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Sample records for capture dissociation investigated

  1. Gas-phase structure of amyloid-β (12-28) peptide investigated by infrared spectroscopy, electron capture dissociation and ion mobility mass spectrometry.

    Science.gov (United States)

    Le, Thi Nga; Poully, Jean Christophe; Lecomte, Frédéric; Nieuwjaer, Nicolas; Manil, Bruno; Desfrançois, Charles; Chirot, Fabien; Lemoine, Jerome; Dugourd, Philippe; van der Rest, Guillaume; Grégoire, Gilles

    2013-12-01

    The gas-phase structures of doubly and triply protonated Amyloid-β12-28 peptides have been investigated through the combination of ion mobility (IM), electron capture dissociation (ECD) mass spectrometry, and infrared multi-photon dissociation (IRMPD) spectroscopy together with theoretical modeling. Replica-exchange molecular dynamics simulations were conducted to explore the conformational space of these protonated peptides, from which several classes of structures were found. Among the low-lying conformers, those with predicted diffusion cross-sections consistent with the ion mobility experiment were further selected and their IR spectra simulated using a hybrid quantum mechanical/semiempirical method at the ONIOM DFT/B3LYP/6-31 g(d)/AM1 level. In ECD mass spectrometry, the c/z product ion abundance (PIA) has been analyzed for the two charge states and revealed drastic differences. For the doubly protonated species, N - Cα bond cleavage occurs only on the N and C terminal parts, while a periodic distribution of PIA is clearly observed for the triply charged peptides. These PIA distributions have been rationalized by comparison with the inverse of the distances from the protonated sites to the carbonyl oxygens for the conformations suggested from IR and IM experiments. Structural assignment for the amyloid peptide is then made possible by the combination of these three experimental techniques that provide complementary information on the possible secondary structure adopted by peptides. Although globular conformations are favored for the doubly protonated peptide, incrementing the charge state leads to a conformational transition towards extended structures with 310- and α-helix motifs.

  2. Investigation of the Mechanism of Electron Capture and Electron Transfer Dissociation of Peptides with a Covalently Attached Free Radical Hydrogen Atom Scavenger.

    Science.gov (United States)

    Sohn, Chang Ho; Yin, Sheng; Peng, Ivory; Loo, Joseph A; Beauchamp, J L

    2015-11-15

    The mechanisms of electron capture and electron transfer dissociation (ECD and ETD) are investigated by covalently attaching a free-radical hydrogen atom scavenger to a peptide. The 2,2,6,6-tetramethylpiperidin-l-oxyl (TEMPO) radical was chosen as the scavenger due to its high hydrogen atom affinity (ca. 280 kJ/mol) and low electron affinity (ca. 0.45 ev), and was derivatized to the model peptide, FQX(TEMPO)EEQQQTEDELQDK. The X(TEMPO) residue represents a cysteinyl residue derivatized with an acetamido-TEMPO group. The acetamide group without TEMPO was also examined as a control. The gas phase proton affinity (882 kJ/mol) of TEMPO is similar to backbone amide carbonyls (889 kJ/mol), minimizing perturbation to internal solvation and sites of protonation of the derivatized peptides. Collision induced dissociation (CID) of the TEMPO tagged peptide dication generated stable odd-electron b and y type ions without indication of any TEMPO radical induced fragmentation initiated by hydrogen abstraction. The type and abundance of fragment ions observed in the CID spectra of the TEMPO and acetamide tagged peptides are very similar. However, ECD of the TEMPO labeled peptide dication yielded no backbone cleavage. We propose that a labile hydrogen atom in the charge reduced radical ions is scavenged by the TEMPO radical moiety, resulting in inhibition of N-Cα backbone cleavage processes. Supplemental activation after electron attachment (ETcaD) and CID of the charge-reduced precursor ion generated by electron transfer of the TEMPO tagged peptide dication produced a series of b + H (b(H)) and y + H (y(H)) ions along with some c ions having suppressed intensities, consistent with stable O-H bond formation at the TEMPO group. In summary, the results indicate that ECD and ETD backbone cleavage processes are inhibited by scavenging of a labile hydrogen atom by the localized TEMPO radical moiety. This observation supports the conjecture that ECD and ETD processes involve long

  3. 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 well as specific complexes of modified glycopeptide antibiotics with their target peptide. The weak nature of bonding is substantiated by blackbody infrared dissociation, low-energy collisional excitation and force-field simulations. The results are consistent with a non-ergodic ECD cleavage mechanism....

