Lisa; Baker, Bryann R; Hollander, Eric

    2007-01-15

    The goal of the current study was to investigate subjective and neurohormonal reactivity to acute psychosocial stress in borderline personality disorder (BPD) as a function of dissociative symptoms. Five BPD subjects with high dissociation, 8 BPD subjects with low dissociation, and 11 healthy control subjects were compared in basal urinary cortisol and norepinephrine, as well as in plasma cortisol and norepinephrine reactivity to the Trier Social Stress Test (TSST). Subjective stress rating and emotional response to the TSST were also measured. The three groups differed significantly in cortisol stress reactivity, with the high-dissociation BPD group demonstrating the most robust response. The three groups did not significantly differ in norepinephrine stress reactivity. In the combined BPD sample, dissociation severity tended to be inversely correlated with basal urinary norepinephrine, was positively correlated with norepinephrine stress reactivity. Childhood trauma was inversely correlated with basal urinary cortisol. In conclusion, despite its small sample size this pilot study suggests that dissociative symptomatology may be a marker of heightened biological vulnerability to stress in BPD, and merits further study. PMID:17169436

  18. Materials For Gas Capture, Methods Of Making Materials For Gas Capture, And Methods Of Capturing Gas

    KAUST Repository

    Polshettiwar, Vivek

    2013-06-20

    In accordance with the purpose(s) of the present disclosure, as embodied and broadly described herein, embodiments of the present disclosure, in one aspect, relate to materials that can be used for gas (e.g., CO.sub.2) capture, methods of making materials, methods of capturing gas (e.g., CO.sub.2), and the like, and the like.

  19. Isotope effects in photo dissociation of ozone with visible light

    Science.gov (United States)

    Früchtl, Marion; Janssen, Christof; Röckmann, Thomas

    2014-05-01

    Ozone (O3) plays a key role for many chemical oxidation processes in the Earth's atmosphere. In these chemical reactions, ozone can transfer oxygen to other trace gases. This is particularly interesting, since O3 has a very peculiar isotope composition. Following the mass dependent fractionation equation δ17O = 0.52 * δ18O, most fractionation processes depend directly on mass. However, O3 shows an offset to the mass dependent fractionation line. Processes, which show such anomalies, are termed mass independent fractionations (MIF). A very well studied example for a chemical reaction that leads to mass independent fractionation is the O3 formation reaction. To what degree O3 destruction reactions need to be considered in order to understand the isotope composition of atmospheric O3 is still not fully understood and an open question within scientific community. We set up new experiments to investigate the isotope effect resulting from photo dissociation of O3 in the Chappuis band (R1). Initial O3 is produced by an electric discharge. After photolysis O3 is collected in a cold trap at the triple point temperature of nitrogen (63K). O3 is then converted to O2 in order to measure the oxygen isotopes of O3 using isotope ratio mass spectrometry. To isolate O3 photo dissociation (R1) from O3 decomposition (R2) and secondary O3 formation (R3), we use varying amounts of carbon monoxide (CO) as O atom quencher (R4). In this way we suppress the O + O3 reaction (R3) and determine the isotope fractionation in R1 and R2 separately. We present first results on the isotope effects in O3 photo dissociation with visible light in the presence of different bath gases. Results are interpreted based on chemical kinetics modeling. (R1) O3 + hυ → O (3P) + O2 (R2) O3 + O (3P) → 2 O2 (R3) O + O2 + M → O3 + M (R4) O (3P) + CO + M → CO2 + M

  20. Media Capture and Information Monopolization in Japan

    OpenAIRE

    Au, Pak Hung; Kawai, Keiichi

    2010-01-01

    In this paper, we investigate the unique institution of the Japanese press industry called kisha club system, which is deemed as the symbol of media capture by the government, and collusion in the media industry. By tracing through its history, we show how the institution has developed as a result of the government's attempt to control the media, and the media's incentive to use the alluring opportunity provided by the government to limit the rivalry within the industry. We find that the dist...

  1. Neutron capture cross sections from Surrogate measurements

    OpenAIRE

    Scielzo N.D.; Dietrich F.S.; Escher J.E.

    2010-01-01

    The prospects for determining cross sections for compound-nuclear neutron-capture reactions from Surrogate measurements are investigated. Calculations as well as experimental results are presented that test the Weisskopf-Ewing approximation, which is employed in most analyses of Surrogate data. It is concluded that, in general, one has to go beyond this approximation in order to obtain (n,γ) cross sections of sufficient accuracy for most astrophysical and nuclear-energy applications.

  2. Neutron capture cross sections from Surrogate measurements

    Directory of Open Access Journals (Sweden)

    Scielzo N.D.

    2010-03-01

    Full Text Available The prospects for determining cross sections for compound-nuclear neutron-capture reactions from Surrogate measurements are investigated. Calculations as well as experimental results are presented that test the Weisskopf-Ewing approximation, which is employed in most analyses of Surrogate data. It is concluded that, in general, one has to go beyond this approximation in order to obtain (n,γ cross sections of sufficient accuracy for most astrophysical and nuclear-energy applications.

  3. Temporary Capture of Asteroids by a Planet: Dependence of Prograde/Retrograde Capture on Asteroids' Semimajor Axes

    CERN Document Server

    Higuchi, Arika

    2015-01-01

    We have investigated the dependence of the prograde/retrograde temporary capture of asteroids by a planet on their original heliocentric semimajor axes through analytical arguments and numerical orbital integrations in order to discuss the origins of irregular satellites of giant planets. We found that capture is mostly retrograde for the asteroids near the planetary orbit and is prograde for those from further orbits. An analytical investigation reveals the intrinsic dynamics of these dependences and gives boundary semimajor axes for the change in prograde/retrograde capture. The numerical calculations support the idea of deriving the analytical formulae and confirm their dependence. Our numerical results show that the capture probability is much higher for bodies from the inner region than for outer ones. These results imply that retrograde irregular satellites of Jupiter are most likely to be captured bodies from the nearby orbits of Jupiter that may have the same origin as Trojan asteroids, while prograde...

  4. A new method for capturing alligators using electricity

    Data.gov (United States)

    US Fish and Wildlife Service, Department of the Interior — A study was initiated on Rockefeller Wildlife Refuge in order to investigate the possibility of using an electrical current as an aid in capturing alligators. A...

  5. H2在Aln Cr(n=1-7)团簇上吸附和解离的密度泛函研究%Density functional theoretical investigation for the adsorption and dissociation of molecular hydrogen on AlnCr(n=1-7) clusters

    Institute of Scientific and Technical Information of China (English)

    李向富; 李高清

    2015-01-01

    The adsorption and dissociation of molecular hydrogen on AlnCr(n=1-7) clusters are investigated by using the method of B3LYP in density functional theory. The results show that the structures of AlnCr clusters are similar to those of Aln+1 clusters. H2 is easily adsorbed physically on Cr atom with a side-on orientation. The bond length of H-H increases slightly. The vibration frequency of H2 adsorbed is smaller than that of free molecular H2, namely, a red-shift occurs. Except for n=5, the most stable structures of the other AlnCrH2 clusters are composed by the most stable structures of AlnCr clusters and two H atoms. Charge transfers from AlnCr clusters to H atoms. Average binding energy, vertical ionization potential and energy gap of AlnCrH2 clus-ters are all greater than those of AlnCr clusters, namely AlnCrH2 clusters are more stable than AlnCr clusters. Al7Cr cluster shows stronger inertness for chemical adsorption of H2, while AlnCrH2(n=1,2,6) show stronger chemical activity. The physical and chemical adsorption behavior of H2 on AlnCr clusters can be adjusted by changing the number of Al atom in AlnCr clusters from tracking the chemical reaction path.%采用密度泛函理论中的B3LYP方法研究了H2在AlnCr(n=1-7)团簇上的吸附和解离。结果表明:Aln Cr团簇结构与Aln+1团簇结构相似;物理吸附是H2以侧向的形式吸附在Cr原子上,H-H键长略微增长,H2的振动频率发生了红移;除了n=5外,其它Aln CrH2团簇的最稳定结构均是Aln Cr团簇的最稳定结构与两个氢原子成键而成;Aln Cr团簇向H原子转移了电荷;Aln CrH2团簇的平均结合能,垂直电离势和能隙均大于Aln Cr团簇的,即Aln CrH2团簇比Aln Cr团簇更稳定;Al7 Cr对H2的化学吸附表现出较强的惰性,而AlnCrH2(n=1,2,6)则表现出较强的化学活性;由化学反应路径跟踪可知,通过改变AlnCr团簇中Al原子的个数可以调节H2的物理化学吸附行为。

  6. Direct dissociative chemisorption of propane on Ir(110)

    International Nuclear Information System (INIS)

    We have employed molecular beam techniques to investigate the initial probability of direct dissociative chemisorption, Pd, and the intrinsic trapping probability, ξ, of C3H8, C3D8, and (CH3)2CD2 on Ir(110) as a function of beam translational energy, Ei, from 1.5 to 59 kcal/mol. For C3H8 and (CH3)2CD2, a measurable (≥0.02) initial probability of direct dissociative chemisorption is observed above a beam energy of approximately 7 kcal/mol. For C3D8 this energy is roughly 10 kcal/mol. Above these energies the initial probability of direct chemisorption of each of the isotopomers of propane increases nearly linearly with Ei, approaching a value of approximately Pd=0.48 at Ei=52 kcal/mol for C3H8 and (CH3)2CD2, and Pd=0.44 at Ei=59 kcal/mol for C3D8. This kinetic isotope effect for the direct chemisorption of C3D8 relative to C3H8 is smaller than that expected for a mechanism of H (or D) abstraction by tunneling through an Eckart barrier, suggesting a contribution of C endash C bond cleavage to direct chemisorption. The lack of a kinetic isotope effect for the direct chemisorption of (CH3)2CD2 relative to C3H8 indicates that 1 degree C endash H bond cleavage dominates over 2 degree C endash H bond cleavage during the direct chemisorption of propane on Ir(110). The trapping behavior of each of these isotopomers of propane is approximately identical as a function of Ei, with ξ>0.9 at Ei=1.5 kcal/mol, ξ=0.3 at Ei=20 kcal/mol, and ξi=40 kcal/mol. copyright 1996 American Institute of Physics

  7. Hypotropic Dissociated Vertical Deviation; a Case Report

    Directory of Open Access Journals (Sweden)

    Zhale Rajavi

    2013-01-01

    Full Text Available Purpose: To report the clinical features of a rare case of hypotropic dissociated vertical deviation (DVD. Case report: A 25-year-old female was referred with unilateral esotropia, hypotropia and slow variable downward drift in her left eye. She had history of esotropia since she had been 3-4 months of age. Best corrected visual acuity was 20/20 in her right eye and 20/40 in the left one when hyperopia was corrected. She underwent bimedial rectus muscle recession of 5.25mm for 45 prism diopters (PDs of esotropia. She was orthophoric 3 months after surgery and no further operation was planned for correction of the hypotropic DVD. Conclusion: This rare case of hypotropic DVD showed only mild amblyopia in her non-fixating eye. The etiology was most probably acquired considering hyperopia as a sign of early onset accommodative esotropia.

  8. Coulomb dissociation of light unstable nuclei

    Energy Technology Data Exchange (ETDEWEB)

    Kido, Toshihiko [Japan Atomic Energy Research Inst., Tokai, Ibaraki (Japan). Tokai Research Establishment; Yabana, Kazuhiro; Suzuki, Yoshiyuki

    1997-05-01

    The aim of this study is that a simulation method applicable to the atomic nucleus with neutron halo structure developed till now is applied to a wider range unstable nucleus containing proton excess nucleus to also attribute understanding of nuclear reaction with interest in astronomical nuclear reaction. The proton dissociation energy in {sup 8}B nucleus is small value of 138 eV, which is thought to have a structure of proton at the most outer shell bound much weakly by core nucleus and spread in thinner thickness. For the coulomb excitation of such weak bound system, quantum theoretical and non-perturbational treatment is important. Therefore, 3-dimensional time-dependent Schroedinger equation on relative wave function of the core nucleus {sup 7}Be and halo proton p will be dissolved in time space and will execute a time developmental simulation. (G.K.)

  9. Thermal dissociation and unfolding of insulin

    DEFF Research Database (Denmark)

    Huus, Kasper; Havelund, Svend; Olsen, Helle B;

    2005-01-01

    The thermal stability of human insulin was studied by differential scanning microcalorimetry and near-UV circular dichroism as a function of zinc/protein ratio, to elucidate the dissociation and unfolding processes of insulin in different association states. Zinc-free insulin, which is primarily...... dimeric at room temperature, unfolded at approximately 70 degrees C. The two monomeric insulin mutants Asp(B28) and Asp(B9),Glu(B27) unfolded at higher temperatures, but with enthalpies of unfolding that were approximately 30% smaller. Small amounts of zinc caused a biphasic thermal denaturation pattern...... of insulin. The biphasic denaturation is caused by a redistribution of zinc ions during the heating process and results in two distinct transitions with T(m)'s of approximately 70 and approximately 87 degrees C corresponding to monomer/dimer and hexamer, respectively. At high zinc concentrations (>or=5 Zn(2...

  10. Dissociation predicts treatment response in eye-movement desensitization and reprocessing for posttraumatic stress disorder.

    Science.gov (United States)

    Bae, Hwallip; Kim, Daeho; Park, Yong Chon

    2016-01-01

    Using clinical data from a specialized trauma clinic, this study investigated pretreatment clinical factors predicting response to eye-movement desensitization and reprocessing (EMDR) among adult patients diagnosed with posttraumatic stress disorder (PTSD). Participants were evaluated using the Clinician-Administered PTSD Scale (CAPS), the Symptom Checklist-90-Revised, the Beck Depression Inventory, and the Dissociative Experiences Scale before treatment and were reassessed using the CAPS after treatment and at 6-month follow-up. A total of 69 patients underwent an average of 4 sessions of EMDR, and 60 (87%) completed the posttreatment evaluation, including 8 participants who terminated treatment prematurely. Intent-to-treat analysis revealed that 39 (65%) of the 60 patients were classified as responders and 21 (35%) as nonresponders when response was defined as more than a 30% decrease in total CAPS score. The nonresponders had higher levels of dissociation (depersonalization and derealization) and numbing symptoms, but other PTSD symptoms, such as avoidance, hyperarousal, and intrusion, were not significantly different. The number of psychiatric comorbidities was also associated with treatment nonresponse. The final logistic regression model yielded 2 significant variables: dissociation (p < .001) and more than 2 comorbidities compared to none (p < .05). These results indicate that complex symptom patterns in PTSD may predict treatment response and support the inclusion of the dissociative subtype of PTSD in the Diagnostic and Statistical Manual of Mental Disorders, Fifth Edition. PMID:26156867

  11. Molecular dynamics simulation of ligand dissociation from liver fatty acid binding protein.

    Directory of Open Access Journals (Sweden)

    Dong Long

    Full Text Available The mechanisms of how ligands enter and leave the binding cavity of fatty acid binding proteins (FABPs have been a puzzling question over decades. Liver fatty acid binding protein (LFABP is a unique family member which accommodates two molecules of fatty acids in its cavity and exhibits the capability of interacting with a variety of ligands with different chemical structures and properties. Investigating the ligand dissociation processes of LFABP is thus a quite interesting topic, which however is rather difficult for both experimental approaches and ordinary simulation strategies. In the current study, random expulsion molecular dynamics simulation, which accelerates ligand motions for rapid dissociation, was used to explore the potential egress routes of ligands from LFABP. The results showed that the previously hypothesized "portal region" could be readily used for the dissociation of ligands at both the low affinity site and the high affinity site. Besides, one alternative portal was shown to be highly favorable for ligand egress from the high affinity site and be related to the unique structural feature of LFABP. This result lends strong support to the hypothesis from the previous NMR exchange studies, which in turn indicates an important role for this alternative portal. Another less favored potential portal located near the N-terminal end was also identified. Identification of the dissociation pathways will allow further mechanistic understanding of fatty acid uptake and release by computational and/or experimental techniques.

  12. Molecular dynamics simulation of ligand dissociation from liver fatty acid binding protein.

    Science.gov (United States)

    Long, Dong; Mu, Yuguang; Yang, Daiwen

    2009-01-01

    The mechanisms of how ligands enter and leave the binding cavity of fatty acid binding proteins (FABPs) have been a puzzling question over decades. Liver fatty acid binding protein (LFABP) is a unique family member which accommodates two molecules of fatty acids in its cavity and exhibits the capability of interacting with a variety of ligands with different chemical structures and properties. Investigating the ligand dissociation processes of LFABP is thus a quite interesting topic, which however is rather difficult for both experimental approaches and ordinary simulation strategies. In the current study, random expulsion molecular dynamics simulation, which accelerates ligand motions for rapid dissociation, was used to explore the potential egress routes of ligands from LFABP. The results showed that the previously hypothesized "portal region" could be readily used for the dissociation of ligands at both the low affinity site and the high affinity site. Besides, one alternative portal was shown to be highly favorable for ligand egress from the high affinity site and be related to the unique structural feature of LFABP. This result lends strong support to the hypothesis from the previous NMR exchange studies, which in turn indicates an important role for this alternative portal. Another less favored potential portal located near the N-terminal end was also identified. Identification of the dissociation pathways will allow further mechanistic understanding of fatty acid uptake and release by computational and/or experimental techniques. PMID:19564911

  13. Electron-hole pair effects in methane dissociative chemisorption on Ni(111)

    Science.gov (United States)

    Luo, Xuan; Jiang, Bin; Juaristi, J. Iñaki; Alducin, Maite; Guo, Hua

    2016-07-01

    The dissociative chemisorption of methane on metal surfaces has attracted much attention in recent years as a prototype of gas-surface reactions in understanding the mode specific and bond selective chemistry. In this work, we systematically investigate the influence of electron-hole pair excitations on the dissociative chemisorption of CH4/CH3D/CHD3 on Ni(111). The energy dissipation induced by surface electron-hole pair excitations is modeled as a friction force introduced in the generalized Langevin equation, in which the independent atomic friction coefficients are determined within the local-density friction approximation. Quasi-classical trajectory calculations for CH4/CH3D/CHD3 have been carried out on a recently developed twelve-dimensional potential energy surface. Comparing the dissociation probabilities obtained with and without friction, our results clearly indicate that the electron-hole pair effects are generally small, both on absolute reactivity of each vibrational state and on the mode specificity and bond selectivity. Given similar observations in both water and methane dissociation processes, we conclude that electron-hole pair excitations would not play an important role as long as the reaction is direct and the interaction time between the molecule and metal electrons is relatively short.

  14. Effects of thermodynamic inhibitors on the dissociation of methane hydrate: a molecular dynamics study.

    Science.gov (United States)

    Yagasaki, Takuma; Matsumoto, Masakazu; Tanaka, Hideki

    2015-12-28

    We investigate the effects of methanol and NaCl, which are known as thermodynamic hydrate inhibitors, on the dissociation kinetics of methane hydrate in aqueous solutions by using molecular dynamics simulations. It is shown that the dissociation rate is not constant but changes with time. The dissociation rate in the initial stage is increased by methanol whereas it is decreased by NaCl. This difference arises from the opposite effects of the two thermodynamic inhibitors on the hydration free energy of methane. The dissociation rate of methane hydrate is increased by the formation of methane bubbles in the aqueous phase because the bubbles absorb surrounding methane molecules. It is found that both methanol and NaCl facilitate the bubble formation. However, their mechanisms are completely different from each other. The presence of ions enhances the hydrophobic interactions between methane molecules. In addition, the ions in the solution cause a highly non-uniform distribution of dissolved methane molecules. These two effects result in the easy formation of bubbles in the NaCl solution. In contrast, methanol assists the bubble formation because of its amphiphilic character. PMID:26587576

  15. Switch Function and Pathological Dissociation in Acute Psychiatric Inpatients.

    Directory of Open Access Journals (Sweden)

    Chui-De Chiu

    Full Text Available Swift switching, along with atypical ability on updating and inhibition, has been found in non-clinical dissociators. However, whether swift switching is a cognitive endophenotype that intertwines with traumatisation and pathological dissociation remains unknown. Unspecified acute psychiatric patients were recruited to verify a hypothesis that pathological dissociation is associated with swift switching and traumatisation may explain this relationship. Behavioural measures of intellectual function and three executive functions including updating, switching and inhibition were administered, together with standardised scales to evaluate pathological dissociation and traumatisation. Our results showed superior control ability on switching and updating in inpatients who displayed more symptoms of pathological dissociation. When all three executive functions were entered as predictors, in addition to intellectual quotient and demographic variables to regress upon pathological dissociation, switching rather than updating remained the significant predictor. Importantly, the relationship between pathological dissociation and switching became non-significant when the effect of childhood trauma were controlled. The results support a trauma-related switching hypothesis which postulates swift switching as a cognitive endophenotype of pathological dissociation; traumatisation in childhood may explain the importance of swift switching.

  16. Errors of Logic and Scholarship Concerning Dissociative Identity Disorder

    Science.gov (United States)

    Ross, Colin A.

    2009-01-01

    The author reviewed a two-part critique of dissociative identity disorder published in the "Canadian Journal of Psychiatry". The two papers contain errors of logic and scholarship. Contrary to the conclusions in the critique, dissociative identity disorder has established diagnostic reliability and concurrent validity, the trauma histories of…

  17. Self-Destructive Behavior in People with Dissociative Disorders.

    Science.gov (United States)

    Saxe, Glenn N.; Chawla, Neharika; Van der Kolk, Bessel

    2002-01-01

    Study assesses self-destructive behavior in a group of inpatients who have dissociative disorders compared to those who report few dissociative symptoms. Results reveal that these patients more frequently engage in self-destructive behaviors, use more methods of self-injury, and begin to injure themselves at an earlier age then patients who do not…

  18. Dissociation and Decay of Ultra-cold Sodium Molecules

    OpenAIRE

    Mukaiyama, T.; Abo-Shaeer, J. R.; Xu, K.; Chin, J. K.; Ketterle, W.

    2003-01-01

    The dissociation of ultracold molecules is studied by ramping an external magnetic field through a Feshbach resonance. The observed dissociation energy shows non-linear dependence on the ramp speed and directly yields the strength of the atom-molecule coupling. In addition, inelastic molecule-molecule and molecule-atom collisions are characterized.

  19. CO Blocking of D-2 Dissociative Adsorption on Ru

    NARCIS (Netherlands)

    Ueta, H.; Groot, I. M. N.; Gleeson, M. A.; Stolte, S.; McBane, G. C.; Juurlink, L. B. F.; Kleyn, A. W.

    2008-01-01

    The influence of pre-adsorbed CO on the dissociative adsorption of D-2 on Ru(0001) is studied by molecular-beam techniques. We determine the initial dissociation probability of D-2 as a function of its kinetic energy for various CO pre-coverages between 0.00 and 0.67 monolayers (ML) at a surface tem

  20. RAIRS observation of photoinduced dissociation of NO on Ni(111)

    Science.gov (United States)

    Magkoev, Tamerlan T.; Song, Moon-Bong; Fukutani, Katsuyuki; Murata, Yoshitada

    1995-06-01

    The properties of the {NO}/{Ni(111) } system under nanosecond ultraviolet laser light irradiation are studied by reflection absorption infrared spectroscopy. It is found that adsorbed NO molecules are dissociated by laser light. Dissociation proceeds effectively in a dilute NO layer, whereas it is suppressed in a saturated overlayer.

  1. Early Indicators of Pathological Dissociation in Sexually Abused Children.

    Science.gov (United States)

    McElroy, Linda Provus

    1992-01-01

    This paper reviews factors in the professional neglect of multiple personality disorder (MPD) and sexual abuse in childhood, as well as recent diagnostic developments in childhood dissociative disorders. The identification of subtle dissociative symptomatology in children is illustrated, and two case examples are presented. (Author)

  2. Structure sensitivity of CO dissociation on Rh surfaces

    DEFF Research Database (Denmark)

    Mavrikakis, Manos; Baumer, M.; Freund, H.J.;

    2002-01-01

    Using periodic self-consistent density functional calculations it is shown that the barrier for CO dissociation is similar to120 kJ/mol lower on the stepped Rh(211) surface than on the close-packed Rh(111) surface. The stepped surface binds molecular CO and the dissociation products more strongly...

  3. Dissociative Disorders in Children: Behavioral Profiles and Problems.

    Science.gov (United States)

    Putnam, Frank W.

    1993-01-01

    Clinical research has established a connection between childhood trauma and the development of dissociative disorders in adults. Pathological dissociation produces a range of symptoms and behaviors such as amnesias, rapid shifts in mood and behavior, and auditory and visual hallucinations. Many of these symptoms are misdiagnosed as attention,…

  4. Electron capture and fragmentation in Ar11+ + CO collisions

    International Nuclear Information System (INIS)

    Collisions between 3, 10, and 50 keV/q Ar11+ ions and CO molecules have been studied using the Macdonald Lab CRYEBIS. Coincidence time of flight was used to detect all recoil ions and a position sensitive detector was used to determine final projectile charge states. Single- and double-electron capture are much larger than ionization at these collision energies. The dominant recoil channel associated with the Ar10+ final state is the CO+ molecular ion. The main ion-pair channel is the C+ + O+ dissociation of CO2+ while higher charge states of the transient COq+ fall off rapidly. Charge states up to CO4+ are formed in the collision indicating that many electrons are captured, but only one (and sometimes two) is retained by the projectile. This is due to autoionization of the highly excited states occupied by the captured electrons. In general, the fragmentation pattern of the CO molecule resembles the fragmentation associated with ionization caused by fast highly charged ions. This is as expected, since both processes happen at large impact parameters

  5. Dissociative electron attachment and electron-impact resonant dissociation of vibrationally excited O2 molecules

    CERN Document Server

    Laporta, V; Tennyson, J

    2015-01-01

    State-by-state cross sections for dissociative electron attachment and electron-impact dissociation for molecular oxygen are computed using ab initio resonance curves calculated with the R-matrix method. When O2 is in its vibrational ground state, the main contribution for both processes comes from the $^2\\Pi_u$ resonance state of $O_2^-$ but with a significant contribution from the $^4\\Sigma$ resonant state. Vibrational excitation leads to an increased contribution from the low-lying $^2\\Pi_{g}$ resonance, greatly increased cross sections for both processes, and the threshold moving to lower energies. These results provide important input for models of O2-containing plasmas in nonequilibrium conditions.

  6. Lunar Sulfur Capture System Project

    Data.gov (United States)

    National Aeronautics and Space Administration — The Lunar Sulfur Capture System (LSCS) is an innovative method to recover sulfur compounds from lunar soil using sorbents derived primarily from in-situ resources....

  7. Methane capture from livestock manure.

    Science.gov (United States)

    Tauseef, S M; Premalatha, M; Abbasi, Tasneem; Abbasi, S A

    2013-03-15

    It has been estimated that livestock manure contributes about 240 million metric tons of carbon dioxide equivalent of methane to the atmosphere and represents one of the biggest anthropogenic sources of methane. Considering that methane is the second biggest contributor to global warming after carbon dioxide, it is imperative that ways and means are developed to capture as much of the anthropogenic methane as possible. There is a major associated advantage of methane capture: its use as a source of energy which is comparable in 'cleanness' to natural gas. The present review dwells upon the traditional ways of methane capture used in India, China, and other developing countries for providing energy to the rural poor. It then reviews the present status of methane capture from livestock manure in developed countries and touches upon the prevalent trends.

  8. Controllable dissociations of PH3 molecules on Si(001)

    Science.gov (United States)

    Liu, Qin; Lei, Yanhua; Shao, Xiji; Ming, Fangfei; Xu, Hu; Wang, Kedong; Xiao, Xudong

    2016-04-01

    We demonstrate for the first time to our knowledge that controllable dissociation of PH3 adsorption products PH x (x = 2, 1) can be realized by STM (scanning tunneling microscope) manipulation techniques at room temperature. Five dissociative products and their geometric structures are identified via combining STM experiments and first-principle calculations and simulations. In total we realize nine kinds of controllable dissociations by applying a voltage pulse among the PH3-related structures on Si(001). The dissociation rates of the five most common reactions are measured by the I-t spectrum method as a function of voltage. The suddenly increased dissociation rate at 3.3 V indicates a transition from multivibrational excitation to single-step excitation induced by inelastic tunneling electrons. Our studies prove that selectively breaking the chemical bonds of a single molecule on semiconductor surface by STM manipulation technique is feasible.

  9. Unresolved mourning, supernatural beliefs and dissociation: a mediation analysis.

    Science.gov (United States)

    Thomson, Paula; Jaque, S Victoria

    2014-01-01

    Unresolved mourning is marked by disorganized behavior and states of mind. In this study, we speculated that pathological dissociation would mediate the effects of unresolved mourning on supernatural beliefs. This hypothesis was determined based on findings that indicate an association between higher levels of dissociation, stronger beliefs in the supernatural and unresolved mourning. We examined two groups of participants, one classified as non-unresolved (non-U) (n = 56) and the other as unresolved (n = 26) (U) with respect to past loss/trauma as measured by the Adult Attachment Interview (AAI). Two self-report instruments were administered to measure supernatural beliefs and dissociation. As hypothesized, the multivariate analysis of variance indicated mean differences between the two groups. The unresolved group had greater belief in the supernatural and more pathological dissociative processes. The mediation analysis demonstrated that pathological dissociation fully mediated the effects of unresolved mourning on supernatural beliefs. PMID:24913392

  10. Self Blocking of CO Dissociation on a Stepped Ruthenium Surface

    DEFF Research Database (Denmark)

    Vendelbo, Søren Bastholm; Johansson, Martin; Mowbray, Duncan;

    2010-01-01

    The influence of steps on CO reactions has been studied on a Ru(0 1 (1) over bar 5 4) single crystal with a step density of 4%. Based on temperature programmed desorption (TPD) and oxygen titration experiments as well as density functional theory (DFT) calculations, we show that the CO dissociation...... reaction only occurs on the steps. Under ultra high vacuum (UHV) conditions CO dissociates on the step, the oxygen reacts with CO to form CO2 and the residual carbon blocks the step from further CO dissociation. This mechanism competes with the recombination of carbon and oxygen. At high CO pressures, we...... find step blocking no longer dominates the CO dissociation reaction to the same extent and further carbon uptake is observed. This self-poisoning effect is discussed in relation to similar studies of Ni(14 13 13) where such effects were not observed. We find the apparent dissociation energy on the step...