  4. Dissociative electron capture by. pi. -allyliron tricarbonyl halide molecules

    Energy Technology Data Exchange (ETDEWEB)

    Nekrasov, Y.S.; Avakyan, N.P.; Khvostenko, V.I.; Kritskaya, I.I.; Maurodiev, V.K.; Mazunov, V.A.

    1985-12-20

    Result are given for a study of dissociative electron impact by complexes (I)-(III), C/sub 3/H/sub 5/Fe (CO)/sub 3/ /SUP X/ , where X - C1 (I), Br (II), and of -allyliron tricarbonyl halides upon dissociative electron capture. The mechanisms for the formation of C/sub 3/H/sub 5/Fe (CO)/sup -//sub 3/ anions in the gas phase and under electrochemical reduction conditions on a dropping mercury electrode were shown to differ. A predominant effect was proposed for solvation factors on the electrochemical reduction in the condensed phase.

  5. Electron capture dissociation of singly and multiply phosphorylated peptides

    DEFF Research Database (Denmark)

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

    2000-01-01

    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...... 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......(III)-affinity chromatography combined with nano-electrospray FTMS/ECD facilitated phosphopeptide analysis and amino acid sequencing from crude proteolytic peptide mixtures....

  6. 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

    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...... ECD using peptides with a unique selective deuterium incorporation. Our results show that only limited amide hydrogen migration occurs upon ECD, provided that vibrational excitation prior to the electron capture event is minimized. Peptide ions that are excessively vibrationally excited...

  7. 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...

  8. 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...

  9. Dissociating Goal-Directed and Stimulus-Driven Determinants in Attentional Capture

    Directory of Open Access Journals (Sweden)

    Louis K. H. Chan

    2011-05-01

    Full Text Available Although attentional capture is now a commonplace finding, the exact roles played by goal-directed and stimulus-driven determents remain elusive. An unsettled issue is on the relative contribution of attentional set and visual saliency. In the present study, we investigated this issue by mixing color and orientation search trials, so that distractors of either feature dimension fell into the current attentional set. In our test, color features were more salient. As a result, in orientation search, whereas a color distractor produced huge capture (109 ms, an orientation distractor produced moderate capture (50 ms. With color targets, distractors were not interfering. On one hand, these results reflect that relative salience of the target and the distractor is critical for producing capture; on the other hand, a huge capture size associated with a nontarget dimension feature is novel. Similar previous measurements, but without matching the attentional set, consistently report attentional capture of only 20-30 ms. This comparison shows the role played by attentional set. Taken together, we suggest that visual saliency determines search order, and sets the platform for capture. However, attentional dwell time on the distractor is determined by how much it matches the current attentional set, and in turn explains the capture size.

  10. Evidence for a dissociation between the control of oculomotor capture and disengagement.

    Science.gov (United States)

    Born, Sabine; Kerzel, Dirk; Theeuwes, Jan

    2011-02-01

    The current study investigated whether capture of the eyes by a salient onset distractor and the disengagement of the eyes from that distractor are driven by the same or by different underlying control modes. A variant of the classic oculomotor capture task was used. Observers had to make a saccade to the only gray circle among red background circles. On some trials, a green (novel color), red (placeholder color) or gray (target color) distractor square was presented with sudden onset. Results showed that when participants reacted fast, oculomotor capture was primarily driven by bottom-up pop-out: both types of distractors (green and gray) that popped out among the red background elements showed more capture than a red distractor that did not pop-out. In contrast to initial capture, disengagement of the eyes from the distractor was driven by top-down target-distractor similarity effects. We also examined the time-course of this effect. The distractor could change from green to either the target or placeholder color. When the color change was early in time (30-40 ms after its onset), dwell times were strongly affected by the change, whereas the effect on oculomotor capture was weak. Importantly, a change occurring as early as 60-80 ms after distractor onset did neither affect capture nor dwell times, corroborating the assumption of parallel programming of saccades.

  11. Effect of structural parameters on the electron capture dissociation and collision-induced dissociation pathways of copper(II)-peptide complexes.