  11. IV. Dissociative recombination of electrons and molecular ions

    International Nuclear Information System (INIS)

    The present state of the theory of the dissociative recombination of electrons and molecular ions is reviewed and its shortcomings shown. The mechanisms of direct and indirect dissociative processes are described. Several approximative methods employing the analogy with the recombination of atomic ions and electrons are used for the determination of the dissociative recombination factor. Analyzing the derived formulae the temperature dependence of the dissociative recombination factor is determined and the results are compared with experimental data obtained by several authors. The energy levels of atoms created at the dissociative recombination of He2+, Ar2+, and O2+ ions are described. Methods of measuring the recombination factor are listed. The existing experimental data are summarized and the possible explanation of the observed variations is presented. An exhaustive list of references is given. (J.U.)

  12. CO2 Dissociation using the Versatile Atmospheric Dielectric Barrier Discharge Experiment (VADER)

    Science.gov (United States)

    Lindon, Michael Allen

    As of 2013, the Carbon Dioxide Information Analysis Center (CDIAC) estimates that the world emits approximately 36 trillion metric tons of Carbon Dioxide (CO2) into the atmosphere every year. These large emissions have been correlated to global warming trends that have many consequences across the globe, including glacial retraction, ocean acidification and increased severity of weather events. With green technologies still in the infancy stage, it can be expected that CO2 emissions will stay this way for along time to come. Approximately 41% of the emissions are due to electricity production, which pump out condensed forms of CO2. This danger to our world is why research towards new and innovative ways of controlling CO2 emissions from these large sources is necessary. As of now, research is focused on two primary methods of CO2 reduction from condensed CO2 emission sources (like fossil fuel power plants): Carbon Capture and Sequestration (CCS) and Carbon Capture and Utilization (CCU). CCS is the process of collecting CO2 using absorbers or chemicals, extracting the gas from those absorbers and finally pumping the gas into reservoirs. CCU on the other hand, is the process of reacting CO2 to form value added chemicals, which can then be recycled or stored chemically. A Dielectric Barrier discharge (DBD) is a pulsed, low temperature, non-thermal, atmospheric pressure plasma which creates high energy electrons suitable for dissociating CO2 into its components (CO and O) as one step in the CCU process. Here I discuss the viability of using a DBD for CO2 dissociation on an industrial scale as well as the fundamental physics and chemistry of a DBD for CO2 dissociation. This work involved modeling the DBD discharge and chemistry, which showed that there are specific chemical pathways and plasma parameters that can be adjusted to improve the CO2 reaction efficiencies and rates. Experimental studies using the Versatile Atmospheric dielectric barrier Discharge Expe

  13. Value Capture for Transportation Finance

    OpenAIRE

    Zhirong (Jerry) Zhao; Michael Iacono; David Levinson

    2009-01-01

    As vehicles become more fuel-efficient and overall levels of travel stagnate in response to increases in fuel prices, conventional sources of revenue for transportation finance such as taxes on motor fuels have been put under increasing pressure. One potential replacement as a source of revenue is a set of policies collectively referred to as value capture policies. In contrast to fuel taxes and other instruments that impose charges on users of transportation networks, value capture policies ...

  14. Toward transformational carbon capture systems

    Energy Technology Data Exchange (ETDEWEB)

    Miller, David C. [National Energy Technology Laboratory, U.S. Dept. of Energy, Pittsburgh PA (United States); Litynski, John T. [Office of Fossil Energy, U.S. Dept. of Energy, Washington DC (United States); Brickett, Lynn A. [National Energy Technology Laboratory, U.S. Dept. of Energy, Pittsburgh PA (United States); Morreale, Bryan D. [National Energy Technology Laboratory, U.S. Dept. of Energy, Pittsburgh PA (United States)

    2015-10-28

    This paper will briefly review the history and current state of Carbon Capture and Storage (CCS) research and development and describe the technical barriers to carbon capture. it will argue forcefully for a new approach to R&D, which leverages both simulation and physical systems at the laboratory and pilot scales to more rapidly move the best technoogies forward, prune less advantageous approaches, and simultaneously develop materials and processes.

  15. Electron transfer dissociation facilitates the measurement of deuterium incorporation into selectively labeled peptides with single residue resolution

    DEFF Research Database (Denmark)

    Zehl, Martin; Rand, Kasper D; Jensen, Ole N;

    2008-01-01

    the gas-phase structure and fragmentation mechanisms of polypeptide ions. Despite considerable effort in recent years, there is no widely established mass spectrometric method to localize the incorporated deuterium to single amino acid residues, and typically, only the overall deuterium content...... before fragmentation. In contrast, decomposition of radical gas-phase peptide cations upon electron capture dissociation was recently demonstrated to proceed with a very low level of amide hydrogen scrambling. Employing model peptides developed to enable sensitive detection of hydrogen scrambling, we...... show in the present study that electron transfer dissociation in a 3D-quadrupole ion trap retains the site-specific solution-phase deuterium incorporation pattern and allows for localization of incorporated deuterium with single residue resolution. Furthermore, we exploit this finding to monitor how...

  16. Properties of Earth's temporarily-captured flybys

    Science.gov (United States)

    Fedorets, Grigori; Granvik, Mikael

    2014-11-01

    In addition to the Moon, a population of small temporarily-captured NEOs is predicted to orbit the Earth. The definition of a natural Earth satellite is that it is on an elliptic geocentric orbit within 0.03 au from the Earth. The population is further divided into temporarily-captured orbiters (TCOs, or minimoons, making at least one full revolution around the Earth in a coordinate system co-rotating with the Sun) and temporarily-captured flybys (TCFs) which fail to make a full revolution, but are temporarily on an elliptic orbit around the Earth. Only one minimoon has been discovered to date, but it is expected that next generation surveys will be able to detect these objects regularly.Granvik et al. (2012) performed an extensive analysis of the behaviour of these temporarily-captured objects. One of the main results was that at any given moment there is at least one 1-meter-diameter minimoon in orbit around the Earth. However, the results of Granvik et al. (2012) raised questions considering the NES population such as the bimodality of the capture duration distribution and a distinctive lack of test particles within Earth's Hill sphere, which requires investigating the statistical properties also of the TCF population.In this work we confirm the population characteristics for minimoons described by Granvik et al. (2012), and extend the analysis to TCFs. For the calculations we use a Bulirsch-Stoer integrator implemented in the OpenOrb software package (Granvik et al. 2009). We study, e.g., the capture statistics, residence-time distributions, and steady-state properties of TCFs. Our preliminary results indicate that TCFs may be suitable targets for asteroid-redirect missions. More detailed knowledge of the TCF population will also improve our understanding of the link between temporarily-captured objects and NEOs in general.References: Granvik et al. (2009) MPS 44(12), 1853-1861; Granvik et al. (2012) Icarus 218, 262-277.

  17. A structural view of the dissociation of Escherichia coli tryptophanase.

    Science.gov (United States)

    Green, Keren; Qasim, Nasrin; Gdaelvsky, Garik; Kogan, Anna; Goldgur, Yehuda; Parola, Abraham H; Lotan, Ofra; Almog, Orna

    2015-12-01

    Tryptophanase (Trpase) is a pyridoxal 5'-phosphate (PLP)-dependent homotetrameric enzyme which catalyzes the degradation of L-tryptophan. Trpase is also known for its cold lability, which is a reversible loss of activity at low temperature (2°C) that is associated with the dissociation of the tetramer. Escherichia coli Trpase dissociates into dimers, while Proteus vulgaris Trpase dissociates into monomers. As such, this enzyme is an appropriate model to study the protein-protein interactions and quaternary structure of proteins. The aim of the present study was to understand the differences in the mode of dissociation between the E. coli and P. vulgaris Trpases. In particular, the effect of mutations along the molecular axes of homotetrameric Trpase on its dissociation was studied. To answer this question, two groups of mutants of the E. coli enzyme were created to resemble the amino-acid sequence of P. vulgaris Trpase. In one group, residues 15 and 59 that are located along the molecular axis R (also termed the noncatalytic axis) were mutated. The second group included a mutation at position 298, located along the molecular axis Q (also termed the catalytic axis). Replacing amino-acid residues along the R axis resulted in dissociation of the tetramers into monomers, similar to the P. vulgaris Trpase, while replacing amino-acid residues along the Q axis resulted in dissociation into dimers only. The crystal structure of the V59M mutant of E. coli Trpase was also determined in its apo form and was found to be similar to that of the wild type. This study suggests that in E. coli Trpase hydrophobic interactions along the R axis hold the two monomers together more strongly, preventing the dissociation of the dimers into monomers. Mutation of position 298 along the Q axis to a charged residue resulted in tetramers that are less susceptible to dissociation. Thus, the results indicate that dissociation of E. coli Trpase into dimers occurs along the molecular Q axis.

  18. Non-dissociative and dissociative ionisation of H sub 2 by 50-2000 keV antiprotons

    Energy Technology Data Exchange (ETDEWEB)

    Andersen, L.H.; Hvelplund, P.; Knudsen, H.; Moeller, S.P.; Pedersen, J.O.P.; Tang-Petersen, S.; Uggerhoej, E. (Aarhus Univ. (Denmark). Inst. of Physics); Elsener, K. (European Organization for Nuclear Research, Geneva (Switzerland)); Morenzoni, E. (Paul Scherrer Inst. (PSI), Villigen (Switzerland))

    1990-08-14

    A beam of antiprotons with energies between 50 keV and 2 MeV has been used for measurements of non-dissociative ionisation and dissociative ionisation cross sections of H{sub 2}. The results are compared with cross sections for equivelocity protons and electrons, and the role of interference effects in two-electron processes is discussed. (author).

  19. Abnormal Hippocampal Morphology in Dissociative Identity Disorder and Post-Traumatic Stress Disorder Correlates with Childhood Trauma and Dissociative Symptoms

    NARCIS (Netherlands)

    Chalavi, Sima; Vissia, Eline M.; Giesen, Mechteld E.; Nijenhuis, Ellert R. S.; Draijer, Nel; Cole, James H.; Dazzan, Paola; Pariante, Carmine M.; Madsen, Sarah K.; Rajagopalan, Priya; Thompson, Paul M.; Toga, Arthur W.; Veltman, Dick J.; Reinders, Antje A. T. S.

    2015-01-01

    Smaller hippocampal volume has been reported in individuals with post-traumatic stress disorder (PTSD) and dissociative identity disorder (DID), but the regional specificity of hippocampal volume reductions and the association with severity of dissociative symptoms and/or childhood traumatization ar

  20. Experimental study on fly ash capture mercury in flue gas

    Institute of Scientific and Technical Information of China (English)

    Mercedes; DíAZ-SOMOANO; Patricia; ABAD-VALLE; M.Rosa; MARTíNEZ-TARAZONA

    2010-01-01

    Systematic experiments were conducted on a fixed-bed reactor to investigate the interaction between fly ash and mercury,the results implied that fly ash can capture mercury effectively.Among different fly ashes,the unburned carbon in the FA2 and FA3 fly ashes has the highest mercury capture capacity,up to 10.3 and 9.36 μg/g,respectively,which is close to that of commercial activated carbon.There is no obvious relationship between mercury content and carbon content or BET surface area of fly ash.Petrography classification standard was applied to distinguish fly ash carbon particles.Carbon content is not the only variable that controls mercury capture on fly ash,there are likely significant differences in the mercury capture capacities of the various carbon forms.Mercury capture capacity mainly depends on the content of anisotropy carbon particles with porous network structure.

  1. Dissociations of the night: individual differences in sleep-related experiences and their relation to dissociation and schizotypy.

    Science.gov (United States)

    Watson, D

    2001-11-01

    The author examined the associations among sleep-related experiences (e.g., hypnagogic hallucinations, nightmares, waking dreams, and lucid dreams), dissociation, schizotypy, and the Big Five personality traits in 2 large student samples. Confirmatory factor analyses indicated that (a) dissociation and schizotypy are strongly correlated-yet distinguishable-constructs, and (b) the differentiation between them can be enhanced by eliminating detachment/depersonalization items from the dissociation scales. A general measure of sleep experiences was substantially correlated with both schizotypy and dissociation (especially the latter) and more weakly related to the Big Five. In contrast, an index of lucid dreaming was weakly related to all of these other scales. These results suggest that measures of dissociation, schizotypy, and sleep-related experiences all define a common domain characterized by unusual cognitions and perceptions.

  2. Dissociations of the night: individual differences in sleep-related experiences and their relation to dissociation and schizotypy.

    Science.gov (United States)

    Watson, D

    2001-11-01

    The author examined the associations among sleep-related experiences (e.g., hypnagogic hallucinations, nightmares, waking dreams, and lucid dreams), dissociation, schizotypy, and the Big Five personality traits in 2 large student samples. Confirmatory factor analyses indicated that (a) dissociation and schizotypy are strongly correlated-yet distinguishable-constructs, and (b) the differentiation between them can be enhanced by eliminating detachment/depersonalization items from the dissociation scales. A general measure of sleep experiences was substantially correlated with both schizotypy and dissociation (especially the latter) and more weakly related to the Big Five. In contrast, an index of lucid dreaming was weakly related to all of these other scales. These results suggest that measures of dissociation, schizotypy, and sleep-related experiences all define a common domain characterized by unusual cognitions and perceptions. PMID:11727942

  3. Electron capture by protons and deuterons

    International Nuclear Information System (INIS)

    Cross section measurements are reported for electron capture into the 3s state by 20-150 keV protons and deuterons incident on molecular hydrogen and deuterium. Conventional wisdom indicates that these cross sections should be nearly identical at equivalent velocities and researchers routinely use deuteron projectiles to extend proton excitation curves downward in velocity. This practice has been questioned on theoretical grounds and some investigators have reported consistent differences in cross sections for the two isotopes, however, nearly always within the experimental uncertainty of the measurements. The authors have made a systematic study of the 3s electron capture cross sections described above to check for isotopic effects. These cross sections are then compared to previous measurements reported in the literature

  4. Influence of dissociative recombination on the LTE of argon high-frequency plasmas at atmospheric pressure

    CERN Document Server

    Sainz, A; García, M C; Calzada, M D; Sainz, Abel; Margot, Joelle; Garcia, Maria Carmen; Calzada, Maria Dolores

    2004-01-01

    This work presents a few preliminary results from a collisional-radiative (CR) model intended to describe an argon microwave (2.45 GHz) plasma at atmospheric pressure. This model aims to investigate the influence of dissociative recombination products on the Saha-Boltzmann plasma equilibrium. The model is tested through comparison with experimental results obtained in an argon plasma column generated by a traveling electromagnetic surface-wave, which is suitable to perform a parametric investigation of the plasma. It is shown that dissociative recombination predominantly populates the 4s levels and the ground state. It is further observed that it strongly influences the population of the levels, specially those of lower energy. However, the higher levels (close to the ionization limit) appear to be in equilibrium whatever the plasma density. This allows assuming that the excitation temperature Texc determined from the upper levels in the atomic system in the Boltzmann-plot is equal to Te.

  5. Molecular dynamics study of solvation effects on acid dissociation in aprotic media

    CERN Document Server

    Laria, D; Estrin, D A; Ciccotti, G; Laria, Daniel; Kapral, Raymond; Estrin, Dario; Ciccotti, Giovanni

    1996-01-01

    Acid ionization in aprotic media is studied using Molecular Dynamics techniques. In particular, models for HCl ionization in acetonitrile and dimethylsulfoxide are investigated. The proton is treated quantum mechanically using Feynman path integral methods and the remaining molecules are treated classically. Quantum effects are shown to be essential for the proper treatment of the ionization. The potential of mean force is computed as a function of the ion pair separation and the local solvent structure is examined. The computed dissociation constants in both solvents differ by several orders of magnitude which are in reasonable agreement with experimental results. Solvent separated ion pairs are found to exist in dimethylsulfoxide but not in acetonitrile. Dissociation mechanisms in small clusters are also investigated. Solvent separated ion pairs persist even in aggregates composed of rather few molecules, for instance, as few as thirty molecules. For smaller clusters or for large ion pair separations cluste...

  6. Dissociative diffusion mechanism in vacancy-rich materials according to mass action kinetics

    Science.gov (United States)

    Biderman, N. J.; Sundaramoorthy, R.; Haldar, Pradeep; Lloyd, J. R.

    2016-05-01

    Two sets of diffusion-reaction numerical simulations using a finite difference method (FDM) were conducted to investigate fast impurity diffusion via interstitial sites in vacancy-rich materials such as Cu(In,Ga)Se2 (CIGS) and Cu2ZnSn(S, Se)4 (CZTSSe or CZTS) via the dissociative diffusion mechanism where the interstitial diffuser ultimately reacts with a vacancy to produce a substitutional. The first set of simulations extends the standard interstitial-limited dissociative diffusion theory to vacancy-rich material conditions where vacancies are annihilated in large amounts, introducing non-equilibrium vacancy concentration profiles. The second simulation set explores the vacancy-limited dissociative diffusion where impurity incorporation increases the equilibrium vacancy concentration. In addition to diffusion profiles of varying concentrations and shapes that were obtained in all simulations, some of the profiles can be fitted with the constant- and limited-source solutions of Fick's second law despite the non-equilibrium condition induced by the interstitial-vacancy reaction. The first set of simulations reveals that the dissociative diffusion coefficient in vacancy-rich materials is inversely proportional to the initial vacancy concentration. In the second set of numerical simulations, impurity-induced changes in the vacancy concentration lead to distinctive diffusion profile shapes. The simulation results are also compared with published data of impurity diffusion in CIGS. According to the characteristic properties of diffusion profiles from the two set of simulations, experimental detection of the dissociative diffusion mechanism in vacancy-rich materials may be possible.

  7. Dissociative diffusion mechanism in vacancy-rich materials according to mass action kinetics

    Directory of Open Access Journals (Sweden)

    N. J. Biderman

    2016-05-01

    Full Text Available Two sets of diffusion-reaction numerical simulations using a finite difference method (FDM were conducted to investigate fast impurity diffusion via interstitial sites in vacancy-rich materials such as Cu(In,GaSe2 (CIGS and Cu2ZnSn(S, Se4 (CZTSSe or CZTS via the dissociative diffusion mechanism where the interstitial diffuser ultimately reacts with a vacancy to produce a substitutional. The first set of simulations extends the standard interstitial-limited dissociative diffusion theory to vacancy-rich material conditions where vacancies are annihilated in large amounts, introducing non-equilibrium vacancy concentration profiles. The second simulation set explores the vacancy-limited dissociative diffusion where impurity incorporation increases the equilibrium vacancy concentration. In addition to diffusion profiles of varying concentrations and shapes that were obtained in all simulations, some of the profiles can be fitted with the constant- and limited-source solutions of Fick’s second law despite the non-equilibrium condition induced by the interstitial-vacancy reaction. The first set of simulations reveals that the dissociative diffusion coefficient in vacancy-rich materials is inversely proportional to the initial vacancy concentration. In the second set of numerical simulations, impurity-induced changes in the vacancy concentration lead to distinctive diffusion profile shapes. The simulation results are also compared with published data of impurity diffusion in CIGS. According to the characteristic properties of diffusion profiles from the two set of simulations, experimental detection of the dissociative diffusion mechanism in vacancy-rich materials may be possible.

  8. Dissociative ionization of methanol in medium intense femtosecond laser field using time-of-flight mass spectrometry

    International Nuclear Information System (INIS)

    800 nm 100 fs laser combined with TOF mass spectrometer was used to investigate the dissociative ionization of methanol, CH3OH in the laser intensity less than 4×1013 W/cm2. The results showed that the dissociation follows a sequential step-wise dissociation pattern, with no sign for Coulomb explosion. At very low intensity 1.4×1013 W/cm2, only the parent ion CH3OH+ appears. At 1.7×1013 W/cm2, the dissociation products are mainly due to hydrogen elimination from the O–H or C–H bonds forming CH3O+ and CH2OH+ primary ions. At 2.0×1013 W/cm2, the C–O bond starts to break forming CH3+, which simultaneously dissociates to CH2+. The primary fragment ions CH3O+ and CH2OH+ start to dissociate into lower secondary fragments as CH2O+ and CHO+ for the former and CHOH+ and COH+ for the latter. At 2.8×1013 W/cm2, secondary dissociation fragments dominate the spectrum including C+, CH+, CH2+, OH+, and O+ and the H+ is detected. At 3.0×1013 W/cm2, H2+ is detected. For all ions formed, the ion yield increases with laser intensity till it reaches maximum, after which it drops down manifesting the dissociation of these ions into smaller fragments. Among all ions, only H+ was found to have angular anisotropic distribution. - Highlights: • Dissociation follows step-wise dissociation with no sign for Coulomb explosion. • CH3OH+, CH3O+, CH3+ form at 1.4×1013, 1.7×1013, 2.0×1013 W/cm2, respectively. • C+, CH+, CH2+, OH+, and O+ and the H+ is detected at 2.8⁎1013 W/cm2. • H2+ is detected at 3.0×1013 W/cm2. • Among all ions, only H+ was found to have angular anisotropic distribution

  9. Presence capture cameras - a new challenge to the image quality

    Science.gov (United States)

    Peltoketo, Veli-Tapani

    2016-04-01

    Commercial presence capture cameras are coming to the markets and a new era of visual entertainment starts to get its shape. Since the true presence capturing is still a very new technology, the real technical solutions are just passed a prototyping phase and they vary a lot. Presence capture cameras have still the same quality issues to tackle as previous phases of digital imaging but also numerous new ones. This work concentrates to the quality challenges of presence capture cameras. A camera system which can record 3D audio-visual reality as it is has to have several camera modules, several microphones and especially technology which can synchronize output of several sources to a seamless and smooth virtual reality experience. Several traditional quality features are still valid in presence capture cameras. Features like color fidelity, noise removal, resolution and dynamic range create the base of virtual reality stream quality. However, co-operation of several cameras brings a new dimension for these quality factors. Also new quality features can be validated. For example, how the camera streams should be stitched together with 3D experience without noticeable errors and how to validate the stitching? The work describes quality factors which are still valid in the presence capture cameras and defines the importance of those. Moreover, new challenges of presence capture cameras are investigated in image and video quality point of view. The work contains considerations how well current measurement methods can be used in presence capture cameras.

  10. Bibliography of molecular dissociation in heavy particle collisions, 1950--75

    International Nuclear Information System (INIS)

    This annotated bibliography lists published work on molecular dissociation in heavy particle collisions for the period 1950 to 1975. Sources include scientific journals, abstract compilations, conference proceedings, books, and reports. The bibliography is arranged alphabetically by author. Each entry indicates whether the work was experimental or theoretical, what energy range was covered, and what reactants were investigated. Following the bibliographical listing are indexes of reactants and authors

  11. Modulation of Network Activity in Dissociated Hippocampal Cultures by Enzymatic Digestion of Extracellular Matrix

    OpenAIRE

    Mukhina I.V.; Vedunova М.V.; Sakharnova Т.А.; Dityatev А.E.

    2012-01-01

    To investigate the role of extracellular matrix in spontaneous neuronal network activity, we used microelectrode array technology and enzymatic treatment of hippocampal culture with hyaluronidase, which digests the major component of extracellular matrix, hyaluronic acid. Studies were performed using hippocampal cells that were dissociated from embryonic С57ВL6 mice (E18) and plated on microelectrode arrays (MEAs). Our findings revealed that hyaluronidase promoted seizure-like activity during...

  12. Spontaneous dissociation of a conjugated molecule on the Si(100) surface

    OpenAIRE

    Lin, Rong; Galili, Michael; Quaade, Ulrich; Brandbyge, Mads; Bjørnholm, Thomas; Esposti, A.D.; F. Biscarini; Stokbro, Kurt

    2002-01-01

    The adsorption mechanism of alpha-sexithiophene (alpha-6T) on the clean Si(100)-(2x1) surface has been investigated using scanning tunneling microscopy (STM) and first principles electronic structure calculations. We find that at submonolayer coverage, the alpha-6T molecules are not stable and dissociate into monomers. We observe two different configurations of the monomers and have discussed the corresponding adsorption geometries based on theoretical calculations. The calculations elucidate...

  13. Origin of Asymmetric Charge Partitioning in the Dissociation of Gas-Phase Protein Homodimers

    OpenAIRE

    Jurchen, John C.; Evan R Williams

    2003-01-01

    The origin of asymmetric charge and mass partitioning observed for gas-phase dissociation of multiply charged macromolecular complexes has been hotly debated. These experiments hold the potential to provide detailed information about the interactions between the macromolecules within the complex. Here, this unusual phenomenon of asymmetric charge partitioning is investigated for several protein homodimers. Asymmetric charge partitioning in these ions depends on a number of factors, including ...

  14. Evidence for broken ergodicity due to chemical alloying from the dissociation kinetics of binary clusters

    OpenAIRE

    Yurtsever, Ersin; Calvo, Florent

    2014-01-01

    The interplay between thermal relaxation and statistical dissociation in binary Morse clusters (AB)N has been investigated using numerical simulations and simple statistical approaches, for a variety of interaction parameters covering miscible and non-miscible regimes. While all clusters exhibit a core/shell phase separation pattern in their most stable, T = 0 structure, different melting mechanisms are identified depending on the ranges and their mismatch, including two-step melting of the s...

  15. Catalytic water dissociation by greigite Fe3S4 surfaces: density functional theory study

    OpenAIRE

    Roldan, A.; de Leeuw, N. H.

    2016-01-01

    The iron sulfide mineral greigite, Fe3S4, has shown promising capability as a hydrogenating catalyst, in particular in the reduction of carbon dioxide to produce small organic molecules under mild conditions. We employed density functional theory calculations to investigate the {001},{011} and {111} surfaces of this iron thiospinel material, as well as the production of hydrogen ad-atoms from the dissociation of water molecules on the surfaces. We systematically analysed the adsorption geomet...

  16. Bibliography of molecular dissociation in heavy particle collisions, 1950--75

    Energy Technology Data Exchange (ETDEWEB)

    McDaniel, E.W.; Barnett, C.F.; Crandall, D.H.; Gilbody, H.B.; Kirkpatrick, M.I.; Phaneuf, R.A.; Thomas, E.W.

    1979-02-01

    This annotated bibliography lists published work on molecular dissociation in heavy particle collisions for the period 1950 to 1975. Sources include scientific journals, abstract compilations, conference proceedings, books, and reports. The bibliography is arranged alphabetically by author. Each entry indicates whether the work was experimental or theoretical, what energy range was covered, and what reactants were investigated. Following the bibliographical listing are indexes of reactants and authors.

  17. Dissociative adsorption of methane on surface oxide structures of Pd-Pt alloys

    OpenAIRE

    Dianat, Arezoo; Seriani, Nicola; Ciacchi, Lucio Colombi; Pompe, Wolfgang; Cuniberti, Gianaurelio; Bobeth, Manfred

    2010-01-01

    The dissociative adsorption of methane on variously oxidized Pd, Pt and Pd-Pt surfaces is investigated using density-functional theory, as a step towards understanding the combustion of methane on these materials. For Pd-Pt alloys, models of surface oxide structures are built on the basis of known oxides on Pd and Pt. The methane adsorption energy presents large variations depending on the oxide structure and composition. Adsorption is endothermic on the bare Pd(111) metal surface as well as ...

  18. CHAOTIC CAPTURE OF NEPTUNE TROJANS

    International Nuclear Information System (INIS)

    Neptune Trojans (NTs) are swarms of outer solar system objects that lead/trail planet Neptune during its revolutions around the Sun. Observations indicate that NTs form a thick cloud of objects with a population perhaps ∼10 times more numerous than that of Jupiter Trojans and orbital inclinations reaching ∼25 deg. The high inclinations of NTs are indicative of capture instead of in situ formation. Here we study a model in which NTs were captured by Neptune during planetary migration when secondary resonances associated with the mean-motion commensurabilities between Uranus and Neptune swept over Neptune's Lagrangian points. This process, known as chaotic capture, is similar to that previously proposed to explain the origin of Jupiter's Trojans. We show that chaotic capture of planetesimals from an ∼35 Earth-mass planetesimal disk can produce a population of NTs that is at least comparable in number to that inferred from current observations. The large orbital inclinations of NTs are a natural outcome of chaotic capture. To obtain the ∼4:1 ratio between high- and low-inclination populations suggested by observations, planetary migration into a dynamically excited planetesimal disk may be required. The required stirring could have been induced by Pluto-sized and larger objects that have formed in the disk.

  19. Coulomb dissociation reactions on molybdenum isotopes for astrophysics applications

    Energy Technology Data Exchange (ETDEWEB)

    Ershova, Olga

    2012-03-09

    Within the present work, photodissociation reactions on {sup 100}Mo, {sup 93}Mo and {sup 92}Mo isotopes were studied by means of the Coulomb dissociation method at the LAND setup at GSI. As a result of the analysis of the present experiment, integrated Coulomb excitation cross sections of the {sup 100}Mo({gamma},n), {sup 100}Mo({gamma},2n), {sup 93}Mo({gamma},n) and {sup 92}Mo({gamma},n) reactions were determined. A second important topic of the present thesis is the investigation of the efficiency of the CsI gamma detector. The data taken with the gamma calibration sources shortly after the experiment were used for the investigation. In addition, a test experiment in refined conditions was conducted within the framework of this thesis. Numerous GEANT3 simulations of the detector were performed in order to understand various aspects of its performance. As a result, the efficiency of the detector was determined to be approximately a factor of 2 lower than the efficiency expected from the simulation. (orig.)