    Science.gov (United States)

    Chen, Xiangfeng; Wang, Ze; Li, Wan; Wong, Y L Elaine; Chan, T-W Dominic

    2015-01-01

    The gas-phase dissociation pathways of proteins/peptides are usually affected by the nature of the charge carrier and the sequence of amino acid residues. The effects of peptide structural parameters, including peptide composition, chain length and amide hydrogen, on the gas-phase dissociation of Cu(II)-model peptide complexes were explored in this study. Polyglycine peptides with flexible frames were used as probes to reduce the complexity of the system and illustrate the mechanism. Results revealed that the types of fragment ions generated in the electron capture dissociation (ECD) of Cu(II)-adducted peptides changed according to the basic amino acid residue composition. Charged or neutral tryptophan side-chain losses were observed in the collision-induced dissociation (CID) of Cu(II)-peptide complexes. Internal electron transfer between tryptophan and metal ion within the complex occurred during the CID reaction, leaving the charge-reduced Cu(+) as a closed d-shell stable electron configuration. The choice of the reaction channel was then determined by the gas-phase basicity of the peptide. Amide hydrogen was critical in the formation of metalated b-/y-ions in the ECD process as determined through mutation of the backbone amide group. Increasing the chain length suppressed the ECD of Cu-metalated peptide species. Our results indicate that the structural parameters of peptides play important roles in the gas-phase dissociation processes of Cu-peptide complexes.

  12. Comparison of peptide mass mapping and electron capture dissociation as assays for histone posttranslational modifications

    Science.gov (United States)

    Zhang, Liwen; Freitas, Michael A.

    2004-05-01

    Posttranslational modifications of core histones play a critical role in the structure of chromatin and the regulation of gene activities. Improved techniques for determining these modification sites may lead to a better understanding of histone regulation at the molecular level. LC-MS peptide mass mapping was performed on pepsin, trypsin and Glu-C digests of bovine thymus H4 using a QqTOF instrument. The well established modification sites of H4 (acetylation of K8, 12, 16 and methylation of K20) were observed in addition to several recently discovered modifications including: methylation of K31, 44, 59 and acetylation of K20, 77, 79. For comparison, electron capture dissociation (ECD) was performed on intact H4 along with several peptides from enzymatic digestion. The results from the ECD experiments of histone H4 indicated the acetylation of K5, 12, 16, 31, 91 and the methylation of K20 and 59 in good agreement with the result from peptide mapping. The work is dedicated to Alan G. Marshall on his 60th birthday. His endeavors in the advancement of FT-ICR facilitated experiments reported herein.

  13. Probing the Gaseous Structure of a β-Hairpin Peptide with H/D Exchange and Electron Capture Dissociation

    Science.gov (United States)

    Straus, Rita N.; Jockusch, Rebecca A.

    2017-02-01

    An improved understanding of the extent to which native protein structure is retained upon transfer to the gas phase promises to enhance biological mass spectrometry, potentially streamlining workflows and providing fundamental insights into hydration effects. Here, we investigate the gaseous conformation of a model β-hairpin peptide using gas-phase hydrogen-deuterium (H/D) exchange with subsequent electron capture dissociation (ECD). Global gas-phase H/D exchange levels, and residue-specific exchange levels derived from ECD data, are compared among the wild type 16-residue peptide GB1p and several variants. High protection from H/D exchange observed for GB1p, but not for a truncated version, is consistent with the retention of secondary structure of GB1p in the gas phase or its refolding into some other compact structure. Four alanine mutants that destabilize the hairpin in solution show levels of protection similar to that of GB1p, suggesting collapse or (re)folding of these peptides upon transfer to the gas phase. These results offer a starting point from which to understand how a key secondary structural element, the β-hairpin, is affected by transfer to the gas phase. This work also demonstrates the utility of a much-needed addition to the tool set that is currently available for the investigation of the gaseous conformation of biomolecules, which can be employed in the future to better characterize gaseous proteins and protein complexes.

  14. Probing the Gaseous Structure of a β-Hairpin Peptide with H/D Exchange and Electron Capture Dissociation

    Science.gov (United States)

    Straus, Rita N.; Jockusch, Rebecca A.

    2016-12-01

    An improved understanding of the extent to which native protein structure is retained upon transfer to the gas phase promises to enhance biological mass spectrometry, potentially streamlining workflows and providing fundamental insights into hydration effects. Here, we investigate the gaseous conformation of a model β-hairpin peptide using gas-phase hydrogen-deuterium (H/D) exchange with subsequent electron capture dissociation (ECD). Global gas-phase H/D exchange levels, and residue-specific exchange levels derived from ECD data, are compared among the wild type 16-residue peptide GB1p and several variants. High protection from H/D exchange observed for GB1p, but not for a truncated version, is consistent with the retention of secondary structure of GB1p in the gas phase or its refolding into some other compact structure. Four alanine mutants that destabilize the hairpin in solution show levels of protection similar to that of GB1p, suggesting collapse or (re)folding of these peptides upon transfer to the gas phase. These results offer a starting point from which to understand how a key secondary structural element, the β-hairpin, is affected by transfer to the gas phase. This work also demonstrates the utility of a much-needed addition to the tool set that is currently available for the investigation of the gaseous conformation of biomolecules, which can be employed in the future to better characterize gaseous proteins and protein complexes.