  20. Proton angular distribution following multiphoton dissociative ionization of H2

    International Nuclear Information System (INIS)

    The angular distribution of protons ejected following resonant (2+1)-photon dissociative ionization of H2 by 193-nm radiation through the E,F state has been obtained. The analysis shows that the Π character of the degenerate continuum states is approximately eight times larger than the Σ character, which is consistent with previous single-photon measurements. The analysis presented here, together with a previous analysis of the proton energy distribution, reveals the ionization channel to be significantly stronger than both the dissociation and dissociative ionization channels

  1. State dissociation, human behavior, and consciousness.

    Science.gov (United States)

    Mahowald, Mark W; Cramer Bornemann, Michel A; Schenck, Carlos H

    2011-01-01

    Sleep is clearly not only a whole-brain or global phenomenon, but can also be a local phenomenon. This accounts for the fact that the primary states of being (wakefulness, NREM sleep, and REM sleep) are not necessarily mutually exclusive, and components of these states may appear in various combinations, with fascinating clinical consequences. Examples include: sleep inertia, narcolepsy, sleep paralysis, lucid dreaming, REM sleep behavior disorder, sleepwalking, sleep terrors, out-of-body experiences, and reports of alien abduction. The incomplete declaration of state likewise has implications for consciousness - which also has fluid boundaries. Fluctuations in the degree of consciousness are likely explained by abnormalities of a "spatial and temporal binding rhythm" which normally results in a unified conscious experience. Dysfunctional binding may play a role in anesthetic states, autism, schizophrenia, and neurodegenerative disorders. Further study of the broad spectrum of dissociated states of sleep and wakefulness that are closely linked with states of consciousness and unconsciousness by basic neuroscientists, clinicians, and members of the legal profession will provide scientific, clinical and therapeutic insights, with forensic implications. PMID:21906025

  2. Activated Dissociation of HCl on Au(111).

    Science.gov (United States)

    Shirhatti, Pranav R; Geweke, Jan; Steinsiek, Christoph; Bartels, Christof; Rahinov, Igor; Auerbach, Daniel J; Wodtke, Alec M

    2016-04-01

    We report zero-coverage reaction probabilities (S0) for HCl dissociative adsorption on Au(111) obtained by the seeded molecular beam hot-nozzle method. For measurements at normal incidence with mean translational energies ranging from 0.94 to 2.56 eV (nozzle temperatures 296 to 1060 K), S0 increased from 6 × 10(-6) to 2 × 10(-2). S0 also increased with increasing nozzle temperature for fixed incidence energy associated with the motion normal to the surface. Accounting for the influence of the vibrational state population and translational energy distributions in the incident beam, we are able to compare the experimental results to recent theoretical predictions. These calculations, performed employing 6-D quantum dynamics on an electronically adiabatic potential energy surface obtained using density functional theory at the level of the generalized gradient approximation and the static surface approximation, severely overestimate the reaction probabilities when compared with our experimental results. We discuss some possible reasons for this large disagreement. PMID:26990513

  3. Visuomotor Dissociation in Cerebral Scaling of Size.

    Science.gov (United States)

    Potgieser, Adriaan R E; de Jong, Bauke M

    2016-01-01

    Estimating size and distance is crucial in effective visuomotor control. The concept of an internal coordinate system implies that visual and motor size parameters are scaled onto a common template. To dissociate perceptual and motor components in such scaling, we performed an fMRI experiment in which 16 right-handed subjects copied geometric figures while the result of drawing remained out of sight. Either the size of the example figure varied while maintaining a constant size of drawing (visual incongruity) or the size of the examples remained constant while subjects were instructed to make changes in size (motor incongruity). These incongruent were compared to congruent conditions. Statistical Parametric Mapping (SPM8) revealed brain activations related to size incongruity in the dorsolateral prefrontal and inferior parietal cortex, pre-SMA / anterior cingulate and anterior insula, dominant in the right hemisphere. This pattern represented simultaneous use of a 'resized' virtual template and actual picture information requiring spatial working memory, early-stage attention shifting and inhibitory control. Activations were strongest in motor incongruity while right pre-dorsal premotor activation specifically occurred in this condition. Visual incongruity additionally relied on a ventral visual pathway. Left ventral premotor activation occurred in all variably sized drawing while constant visuomotor size, compared to congruent size variation, uniquely activated the lateral occipital cortex additional to superior parietal regions. These results highlight size as a fundamental parameter in both general hand movement and movement guided by objects perceived in the context of surrounding 3D space. PMID:26963705

  4. Dissociation of recombinant prion autocatalysis from infectivity.

    Science.gov (United States)

    Noble, Geoffrey P; Supattapone, Surachai

    2015-01-01

    Within the mammalian prion field, the existence of recombinant prion protein (PrP) conformers with self-replicating (ie. autocatalytic) activity in vitro but little to no infectious activity in vivo challenges a key prediction of the protein-only hypothesis of prion replication--that autocatalytic PrP conformers should be infectious. To understand this dissociation of autocatalysis from infectivity, we recently performed a structural and functional comparison between a highly infectious and non-infectious pair of autocatalytic recombinant PrP conformers derived from the same initial prion strain. (1) We identified restricted, C-terminal structural differences between these 2 conformers and provided evidence that these relatively subtle differences prevent the non-infectious conformer from templating the conversion of native PrP(C) substrates containing a glycosylphosphatidylinositol (GPI) anchor. (1) In this article we discuss a model, consistent with these findings, in which recombinant PrP, lacking post-translational modifications and associated folding constraints, is capable of adopting a wide variety of autocatalytic conformations. Only a subset of these recombinant conformers can be adopted by post-translationally modified native PrP(C), and this subset represents the recombinant conformers with high specific infectivity. We examine this model's implications for the generation of highly infectious recombinant prions and the protein-only hypothesis of prion replication.

  5. Visuomotor Dissociation in Cerebral Scaling of Size.

    Science.gov (United States)

    Potgieser, Adriaan R E; de Jong, Bauke M

    2016-01-01

    Estimating size and distance is crucial in effective visuomotor control. The concept of an internal coordinate system implies that visual and motor size parameters are scaled onto a common template. To dissociate perceptual and motor components in such scaling, we performed an fMRI experiment in which 16 right-handed subjects copied geometric figures while the result of drawing remained out of sight. Either the size of the example figure varied while maintaining a constant size of drawing (visual incongruity) or the size of the examples remained constant while subjects were instructed to make changes in size (motor incongruity). These incongruent were compared to congruent conditions. Statistical Parametric Mapping (SPM8) revealed brain activations related to size incongruity in the dorsolateral prefrontal and inferior parietal cortex, pre-SMA / anterior cingulate and anterior insula, dominant in the right hemisphere. This pattern represented simultaneous use of a 'resized' virtual template and actual picture information requiring spatial working memory, early-stage attention shifting and inhibitory control. Activations were strongest in motor incongruity while right pre-dorsal premotor activation specifically occurred in this condition. Visual incongruity additionally relied on a ventral visual pathway. Left ventral premotor activation occurred in all variably sized drawing while constant visuomotor size, compared to congruent size variation, uniquely activated the lateral occipital cortex additional to superior parietal regions. These results highlight size as a fundamental parameter in both general hand movement and movement guided by objects perceived in the context of surrounding 3D space.

  6. Visuomotor Dissociation in Cerebral Scaling of Size.

    Directory of Open Access Journals (Sweden)

    Adriaan R E Potgieser

    Full Text Available Estimating size and distance is crucial in effective visuomotor control. The concept of an internal coordinate system implies that visual and motor size parameters are scaled onto a common template. To dissociate perceptual and motor components in such scaling, we performed an fMRI experiment in which 16 right-handed subjects copied geometric figures while the result of drawing remained out of sight. Either the size of the example figure varied while maintaining a constant size of drawing (visual incongruity or the size of the examples remained constant while subjects were instructed to make changes in size (motor incongruity. These incongruent were compared to congruent conditions. Statistical Parametric Mapping (SPM8 revealed brain activations related to size incongruity in the dorsolateral prefrontal and inferior parietal cortex, pre-SMA / anterior cingulate and anterior insula, dominant in the right hemisphere. This pattern represented simultaneous use of a 'resized' virtual template and actual picture information requiring spatial working memory, early-stage attention shifting and inhibitory control. Activations were strongest in motor incongruity while right pre-dorsal premotor activation specifically occurred in this condition. Visual incongruity additionally relied on a ventral visual pathway. Left ventral premotor activation occurred in all variably sized drawing while constant visuomotor size, compared to congruent size variation, uniquely activated the lateral occipital cortex additional to superior parietal regions. These results highlight size as a fundamental parameter in both general hand movement and movement guided by objects perceived in the context of surrounding 3D space.

  7. Dynamics of tidally captured planets in the Galactic Center

    CERN Document Server

    Trani, Alessandro Alberto; Spera, Mario; Bressan, Alessandro

    2016-01-01

    Recent observations suggest ongoing planet formation in the innermost parsec of our Galaxy. The super-massive black hole (SMBH) might strip planets or planetary embryos from their parent star, bringing them close enough to be tidally disrupted. We investigate the chance of planet tidal captures by running three-body encounters of SMBH-star-planet systems with a high-accuracy regularized code. We show that tidally captured planets have orbits close to those of their parent star. We conclude that the final periapsis distance of the captured planet from the SMBH will be much larger than 200 AU, unless its parent star was already on a highly eccentric orbit.

  8. Capture into resonance and phase space dynamics in optical centrifuge

    CERN Document Server

    Armon, Tsafrir

    2016-01-01

    The process of capture of a molecular enesemble into rotational resonance in the optical centrifuge is investigated. The adiabaticity and phase space incompressibility are used to find the resonant capture probability in terms of two dimensionless parameters P1,P2 characterising the driving strength and the nonlinearity, and related to three characteristic time scales in the problem. The analysis is based on the transformation to action-angle variables and the single resonance approximation, yielding reduction of the three-dimensional rotation problem to one degree of freedom. The analytic results for capture probability are in a good agreement with simulations. The existing experiments satisfy the validity conditions of the theory.

  9. Proton capture by magnetic monopoles

    International Nuclear Information System (INIS)

    In the Kazama-Yang approximation, the lowest monopole-proton bound states have binding energies of 938 MeV, 263 keV, 105 eV, and 0.04 eV. The cross section for radiative capture to these states is for velocities β = 10-5 - 10-3 found to be of the order of 10-28 - 10-26 cm2. For the state that has a binding energy of 263 keV, the capture length in water is 171 x (β/10-4)sup(0.48) m. Observation of photons from the capture process would indicate the presence of monopoles. (orig.)

  10. Mercury capture in bench-scale absorbers

    Energy Technology Data Exchange (ETDEWEB)

    Livengood, C.D.; Huang, H.S.; Mendelsohn, M.H.; Wu, J.M.

    1994-08-01

    This paper gives,a brief overview of research being conducted at Argonne National Laboratory on the capture of mercury by both dry sorbents and wet scrubbers. The emphasis in the research is on development of a better understanding of the key factors that control the capture of mercury. Future work is expected to utilize that information for the development of new or modified process concepts featuring enhanced mercury capture capabilities. The results and conclusions to date from the Argonne -research on dry sorbents can be summarized as follows: lime hydrates, either regular or high-surface-area, are `not effective in removing mercury; mercury removals are enhanced by the addition of activated carbon; mercury removals with activated carbon decrease with increasing temperature, larger particle size, and decreasing mercury concentration in the gas; and chemical pretreatment (e.g., with sulfur or (CaCl{sub 2}) can greatly increase the removal capacity of activated carbon. Preliminary results from the wet scrubbing research include: no removal of elemental mercury is obtained under normal scrubber operating conditions; mercury removal is improved by the addition of packing or production of smaller gas bubbles to increase the gas-liquid contact area; polysulfide solutions do not appear promising for enhancing mercury removal in typical FGC systems; stainless steel packing appears to have beneficial properties for mercury removal and should be investigated further; and other chemical additives may offer greatly enhanced removals.

  11. Nucleosynthesis involving mainly neutron capture processes IV

    International Nuclear Information System (INIS)

    Nucleosynthesis plays a crucial role in the physics of stellar evolution. Heavy nuclei abundances in the universe provide a concrete evidence for the operation of specific nucleosynthesis processes. The slow (s-) and rapid (r-) processes are the main processes responsible for the synthesis of nuclei beyond iron. i.e. synthesis of nuclei heavier than Fe by neutron capture. In the preceding papers, (Paper I, Paper II, Paper III) we have reviewed important neutron capture processes in investigating the mechanism of stellar nucleosynthesis, i.e. various neutron producing reactions (neutron sources) during stellar nucleosynthesis in different evolving stages - main sequence stage, red giant stage, supernova stage and neutron star stage. Neutrons produced in one stage come into next stage as remnant and play an active role to begin nucleosynthesis in the next stage, and ultimately to the formation of neutron star. We have indicated various constraints and unsolved problems in each stage. With the help of advanced observational technology and numerical simulations considerable efforts have been made to resolve the unsolved problems in nuclear astrophysics in recent years. Analysis of those observed parameters may give rise to significant improvement towards understanding the physics of stellar nucleosynthesis. In the present review, we have updated our previous attempt by incorporating those significant improvements in the theory of neutron capture nucleosynthesis based upon observations, theoretical calculations and numerical simulations. (author)

  12. Deontological and utilitarian inclinations in moral decision making: a process dissociation approach.

    Science.gov (United States)

    Conway, Paul; Gawronski, Bertram

    2013-02-01

    Dual-process theories of moral judgment suggest that responses to moral dilemmas are guided by two moral principles: the principle of deontology states that the morality of an action depends on the intrinsic nature of the action (e.g., harming others is wrong regardless of its consequences); the principle of utilitarianism implies that the morality of an action is determined by its consequences (e.g., harming others is acceptable if it increases the well-being of a greater number of people). Despite the proposed independence of the moral inclinations reflecting these principles, previous work has relied on operationalizations in which stronger inclinations of one kind imply weaker inclinations of the other kind. The current research applied Jacoby's (1991) process dissociation procedure to independently quantify the strength of deontological and utilitarian inclinations within individuals. Study 1 confirmed the usefulness of process dissociation for capturing individual differences in deontological and utilitarian inclinations, revealing positive correlations of both inclinations to moral identity. Moreover, deontological inclinations were uniquely related to empathic concern, perspective-taking, and religiosity, whereas utilitarian inclinations were uniquely related to need for cognition. Study 2 demonstrated that cognitive load selectively reduced utilitarian inclinations, with deontological inclinations being unaffected. In Study 3, a manipulation designed to enhance empathy increased deontological inclinations, with utilitarian inclinations being unaffected. These findings provide evidence for the independent contributions of deontological and utilitarian inclinations to moral judgments, resolving many theoretical ambiguities implied by previous research. PMID:23276267

  13. On the dissociative electron attachment as a potential source of molecular hydrogen in irradiated liquid water

    Energy Technology Data Exchange (ETDEWEB)

    Cobut, V.; Jay-Gerin, J.-P.; Frongillo, Y. [Sherbrooke Univ., PQ (Canada). Faculte de Medecine; Patau, J.P. [Toulouse-3 Univ., 31 (France)

    1996-02-01

    In the radiolysis of liquid water, different mechanisms for the formation of molecular hydrogen (H{sub 2}) are involved at different times after the initial energy disposition. It has been suggested that the contributions of the e{sub aq}{sup -} + e{sub aq}{sup -}, H + e{sub aq}{sup -} and H + H reactions between hydrated electrons (e{sub aq}{sup -}) and hydrogen atoms in the spurs are not sufficient to account for all of the observed H{sub 2} yield (0.45 molecules/100 eV) on the microsecond time scale. Addressing the question of the origin of an unscavengeable H{sub 2} yield of 0.15 molecules/100 eV produced before spur expansion, we suggest that the dissociative capture of the so-called vibrationally-relaxing electrons by H{sub 2}O molecules is a possible pathway for the formation of part of the initial H{sub 2} yield. Comparison of recent dissociative-electron-attachment H{sup -}-anion yield-distribution measurements from amorphous H{sub 2}O films with the energy spectrum of vibrationally-relaxing electrons in irradiated liquid water, calculated by Monte Carlo simulations, plays in favor of this hypothesis. (author).