  15. 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.

  16. A review of electron-capture and electron-transfer dissociation tandem mass spectrometry in polymer chemistry.

    Science.gov (United States)

    Hart-Smith, Gene

    2014-01-15

    Mass spectrometry (MS)-based studies of synthetic polymers often characterise detected polymer components using mass data alone. However when mass-based characterisations are ambiguous, tandem MS (MS/MS) offers a means by which additional analytical information may be collected. This review provides a synopsis of two particularly promising methods of dissociating polymer ions during MS/MS: electron-capture and electron-transfer dissociation (ECD and ETD, respectively). The article opens with a summary of the basic characteristics and operating principles of ECD and ETD, and relates these techniques to other methods of dissociating gas-phase ions, such as collision-induced dissociation (CID). Insights into ECD- and ETD-based MS/MS, gained from studies into proteins and peptides, are then discussed in relation to polymer chemistry. Finally, ECD- and ETD-based studies into various classes of polymer are summarised; for each polymer class, ECD- and ETD-derived data are compared to CID-derived data. These discussions identify ECD and ETD as powerful means by which unique and diagnostically useful polymer ion fragmentation data may be generated, and techniques worthy of increased utilisation by the polymer chemistry community.

  17. 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.

  18. 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

  19. 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…

  20. 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

    phosphoserine radical competitively eliminated phosphoric acid and H2PO4 radicals. A mechanism is proposed for this novel dissociation on the basis of a computational analysis of reaction pathways and transition states. Electronic structure theory calculations in combination with extensive molecular dynamics...... mapping of the potential energy surface provided structures for the precursor phosphopeptide dications. Electron attachment produces a multitude of low lying electronic states in charge-reduced ions that determine their reactivity in backbone dissociations and H- atom loss. The predominant loss of H atoms...... in ECD is explained by a distortion of the Rydberg orbital space by the strong dipolar field of the peptide dication framework. The dipolar field steers the incoming electron to preferentially attach to the positively charged arginine side chain to form guanidinium radicals and trigger...

  1. Rotamers and Migration: Investigating the Dissociative Photoionization of Ethylenediamine.

    Science.gov (United States)

    Muller, Giel; Voronova, Krisztina; Sztáray, Bálint; Meloni, Giovanni

    2016-06-09

    The unimolecular dissociation of energy-selected ethylenediamine cations was studied by threshold photoelectron photoion coincidence spectroscopy (TPEPICO) in the photon energy range of 8.60-12.50 eV. Modeling the breakdown diagram and time-of-flight distributions with rigid activated complex RRKM theory yielded 0 K appearance energies for eight dissociation channels, leading to NH2CHCH2(+)(•) at 9.120 ± 0.010 eV, CH3C(NH2)2(+) at 9.200 ± 0.012 eV, NH2CHCH3(+) at 9.34 ± 0.08 eV, CH2NH2(+) at 9.449 ± 0.025 eV, CH2NH3(+) at 9.8 ± 0.1 eV, c-C2H4NH2(+) at 10.1 ± 0.1 eV, CH3NHCHCH2(+) at 10.2 ± 0.1 eV, and the reappearance of CH2NH2(+) at 10.2 ± 0.1 eV. The CBS-QB3-calculated pathways highlighted the influence of intramolecular hydrogen attractions on the dissociation processes, presenting novel isomers and low-energy van der Waals intermediates that led to fragments in good agreement with experimental results. While most of the dissociation channels take place through reverse barriers, the 0 K heat of formation of (•)CH2NH2 was determined to be 147.6 ± 3.7 kJ mol(-1), in excellent agreement with literature, and the 0 K heat of formation of CH2NH3(+) at 844 ± 10 kJ mol(-1) is the first experimentally measured value available and is in good agreement with theory.

  2. 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.

  3. On the viability of heterolytic peptide N-C(α) bond cleavage in electron capture and transfer dissociation mass spectrometry.