  14. Direct dissociative chemisorption of alkanes on Pt(111): Influence of molecular complexity

    International Nuclear Information System (INIS)

    The direct dissociative chemisorption of ethane, propane, n-butane, isobutane, and neopentane on Pt(111) was investigated as a function of the initial translational energy, ET, polar angle of incidence, θi, initial vibrational temperature, and surface temperature using supersonic molecular beam techniques. For each alkane, the initial probability for direct dissociative chemisorption scales with the initial normal energy of the alkanes, En=ET cos2 θi, and is independent of both the surface temperature and initial vibrational energy of the alkanes under the experimental conditions employed. Above initial normal energies of approximately 125 kJ/mol, at constant En, the dissociation probability decreases with increasing chain length of the C2-C4 linear alkanes; however, the dissociation probability of neopentane is greater than that of isobutane, and both isobutane and neopentane are more reactive than n-butane. By assuming that cleavage of primary C-H bonds is the dominant reaction pathway for all of the alkanes investigated here, the trends in reactivity are best explained by considering the differences in the steric factors for primary C-H bond cleavage for these alkanes. Secondary C-H bond cleavage does appear to contribute to the reactivity of propane and n-butane but only at the highest energies examined. Additionally, the reaction probabilities of each of these alkanes were estimated using a statistical model recently proposed by Ukrainstev and Harrison [J. Chem. Phys. 101, 1564 (1994)]. Assuming cleavage of only primary C-H bonds, the trends in reactivity for ethane, propane, n-butane, and isobutane were qualitatively reproduced by the statistical model; however, except for ethane, which was used to obtain the necessary parameters for the theory, there was poor quantitative agreement, and the predictions for neopentane were significantly lower than the measured values. The model also predicts that the dissociation probability is enhanced by increasing the

  15. Heterolytic and Homolytic N-NO Bond Dissociation Energies of N-Nitroso-benzenesulfonylmethylamines in Acetonitrile

    Institute of Scientific and Technical Information of China (English)

    HAO Wei-Fang; Tang Hui; ZHU Xiao-Qing; CHENG Jin-Pei

    2003-01-01

    @@ Great interests have been accumulated in recent years in the chemistry and biochemistry of nitric oxide (NO) since the remarkable discoveries of its key roles in a wide range of human physiological processes. To elucidate the mechanistic details of NO migration from its donor to its acceptor, it is necessary to determine the Y-NO bind energy that registers the thermodynamic driving force for NO release and capture. In this paper the heterolytic and homolytic N-NO bond dissociation energies [ i. e., △Hhet(N-NO) and △Hhomo(N-NO)] for ten N-nitroso-p-substituted-benzensulfonyl methylamines in acetonitrile are offered, which were obtained from titration calorimetry and thermodynamic cycles, respectively (Scheme 1).

  16. Evaluation of Stirling cooler system for cryogenic CO2 capture

    OpenAIRE

    Song, Chun Feng; Kitamura, Yutaka; Li, Shu Hong

    2012-01-01

    In previous research, a cryogenic system based on Stirling coolers has been developed. In this work, the novel system was applied on CO2 capture from post-combustion flue gas and different process parameters (i.e. flow rate of feed gas, temperature of Stirling cooler and operating condition) were investigated to obtain the optimal performance (CO2 recovery and energy consumption). From the extensive experiments, it was concluded that the cryogenic system could realize CO2 capture without solv...

  17. Single electron capture for K+-H2

    Science.gov (United States)

    Fuentes, B. E.; Alarcon, F. B.; Martinez, H.; Yousif, F. B.

    2013-04-01

    Absolute cross section of electron capture for the K+-H2 pair employing beam collision spectroscopy method for 0.4 to 4 keV energy were measured. Capture cross section increased with increase in energy. Present results below 2 keV overlap with previously measured data of other investigators and extend down in energy to 400 eV. Interpretation of the data (below 2 keV) was made on the frame work quasimolecular representation.

  18. Theory of nuclear excitation by electron capture for heavy ions

    OpenAIRE

    Gagyi-Palffy, Adriana

    2006-01-01

    The resonant process of nuclear excitation by electron capture (NEEC) in collisions involving highly-charged ions has been investigated theoretically. NEEC is a rare recombination process in which a free electron is captured into a bound shell of an ion with the simultaneous excitation of the nucleus. Total cross sections for NEEC followed by the radiative decay of the excited nucleus are presented for various collision systems. The possibility to observe the NEEC in scattering experiments wi...

  19. Carbon dioxide capture by means of cyclic organic nitrogen compounds

    OpenAIRE

    García Abuín, Alicia

    2012-01-01

    The research work included in present PhD Thesis involves the research studies to capture carbon dioxide using different cyclic nitrogen organic compounds (glucosamine (GA), chitosan (C), alkyl-pyrrolidones, pyrrolidine (PYR) and piperidine (PIP). This investigation is based on the study of three experimental systems. Each of them has characteristics potentially suitable to achieve the aim of this work, that is to say, to improve the carbon dioxide capture process, which is pre...

  20. Characterization and Modeling of the Collision Induced Dissociation Patterns of Deprotonated Glycosphingolipids: Cleavage of the Glycosidic Bond

    Science.gov (United States)

    Rožman, Marko

    2016-01-01

    Glycosphingolipid fragmentation behavior was investigated by combining results from analysis of a series of negative ion tandem mass spectra and molecular modeling. Fragmentation patterns extracted from 75 tandem mass spectra of mainly acidic glycosphingolipid species (gangliosides) suggest prominent cleavage of the glycosidic bonds with retention of the glycosidic oxygen atom by the species formed from the reducing end (B and Y ion formation). Dominant product ions arise from dissociation of sialic acids glycosidic bonds whereas product ions resulting from cleavage of other glycosidic bonds are less abundant. Potential energy surfaces and unimolecular reaction rates of several low-energy fragmentation pathways leading to cleavage of glycosidic bonds were estimated in order to explain observed dissociation patterns. Glycosidic bond cleavage in both neutral (unsubstituted glycosyl group) and acidic glycosphingolipids was the outcome of the charge-directed intramolecular nucleophilic substitution (SN2) mechanism. According to the suggested mechanism, the nucleophile in a form of carboxylate or oxyanion attacks the carbon at position one of the sugar ring, simultaneously breaking the glycosidic bond and yielding an epoxide. For gangliosides, unimolecular reaction rates suggest that dominant product ions related to the cleavage of sialic acid glycosidic bonds are formed via direct dissociation channels. On the other hand, low abundant product ions related to the dissociation of other glycosidic bonds are more likely to be the result of sequential dissociation. Although results from this study mainly contribute to the understanding of glycosphingolipid fragmentation chemistry, some mechanistic findings regarding cleavage of the glycosidic bond may be applicable to other glycoconjugates.

  1. Differences in trauma history and psychopathology between PTSD patients with and without co-occurring dissociative disorders

    Directory of Open Access Journals (Sweden)

    Pascal Wabnitz

    2013-11-01

    Full Text Available Background: The interplay between different types of potentially traumatizing events, posttraumatic symptoms, and the pathogenesis of PTSD or major dissociative disorders (DD has been extensively studied during the last decade. However, the phenomenology and nosological classification of posttraumatic disorders is currently under debate. The current study was conducted to investigate differences between PTSD patients with and without co-occurring major DD with regard to general psychopathology, trauma history, and trauma-specific symptoms. Methods: Twenty-four inpatients were administered the Clinician-Administered PTSD Scale for DSM-IV (CAPS and the Mini-Structured Clinical Interview for DSM-IV Dissociative Disorders (MINI-SKID-D to assess DD and PTSD. Additionally, participants completed questionnaires to assess general psychopathology and health status. Results: Symptom profiles and axis I comorbidity were similar in all patients. Traumatic experiences did not differ between the two groups, with both reporting high levels of childhood trauma. Only trauma-specific avoidance behavior and dissociative symptoms differed between groups. Conclusion: Results support the view that PTSD and DD are affiliated disorders that could be classified within the same diagnostic category. Our results accord with a typological model of dissociation in which profound forms of dissociation are specific to DD and are accompanied with higher levels of trauma-specific avoidance in DD patients.

  2. The elastic properties, generalized stacking fault energy and dissociated dislocations in MgB2 under different pressure

    KAUST Repository

    Feng, Huifang

    2013-05-31

    The 〈112̄0〉 perfect dislocation in MgB2 is suggested to dissociate into two partial dislocations in an energy favorable way 〈112̄0〉 → 1/2 〈112̄0〉 + SF + 1/2 〈112̄0〉. This dissociation style is a correction of the previous dissociation 〈1000〉 → 1/3 〈11̄00〉 SF + 1/3 〈 2100〉proposed by Zhu et al. to model the partial dislocations and stacking fault observed by transmission electron microscopy. The latter dissociation results in a maximal stacking fault energy rather than a minimal one according to the generalized stacking fault energy calculated from first-principles methods. Furthermore, the elastic constants and anisotropy of MgB2 under different pressure are investigated. The core structures and mobilities of the 〈112̄0〉 dissociated dislocations are studied within the modified Peierls-Nabarro (P-N) dislocation theory. The variational method is used to solve the modified P-N dislocation equation and the Peierls stress is also determined under different pressure. High pressure effects on elastic anisotropy, core structure and Peierls stress are also presented. © 2013 Springer Science+Business Media New York.

  3. Memories of attachment hamper EEG cortical connectivity in dissociative patients.

    Science.gov (United States)

    Farina, Benedetto; Speranza, Anna Maria; Dittoni, Serena; Gnoni, Valentina; Trentini, Cristina; Vergano, Carola Maggiora; Liotti, Giovanni; Brunetti, Riccardo; Testani, Elisa; Della Marca, Giacomo

    2014-08-01

    In this study, we evaluated cortical connectivity modifications by electroencephalography (EEG) lagged coherence analysis, in subjects with dissociative disorders and in controls, after retrieval of attachment memories. We asked thirteen patients with dissociative disorders and thirteen age- and sex-matched healthy controls to retrieve personal attachment-related autobiographical memories through adult attachment interviews (AAI). EEG was recorded in the closed eyes resting state before and after the AAI. EEG lagged coherence before and after AAI was compared in all subjects. In the control group, memories of attachment promoted a widespread increase in EEG connectivity, in particular in the high-frequency EEG bands. Compared to controls, dissociative patients did not show an increase in EEG connectivity after the AAI. Conclusions: These results shed light on the neurophysiology of the disintegrative effect of retrieval of traumatic attachment memories in dissociative patients.

  4. Frustration and fulfillment of needs in dissociative and conversion disorders.

    Science.gov (United States)

    Ishikura, Reiji; Tashiro, Nobutada

    2002-08-01

    We reviewed all patients with dissociative disorders (nine patients with dissociative amnesia or dissociative fugue) and conversion disorders (10 patients) who were admitted and treated during the past 15 years. Needs frustrated at the appearance of the symptoms and those fulfilled at discharge were studied in both groups using Maslow's hierarchy of needs. The patients of both groups who encountered troubles in their life events were found to have frustrated needs. These symptoms tended to be accompanied more often by frustrations regarding a 'need for love' in the dissociative disorders group and by frustration in the need for 'self-esteem and self-actualization' in the conversion disorders group. In addition, needs of lower orders were already threatened at onset in many patients. The symptoms disappeared in patients in whom the situation completely improved (needs were fulfilled), but the symptoms were alleviated or unchanged in those in whom the problems remained unresolved.

  5. The Reaction of Dissociative Recombination in a Strong Light Field

    International Nuclear Information System (INIS)

    The DR theory of slow electrons with molecular ions in strong monochromatic light field is developed. The potential energy curves of the oxygen molecule O2** dissociative states are calculated. Classification of all possible transitions and reaction mechanisms are presented.

  6. Proton Dissociation from Surfaces of Variable Charge Soil and Minerals

    Institute of Scientific and Technical Information of China (English)

    LUYA-HAI; HUANGCHANG-YONG; 等

    1994-01-01

    Experiments on proton dissociation from the surfaces of goethite,amorphous Al oxide.kaolinite and latosol were carried out,showing amphoteric behavior with reacions of proton dissociation-association on the surfaces and buffering capacity in such a sequence as amorphous Al oxide>latosol>kaolinite>goethite.Dissociation constants of surface proton,pKsa are significantly correlated with surface charge density,which has been proved with an elecrochemical model.The intrinsic constants of proton dissociation,Ksa(int),gained by eptrapolation to zero charge conditions of plots of pKsa against σ0,could be used to estimate the acidity strength of variable charge surfaces,The value of pKsa(int) is 8.08 for goethite,1.2 for a morphous Al oxide,6.62 for kaolinite and 5.32 for latosol.

  7. Communication: Enhanced dissociative chemisorption of CO2 via vibrational excitation

    Science.gov (United States)

    Jiang, Bin; Guo, Hua

    2016-03-01

    A fully coupled global nine-dimensional potential energy surface for the dissociative chemisorption of CO2 on Ni(100) is constructed from ˜18 000 density functional points. It reveals a complex reaction pathway dominated by two near iso-energetic transition states. The dissociation probabilities obtained by quasi-classical trajectories on the potential energy surface reproduced experimental trends, and indicate that vibrational excitations of CO2 significantly promote the dissociation. Using the sudden vector projection model, the behavior of the reactivity is rationalized by couplings with the reaction coordinate at each transition state. These results offer plausible rationalization for the observed enhancement of CO2 dissociation in non-thermal plasmas by metal surfaces.

  8. Taming microwave plasma to beat thermodynamics in CO2 dissociation

    NARCIS (Netherlands)

    van Rooij, G.; van den Bekerom, D.; N. den Harder,; Minea, T.; G. Berden,; Bongers, W.; Engeln, R.; Graswinckel, M.; Zoethout, E.; M. C. M. van de Sanden,

    2015-01-01

    The strong non-equilibrium conditions provided by the plasma phase offer the opportunity to beat traditional thermal process energy efficiencies via preferential excitation of molecular vibrations. Simple molecular physics considerations are presented to explain potential dissociation pathways in a

  9. Structural analysis of ruthenium–arene complexes using ion mobility mass spectrometry, collision-induced dissociation, and DFT

    OpenAIRE

    Cserwinska, Izabella; Far, Johann; Kune, Christopher; Larriba-Andaluz, Carlos; Delaude, Lionel; De Pauw, Edwin

    2016-01-01

    Ion mobility mass spectrometry (IM-MS) and collision-induced dissociation (CID) techniques were used to investigate the influence of the phosphine ligand on the physicochemical properties of [RuCl2(p-cymene)(PCy3)] (1), [RuCl2(p-cymene)-(PPh3)] (2), and [RuCl2(p-cymene)(PTA)] (3) in the gas phase (PTA is 1,3,5-triaza-7-phosphaadamantane). Electrospray ionization of complexes 1 and 2 led to the corresponding [RuCl(p-cymene)(PR3)]+ ions via the dissociation of a chlorido ligand, whereas RAPTA-C...

  10. A first-principles study of CO dissociative adsorption on iron nanoparticles supported on doped graphene

    Science.gov (United States)

    Kim, Sol; Jhi, Seung-Hoon

    2015-12-01

    We study Fe13 nanoparticles supported on doped graphene and investigate the dissociative adsorption of CO on the nanoparticles using first-principle calculations. It is found that boron doping enhances the binding energy of Fe13 on the graphene but nitrogen doping reduces it. We show that difference in the work-function and subsequently in the charge transfer causes such behavior in the binding energies. Calculated d-band width and d-band center are well correlated with the Fe binding energy, mostly because of the orbital hybridization effect. We also show that the dissociative adsorption of CO on the Fe-graphene substrate is strongly correlated with the d-band center, which is in turn modulated by the doping concentration.

  11. Dissociation and ionization equilibria of deuterium fluid over a wide range of temperatures and densities

    Energy Technology Data Exchange (ETDEWEB)

    Zaghloul, Mofreh R. [Department of Physics, College of Science, United Arab Emirates University, P.O. Box 15551, Al-Ain (United Arab Emirates)

    2015-06-15

    We investigate the dissociation and ionization equilibria of deuterium fluid over a wide range of temperatures and densities. The partition functions for molecular and atomic species are evaluated, in a statistical-mechanically consistent way, implementing recent developments in the literature and taking high-density effects into account. A new chemical model (free energy function) is introduced in which the fluid is considered as a mixture of diatomic molecules, atoms, ions, and free electrons. Intensive short range hard core repulsion is taken into account together with partial degeneracy of free electrons and Coulomb interactions among charged particles. Samples of computational results are presented as a set of isotherms for the degree of ionization, dissociated fraction of molecules, pressure, and specific internal energy for a wide range of densities and temperatures. Predictions from the present model calculations show an improved and sensible physical behavior compared to other results in the literature.

  12. Density function theory study of the adsorption and dissociation of carbon monoxide on tungsten nanoparticles.

    Science.gov (United States)

    Weng, Meng-Hsiung; Ju, Shin-Pon; Chen, Hsin-Tsung; Chen, Hui-Lung; Lu, Jian-Ming; Lin, Ken-Huang; Lin, Jenn-Sen; Hsieh, Jin-Yuan; Yang, Hsi-Wen

    2013-02-01

    The adsorption and dissociation properties of carbon monoxide (CO) molecule on tungsten W(n) (n = 10-15) nanoparticles have been investigated by density-functional theory (DFT) calculations. The lowest-energy structures for W(n) (n = 10-15) nanoparticles are found by the basin-hopping method and big-bang method with the modified tight-binding many-body potential. We calculated the corresponding adsorption energies, C-O bond lengths and dissociation barriers for adsorption of CO on nanoparticles. The electronic properties of CO on nanoparticles are studied by the analysis of density of state and charge density. The characteristic of CO on W(n) nanoparticles are also compared with that of W bulk.

  13. Dissociation enzyme effects on the biophysical properties of calcium current in acutely isolated rat ventricular myocytes

    Directory of Open Access Journals (Sweden)

    Julio Álvarez

    2013-04-01

    Full Text Available Proteolytic enzymes such as collagenase, trypsin and pronase E are widely used to acutely dissociate adult cardiomyocytes. There is some evidence that enzyme treatment can alter ionic channels. The aim of the present investigation was to compare the characteristics of the L-type Ca2+ current (ICaL of rat ventricular cardiomyocytes dissociated with two enzyme combinations: collagenase + trypsin (C+T and collagenase + pronase E (C+P. ICaL density (pA/pF was significantly lower (~ 2 pA/pF in myocytes isolated with the C+P combination. However, its inactivation time course was barely affected. As well, the voltage dependency of ICaL kinetics was not affected by the C+P treatment. Our results suggest that, compared to the C+T, treatment with the C+P enzyme combination could decrease the number of functional (expressed channels in the sarcolemma.

  14. Comparison of strong-field dissociation dynamics in Li 2 + and H 2 +

    Science.gov (United States)

    Armstrong, G. S. J.; Esry, B. D.

    2015-05-01

    Building on previous studies for H2+,we investigate the dissociation dynamics of Li2+in intense laser fields. As the simplest alkali dimer ion, Li2+provides a natural prototype system for study after H2+.Moreover, the more complex electronic structure of Li2+allows numerous excited electronic states to play a role in the dynamics, marking a departure from the typical two-state approach used for H2+.In this study, we solve the time-dependent Schrödinger equation in full dimensionality. We identify the dominant dissociation channels over a range of laser parameters, and compare how short-pulse carrier-envelope phase effects are manifest in each molecule. This work is supported by the Chemical Sciences, Geosciences, and Biosciences Division, Office of Basic Energy Sciences, Office of Science, U.S. Department of Energy.

  15. Dissociation of heavy quarkonium in hot QCD medium in a quasi-particle model

    CERN Document Server

    Agotiya, Vineet K; Jamal, M Yousuf; Nilima, Indrani

    2016-01-01

    Following a recent work on the effective description of the equations of state for hot QCD obtained from a Hard thermal loop expression for the gluon self-energy, in terms of the quasi-gluons and quasi- quark/anti-quarks with respective effective fugacities, the dissociation process of heavy quarkonium in hot QCD medium has been investigated. This has been done by investigating the medium modification to a heavy quark potential. The medium modified potential has a quite different form (a long range Coulomb tail in addition to the usual Yukawa term) in contrast to the usual picture of Debye screening. The flavor dependence of the binding energies of the heavy quarkonia states and the dissociation temperature have been obtained by employing the debye mass for pure gluonic and full QCD case computed employing the quasi-particle picture. Thus estimated dissociation patterns of the charmonium and bottomonium states, considering Debye mass from different approaches in pure gluonic case and full QCD, have shown good...

  16. Bioaccumulation of dissociating substances; Bioakkumulation dissoziierender Stoffe

    Energy Technology Data Exchange (ETDEWEB)

    Butte, W.; Plegge, V.; Schettgen, C.; Willenborg, R.; Zauke, G.P. [Oldenburg Univ. (Germany). Fachbereich Chemie; Kuhlmann, H. [Oldenburg Univ. (Germany). Fachbereich Chemie]|[Bundesforschungsanstalt fuer Fischerei, Ahrensburg (Germany). Inst. fuer Fischereioekologie

    2000-02-01

    Bioconcentration factors (BCF) are important parameters to assess the environmental fate of chemicals. In this report we describe the determination of BCF for Triclosan, a trichlorophenoxy phenol, for some dissociating herbicides like Dichlorprop, MCPA, Mecoprop, Triclopyr and Picloram as well as for selected pyrethroids like Cyfluthrin, Cypermethrin, Deltamethrin and Permethrin. It was shown that BCF and rate constants for the uptake of Triclosan are decreasing with an increasing pH of the test water. The BCF for the herbicides evaluated are all below 10, confirming data already reported for herbicides of similar structure. Thus, for these compounds there is no tendency to bioaccumulate. Furthermore, there was no correlation between BCF and n-octanol/water partition coefficients or dissociation constants. BCF of pyrethroids were between 860 and 2200. For the analysis of pyrenthroid metabolites a gas chromatographic method using daughter-ion mass spectrometry for detection was established. The detection limit of this method was 1 {mu}g/kg, but metabolites could not be detected in fish during the bioaccumulation experiments. The high toxicity of pyrethroids for fish was approved; LC50-values were between 1 and 5 {mu}g/l. To evaluate physiological effects in fish, produced by pyrethroids, EROD activities in preparations of trout liver were measured. No increase in activity could be detected, but there was a tendency to lower values. We think this to result from the high toxicity of pyrethroids that could have impaired this enzyme system. (orig.) [German] Biokonzentrationsfaktoren (BCF) sind wichtige Parameter, mit Hilfe derer das Umweltverhalten von Chemikalien abgeschaetzt werden kann. Im Rahmen dieses Forschungsvorhabens wurden BCF-Werte fuer Triclosan, ein Trichlorphenoxyphenol, fuer einige dissoziierende Herbizide: Dichlorprop, MCPA, Mecoprop, Triclopyr und Picloram sowie fuer ausgewaehlte Pyrethroide: Cyfluthrin, Cypermethrin, Deltamethrin und Permethrin

  17. Dissociative Identity Disorders in Korea: Two Recent Cases

    OpenAIRE

    Kim, Ilbin; Kim, Daeho; Jung, Hyun-Jin

    2016-01-01

    Although dissociative identity disorder (DID), the most severe of the dissociative disorders, has retained its own diagnostic entity since its introduction in the DSM-III, cases of DID are rarely seen in South and East Asia, likely due to the higher prevalence of possession disorder. We report two patients with DID who were recently admitted to our inpatient psychiatric unit and demonstrated distinct transitions to several identities. Their diagnoses were confirmed through a structured interv...

  18. Childhood maltreatment and intimate partner violence in dissociative disorder patients

    OpenAIRE

    Webermann, Aliya R.; Brand, Bethany L.; Chasson, Gregory S.

    2014-01-01

    Background: Childhood maltreatment (CM) is a risk factor for subsequent intimate partner violence (IPV) in adulthood, with high rates of retrospectively reported CM among IPV victims and perpetrators. A theorized mechanism of the link between CM and IPV is dissociation. Dissociation may allow perpetrators of violence to remain emotionally distant from their behavior and minimize empathy toward those they victimize, enabling them to commit acts of violence similar to their own experiences. Ind...

  19. A neuroanatomical dissociation for emotion induced by music

    OpenAIRE

    Johnsen, Erica L.; Tranel, Daniel; Lutgendorf, Susan; Adolphs, Ralph

    2009-01-01

    Does feeling an emotion require changes in autonomic responses, as William James proposed? Can feelings and autonomic responses be dissociated? Findings from cognitive neuroscience have identified brain structures that subserve feelings and autonomic response, including those induced by emotional music. In the study reported here, we explored whether feelings and autonomic responses can be dissociated by using music, a stimulus that has a strong capacity to induce emotional experiences. We te...

  20. Dissociation in Hysteria and Hypnosis: Evidence from Cognitive Neuroscience

    OpenAIRE

    Bell, Vaughan; Oakley, David A; Halligan, Peter W; Deeley, Quinton

    2010-01-01

    Abstract Jean-Martin Charcot proposed the radical hypothesis that similar brain processes were responsible for the unexplained neurological symptoms of 'hysteria', now typically diagnosed as 'conversion disorder' or 'dissociative (conversion) disorder', and the temporary effects of hypnosis. While this idea has been largely ignored, recent cognitive neuroscience studies indicate that (i) hypnotisability traits are associated with a tendency to develop dissociative symptoms in the s...

  1. [Persistent Perpetrator Contact in a Patient with Dissociative Identity Disorder].

    Science.gov (United States)

    Tschöke, Stefan; Eisele, Frank; Steinert, Tilman

    2016-05-01

    The case of a young woman with still ongoing incest and forced prostitution is presented. The criteria for a dissociative identity disorder (DID) were met. Due to persistent contact to the perpetrator she was repeatedly revictimized. Based on the model of trauma-related dissociation we discuss to what extent she was capable of self-determined decision making as well as therapeutic consequences resulting therefrom. PMID:26556682

  2. Optical observations of molecular dissociation in thin foils

    International Nuclear Information System (INIS)

    We have measured the intensity and polarizations of light emitted from atomic excited states of dissociated molecular ions. Using HeH+ projectiles, we have observed factors of 1 to 5 enhancements of the light from n=3, 13P,D states of He I and some He II and H I emissions. Observations of Lyman-α emission after dissociation of H2+ and H3+ show rapid variations in light yield for small internuclear separations at the foil surface

  3. Acid dissociation mechanisms of Si(OH)(4) and Al(H2O)(6)(3+) in aqueous solution

    NARCIS (Netherlands)

    X. Liu; X. Lu; E.J. Meijer; R. Wang; H. Zhou

    2010-01-01

    Silicic acid and the hexa-aqua of Al3+ are fundamental model aqueous species of chemical importance in nature. In order to investigate their hydroxyl dissociation mechanisms, Car-Parrinello molecular dynamics (CPMD) simulations were carried out, which allow treating the solutes and solvents on the s

  4. Dissociative experiences in bipolar disorder II: Are they related to childhood trauma and obsessive-compulsive symptoms?

    OpenAIRE

    Gul Eryilmaz; Sermin Kesebir; Işil Göğcegöz Gül; Eylem Özten; Kayihan Oğuz Karamustafalioğlu

    2015-01-01

    Objective The aim of this study is to investigate the presence of dissociative symptoms and whether they are related to childhood trauma and obsessive-compulsive symptoms in bipolar disorder type II (BD-II). Methods Thirty-three euthymic patients (HDRS

  5. Production of CO /a 3Pi/ and other metastable fragments by electron impact dissociation of CO2.

    Science.gov (United States)

    Wells, W. C.; Borst, W. L.; Zipf, E. C.

    1972-01-01

    The dissociative excitation of CO (a 3Pi) and other metastable fragments produced by electron impact on CO2 has been investigated from threshold to 50 eV. The observed threshold for CO (a 3Pi) production at 11.9 (plus or minus 0.5) eV was near the minimum required energy of 11.5 eV.

  6. Child Maltreatment, Subsequent Non-Suicidal Self-Injury and the Mediating Roles of Dissociation, Alexithymia and Self-Blame

    Science.gov (United States)

    Swannell, Sarah; Martin, Graham; Page, Andrew; Hasking, Penelope; Hazell, Philip; Taylor, Anne; Protani, Melinda

    2012-01-01

    Objective: Although child maltreatment is associated with later non-suicidal self-injury (NSSI), the mechanism through which it might lead to NSSI is not well understood. The current retrospective case-control study examined associations between child maltreatment and later NSSI, and investigated the mediating roles of dissociation, alexithymia,…

  7. Electromagnetic Dissociation and Spacecraft Electronics Damage

    Science.gov (United States)

    Norbury, John W.

    2016-01-01

    When protons or heavy ions from galactic cosmic rays (GCR) or solar particle events (SPE) interact with target nuclei in spacecraft, there can be two different types of interactions. The more familiar strong nuclear interaction often dominates and is responsible for nuclear fragmentation in either the GCR or SPE projectile nucleus or the spacecraft target nucleus. (Of course, the proton does not break up, except possibly to produce pions or other hadrons.) The less familiar, second type of interaction is due to the very strong electromagnetic fields that exist when two charged nuclei pass very close to each other. This process is called electromagnetic dissociation (EMD) and primarily results in the emission of neutrons, protons and light ions (isotopes of hydrogen and helium). The cross section for particle production is approximately defined as the number of particles produced in nucleus-nucleus collisions or other types of reactions. (There are various kinematic and other factors which multiply the particle number to arrive at the cross section.) Strong, nuclear interactions usually dominate the nuclear reactions of most interest that occur between GCR and target nuclei. However, for heavy nuclei (near Fe and beyond) at high energy the EMD cross section can be much larger than the strong nuclear interaction cross section. This paper poses a question: Are there projectile or target nuclei combinations in the interaction of GCR or SPE where the EMD reaction cross section plays a dominant role? If the answer is affirmative, then EMD mechanisms should be an integral part of codes that are used to predict damage to spacecraft electronics. The question can become more fine-tuned and one can ask about total reaction cross sections as compared to double differential cross sections. These issues will be addressed in the present paper.

  8. Subacute transverse myelitis with Lyme profile dissociation

    Directory of Open Access Journals (Sweden)

    Ajjan, Mohammed

    2008-06-01

    Full Text Available Introduction: Transverse myelitis is a very rare neurologic syndrome with an incidence per year of 1-5 per million population. We are presenting an interesting case of subacute transverse myelitis with its MRI (magnetic resonance imaging and CSF (cerebrospinal fluid findings. Case: A 46-year-old African-American woman presented with decreased sensation in the lower extremities which started three weeks ago when she had a 36-hour episode of sore throat. She reported numbness up to the level just below the breasts. Lyme disease antibodies total IgG (immunoglobulin G and IgM (immunoglobulin M in the blood was positive. Antinuclear antibody profile was within normal limits. MRI of the cervical spine showed swelling in the lower cervical cord with contrast enhancement. Cerebrospinal fluid was clear with negative Borrelia Burgdorferi IgG and IgM. Herpes simplex, mycoplasma, coxiella, anaplasma, cryptococcus and hepatitis B were all negative. No oligoclonal bands were detected. Quick improvement ensued after she was given IV Ceftriaxone for 7 days. The patient was discharged on the 8th day in stable condition. She continued on doxycycline for 21 days. Conclusions: Transverse myelitis should be included in the differential diagnosis of any patient presenting with acute or subacute myelopathy in association with localized contrast enhancement in the spinal cord especially if flu-like prodromal symptoms were reported. Lyme disease serology is indicated in patients with neurological symptoms keeping in mind that dissociation in Lyme antibody titers between the blood and the CSF is possible.

  9. Dissociable Learning Processes Underlie Human Pain Conditioning.

    Science.gov (United States)

    Zhang, Suyi; Mano, Hiroaki; Ganesh, Gowrishankar; Robbins, Trevor; Seymour, Ben

    2016-01-11

    Pavlovian conditioning underlies many aspects of pain behavior, including fear and threat detection [1], escape and avoidance learning [2], and endogenous analgesia [3]. Although a central role for the amygdala is well established [4], both human and animal studies implicate other brain regions in learning, notably ventral striatum and cerebellum [5]. It remains unclear whether these regions make different contributions to a single aversive learning process or represent independent learning mechanisms that interact to generate the expression of pain-related behavior. We designed a human parallel aversive conditioning paradigm in which different Pavlovian visual cues probabilistically predicted thermal pain primarily to either the left or right arm and studied the acquisition of conditioned Pavlovian responses using combined physiological recordings and fMRI. Using computational modeling based on reinforcement learning theory, we found that conditioning involves two distinct types of learning process. First, a non-specific "preparatory" system learns aversive facial expressions and autonomic responses such as skin conductance. The associated learning signals-the learned associability and prediction error-were correlated with fMRI brain responses in amygdala-striatal regions, corresponding to the classic aversive (fear) learning circuit. Second, a specific lateralized system learns "consummatory" limb-withdrawal responses, detectable with electromyography of the arm to which pain is predicted. Its related learned associability was correlated with responses in ipsilateral cerebellar cortex, suggesting a novel computational role for the cerebellum in pain. In conclusion, our results show that the overall phenotype of conditioned pain behavior depends on two dissociable reinforcement learning circuits. PMID:26711494

  10. Dissociable Learning Processes Underlie Human Pain Conditioning.

    Science.gov (United States)

    Zhang, Suyi; Mano, Hiroaki; Ganesh, Gowrishankar; Robbins, Trevor; Seymour, Ben

    2016-01-11

    Pavlovian conditioning underlies many aspects of pain behavior, including fear and threat detection [1], escape and avoidance learning [2], and endogenous analgesia [3]. Although a central role for the amygdala is well established [4], both human and animal studies implicate other brain regions in learning, notably ventral striatum and cerebellum [5]. It remains unclear whether these regions make different contributions to a single aversive learning process or represent independent learning mechanisms that interact to generate the expression of pain-related behavior. We designed a human parallel aversive conditioning paradigm in which different Pavlovian visual cues probabilistically predicted thermal pain primarily to either the left or right arm and studied the acquisition of conditioned Pavlovian responses using combined physiological recordings and fMRI. Using computational modeling based on reinforcement learning theory, we found that conditioning involves two distinct types of learning process. First, a non-specific "preparatory" system learns aversive facial expressions and autonomic responses such as skin conductance. The associated learning signals-the learned associability and prediction error-were correlated with fMRI brain responses in amygdala-striatal regions, corresponding to the classic aversive (fear) learning circuit. Second, a specific lateralized system learns "consummatory" limb-withdrawal responses, detectable with electromyography of the arm to which pain is predicted. Its related learned associability was correlated with responses in ipsilateral cerebellar cortex, suggesting a novel computational role for the cerebellum in pain. In conclusion, our results show that the overall phenotype of conditioned pain behavior depends on two dissociable reinforcement learning circuits.

  11. Recent advances in neutron capture therapy (NCT)

    Energy Technology Data Exchange (ETDEWEB)

    Fairchild, R.G.

    1985-01-01

    The application of the /sup 10/B(n,..cap alpha..)/sup 7/Li reaction to cancer radiotherapy (Neutron Capture therapy, or NCT) has intrigued investigators since the discovery of the neutron. This paper briefly summarizes data describing recently developed boronated compounds with evident tumor specificity and extended biological half-lives. The implication of these compounds to NCT is evaluated in terms of Therapeutic Gain (TG). The optimization of NCT using band-pass filtered beams is described, again in terms of TG, and irradiation times with these less intense beams are estimated. 24 refs., 3 figs., 3 tabs.

  12. Dissociation Energies of Sulfur-Centered Hydrogen-Bonded Complexes.

    Science.gov (United States)

    Ghosh, Sanat; Bhattacharyya, Surjendu; Wategaonkar, Sanjay

    2015-11-01

    In this work we have determined dissociation energies of O-H···S hydrogen bond in the H2S complexes of various phenol derivatives using 2-color-2-photon photofragmentation spectroscopy in combination with zero kinetic energy photoelectron (ZEKE-PE) spectroscopy. This is the first report of direct determination of dissociation energy of O-H···S hydrogen bond. The ZEKE-PE spectra of the complexes revealed a long progression in the intermolecular stretching mode with significant anharmonicity. Using the anharmonicity information and experimentally determined dissociation energy, we also validated Birge-Sponer (B-S) extrapolation method, which is an approximate method to estimate dissociation energy. Experimentally determined dissociation energies were compared with a variety of ab initio calculations. One of the important findings is that ωB97X-D functional, which is a dispersion corrected DFT functional, was able to predict the dissociation energies in both the cationic as well as the ground electronic state very well for almost every case.

  13. Ion mobility-mass spectrometry reveals the influence of subunit packing and charge on the dissociation of multiprotein complexes.

    Science.gov (United States)

    Boeri Erba, Elisabetta; Ruotolo, Brandon T; Barsky, Daniel; Robinson, Carol V

    2010-12-01

    The composition, stoichiometry, and organization of protein complexes can be determined by collision-induced dissociation (CID) coupled to tandem mass spectrometry (MS/MS). The increased use of this approach in structural biology prompts a better understanding of the dissociation mechanism(s). Here we report a detailed investigation of the CID of two dodecameric, heat-stable and toroidally shaped complexes: heat shock protein 16.9 (HSP16.9) and stable protein 1 (SP-1). While HSP16.9 dissociates by sequential loss of unfolded monomers, SP-1 ejects not only monomers, but also its building blocks (dimers), and multiples thereof (tetramers and hexamers). Unexpectedly, the dissociation of SP-1 is strongly charge-dependent: loss of the building blocks increases with higher charge states of this complex. By combining MS/MS with ion mobility (IM-MS/MS), we have monitored the unfolding and dissociation events for these complexes in the gas phase. For HSP16.9 unfolding occurs at lower energies than the ejection of subunits, whereas for SP-1 unfolding and dissociation take place simultaneously. We consider these results in the light of the structural organization of HSP16.9 and SP-1 and hypothesize that SP-1 is unable to unfold extensively due to its particular quaternary structure and unusually high charge density. This investigation increases our understanding of the factors governing the CID of protein complexes and moves us closer to the goal of obtaining structural information on subunit interactions and packing from gas-phase experiments. PMID:21053918

  14. Dissociative versus molecular adsorption of phenol on Si(100)2×1 : A first-principles calculation

    Science.gov (United States)

    Carbone, Marilena; Meloni, Simone; Caminiti, Ruggero

    2007-08-01

    We investigated the competitive adsorption of a bifunctional molecule, phenol, on Si(100)2×1 by ab initio calculations. We performed geometry optimizations of phenol adsorbed either molecularly or dissociatively, on five possible sites (top, bridge, valley bridge, cave, and pedestal), in the low coverage regime. We found that the dissociative adsorption of phenol on top of a silicon dimer is the most favorable adsorption configuration. In the group of dissociative adsorption the phenol initially placed on the bridge or the valley-bridge sites ends up as a toplike local minima. The pedestal and cave sites remain as low-adsorption energy “open” sites. In the group of molecular adsorption, a higher adsorption energy is associated to the adsorption through an addition reaction and loss of the aromatic character (bridge, valley-bridge, and pedestal sites). Standard butterfly or diagonal butterfly are the corresponding optimized geometries. Retention of aromatic character and lower adsorption energy are associated to the adsorption on the top and cave sites. The ordering of adsorption sites according to the adsorption energy shows a mixture of the dissociative and the molecular sites. In the case of adsorption on the top site, the adsorption energies after a rotation of the phenoxy fragment along the bonding axis and hydrogen migration on the surface are very similar. The bend of the phenoxy fragment on the surface, instead, is not favored (the adsorption energy is 1.004eV lower compared to the vertical position). Different electron density maps were calculated for different adsorption sites and modes. Finally, we investigated the possibility that molecularly adsorbed phenol behaves as a precursor for the dissociative one by nudged elastic band calculations. We found a barrier of the same order of magnitude of the thermodynamic energy at room temperature for the conversion of the valley-bridge molecular into the top dissociative site.

  15. Dissociable spatial and temporal effects of inhibition of return.

    Directory of Open Access Journals (Sweden)

    Zhiguo Wang

    Full Text Available Inhibition of return (IOR refers to the relative suppression of processing at locations that have recently been attended. It is frequently explored using a spatial cueing paradigm and is characterized by slower responses to cued than to uncued locations. The current study investigates the impact of IOR on overt visual orienting involving saccadic eye movements. Using a spatial cueing paradigm, our experiments have demonstrated that at a cue-target onset asynchrony (CTOA of 400 ms saccades to the vicinity of cued locations are not only delayed (temporal cost but also biased away (spatial effect. Both of these effects are basically no longer present at a CTOA of 1200 ms. At a shorter 200 ms CTOA, the spatial effect becomes stronger while the temporal cost is replaced by a temporal benefit. These findings suggest that IOR has a spatial effect that is dissociable from its temporal effect. Simulations using a neural field model of the superior colliculus (SC revealed that a theory relying on short-term depression (STD of the input pathway can explain most, but not all, temporal and spatial effects of IOR.

  16. Revisiting the dissociation between singing and speaking in expressive aphasia.

    Science.gov (United States)

    Hébert, Sylvie; Racette, Amélie; Gagnon, Lise; Peretz, Isabelle

    2003-08-01

    We investigated the production of sung and spoken utterances in a non-fluent patient, C.C., who had a severe expressive aphasia following a right-hemisphere stroke, but whose language comprehension and memory were relatively preserved. In experiment 1, C.C. repeated familiar song excerpts under four different conditions: spoken lyrics, sung lyrics on original melody, lyrics sung on new but familiar melody and melody sung to a neutral syllable "la". In experiment 2, C.C. repeated novel song excerpts under three different conditions: spoken lyrics, sung lyrics and sung-to-la melody. The mean number of words produced under the spoken and sung conditions did not differ significantly in either experiment. The mean number of notes produced was not different either in the sung-to-la and sung conditions, but was higher than the words produced, hence showing a dissociation between C.C.'s musical and verbal productions. Therefore, our findings do not support the claim that singing helps word production in non-fluent aphasic patients. Rather, they are consistent with the idea that verbal production, be it sung or spoken, result from the operation of same mechanisms.

  17. Dissociation between source and item memory in Parkinson's disease

    Institute of Scientific and Technical Information of China (English)

    Hu Panpan; Li Youhai; Ma Huijuan; Xi Chunhua; Chen Xianwen; Wang Kai

    2014-01-01

    Background Episodic memory includes information about item memory and source memory.Many researches support the hypothesis that these two memory systems are implemented by different brain structures.The aim of this study was to investigate the characteristics of item memory and source memory processing in patients with Parkinson's disease (PD),and to further verify the hypothesis of dual-process model of source and item memory.Methods We established a neuropsychological battery to measure the performance of item memory and source memory.Totally 35 PD individuals and 35 matched healthy controls (HC) were administrated with the battery.Item memory task consists of the learning and recognition of high-frequency national Chinese characters; source memory task consists of the learning and recognition of three modes (character,picture,and image) of objects.Results Compared with the controls,the idiopathic PD patients have been impaired source memory (PD vs.HC:0.65±0.06 vs.0.72±0.09,P=0.001),but not impaired in item memory (PD vs.HC:0.65±0.07 vs.0.67±0.08,P=0.240).Conclusions The present experiment provides evidence for dissociation between item and source memory in PD patients,thereby strengthening the claim that the item or source memory rely on different brain structures.PD patients show poor source memory,in which dopamine plays a critical role.

  18. Earth--Mars Transfers with Ballistic Capture

    OpenAIRE

    Topputo, Francesco; Belbruno, Edward

    2014-01-01

    We construct a new type of transfer from the Earth to Mars, which ends in ballistic capture. This results in a substantial savings in capture $\\Delta v$ from that of a classical Hohmann transfer under certain conditions. This is accomplished by first becoming captured at Mars, very distant from the planet, and then from there, following a ballistic capture transfer to a desired altitude within a ballistic capture set. This is achieved by manipulating the stable sets, or sets of initial condit...

  19. Development of Ocean Bottom Multi-component Seismic System for Methane Hydrate Dissociation Monitoring

    Science.gov (United States)

    Takahashi, H.; Asakawa, E.; Hayashi, T.; Inamori, T.; Saeki, T.

    2011-12-01

    A 2D multi-component seismic survey was carried out in the Nankai Trough using the RSCS (Real-time Seismic Cable System) system in 2006. The RSCS is the newly developed ocean bottom cable system which is usable in more than 2000m water depth. The results of the PP and data PS components gave us much information of the methane hydrates bearing zone. Based on RSCS technology, we are developing a new monitoring system using multi-component seismic sensors to delineate the methane hydrate dissociation zone for the offshore methane hydrate production test scheduled in FY2012. Conventional RSCS is composed of three component gimbaled geophones which require a large volume inside the receiver. We will adopt accelerometers to achieve a small receiver that is 2/3 the size of conventional RSCS. The accelerometer data can be corrected into horizontal or vertical directions based on the gravity acceleration. The receiver case has a protective metallic exterior and the cable is protected with steel-screened armoring, allowing for burial usage using ROV for sub-seabed deployment. It will realize a unique survey style that leaves the system on the seabed between pre-test baseline survey and post-test repeated survey, which might be up to 6 months. The fixed location of the receiver is very important for time-lapse monitoring survey. We name the new system as DSS (Deep-sea Seismic System). A feasibility study to detect the methane hydrate dissociation with the DSS was carried out and we found that the methane hydrate dissociation could be detected with the DSS depending on the area of the dissociation. The first experiment of the DSS performance test in a marine area is planned in November 2011. The main features of DSS are described as follows: (1) Deep-sea /Ultra Deep-sea Operation Methane hydrate exists in equilibrium temperature and pressure holds at water depths greater than 500m. The system water depth resistance target up to 2000m. The receiver case has a protective

  20. Numerical and experimental study of dissociation in an air-water single-bubble sonoluminescence system.

    Science.gov (United States)

    Puente, Gabriela F; Urteaga, Raúl; Bonetto, Fabián J

    2005-10-01

    model obtains from first principles the result that in sonoluminescence the bubble is practically 100% argon for air dissolved in water. Therefore, the dissociation reactions in air bubbles must be taken into account for quantitative computations of maximum temperatures. The agreement found between the numerical and experimental data is very good in the whole parameter space explored. We do not fit any parameter in the model. We believe that we capture all the relevant physics with the model.