    Science.gov (United States)

    Wodrich, Matthew D; Zhurov, Konstantin O; Corminboeuf, Clémence; Tsybin, Yury O

    2014-03-20

    While frequently employed as an experimental technique, the mechanistic picture surrounding the gas-phase dissociation of peptides carrying multiple positive charges during electron capture and electron transfer dissociation tandem mass spectrometry remains incomplete. Despite this mechanistic uncertainty, most proposals agree that the peptide backbone N-Cα bond located to the C-terminal (right) side of an aminoketyl radical formed in a peptide backbone during the electron capture process is homolytically cleaved. Recently, we introduced the "enol" mechanism, which proposes that a backbone N-Cα bond located to the N-terminal (left) side of an aminoketyl radical is cleaved heterolytically. Here, we further validate this mechanism using replica-exchange molecular dynamics to create unbiased representative sets of low-energy conformers for several model tryptic peptide systems (H-Alax-Lys-OH(2+), x = 3-5). Transition state barrier enthalpies for the cleavage of N-Cα bonds proceeding via the homolytic (right-side) and heterolytic (left-side) pathways, determined by density functional computations, identify the preferred cleavage route for each conformer. These findings support our original hypothesis that heterolytic N-Cα cleavage can exist in a competitive balance with homolytic cleavages, independent of the relative energy of the precursor dication species. Smaller peptide systems see decreased heterolytic N-Cα cleavage probabilities, likely resulting from an insufficient hydrogen-bonding network needed to stabilize and ultimately annihilate the transition state zwitterion. This observation may explain the early dismissal of left-side cleavage pathways based on computational studies employing small model systems.

  4. 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.

  5. Native electrospray ionization and electron-capture dissociation for comparison of protein structure in solution and the gas phase.

    Science.gov (United States)

    Zhang, Hao; Cui, Weidong; Gross, Michael L

    2013-11-15

    The importance of protein and protein-complex structure motivates improvements in speed and sensitivity of structure determination in the gas phase and comparison with that in solution or solid state. An opportunity for the gas phase measurement is mass spectrometry (MS) combined with native electrospray ionization (ESI), which delivers large proteins and protein complexes in their near-native states to the gas phase. In this communication, we describe the combination of native ESI, electron-capture dissociation (ECD), and top-down MS for exploring the structures of ubiquitin and cytochrome c in the gas phase and their relation to those in the solid-state and solution. We probe structure by comparing the protein's flexible regions, as predicted by the B-factor in X-ray crystallography, with the ECD fragments. The underlying hypothesis is that maintenance of structure gives fragments that can be predicted from B-factors. This strategy may be applicable in general when X-ray structures are available and extendable to the study of intrinsically disordered proteins.

  6. CO2 hydrate formation and dissociation in cooled porous media: a potential technology for CO2 capture and storage.

    Science.gov (United States)

    Yang, Mingjun; Song, Yongchen; Jiang, Lanlan; Zhu, Ningjun; Liu, Yu; Zhao, Yuechao; Dou, Binlin; Li, Qingping

    2013-09-03

    The purpose of this study was to investigate the hydrate formation and dissociation with CO2 flowing through cooled porous media at different flow rates, pressures, temperatures, and flow directions. CO2 hydrate saturation was quantified using the mean intensity of water. The experimental results showed that the hydrate block appeared frequently, and it could be avoided by stopping CO2 flooding early. Hydrate formed rapidly as the temperature was set to 274.15 or 275.15 K, but the hydrate formation delayed when it was 276.15 K. The flow rate was an important parameter for hydrate formation; a too high or too low rate was not suitable for CO2 hydration formation. A low operating pressure was also unacceptable. The gravity made hydrate form easily in the vertically upward flow direction. The pore water of the second cycle converted to hydrate more completely than that of the first cycle, which was a proof of the hydrate "memory effect". When the pressure was equal to atmospheric pressure, hydrate did not dissociate rapidly and abundantly, and a long time or reduplicate depressurization should be used in industrial application.

  7. 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.

  8. 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.

  9. First-principles investigations for the catalytic dissociation and oxidation of methane on the Cu surfaces

    Science.gov (United States)

    Li, Ying; Mahadevan, Jagan; Wang, Sanwu

    2010-03-01

    The catalytic reactions of dissociation and oxidation of methane on the copper surfaces play a key role in, for example, the development of high-performance solid oxide fuel cells. We used first-principles quantum theory and large-scale parallel calculations to investigate the atomic-scale mechanism of the catalytic chemical reactions. We report the calculated results, which provide fundamental information and understanding about the atomic-scale dynamics and electronic structures pertinent to the reactions and specifically the catalytic role of the Cu(100) and Cu(111) surfaces. We also report comparison of our results with available experimental data and previous theoretical investigations.

  10. 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.

  11. Pharmacological Investigations of the Dissociative ‘Legal Highs’ Diphenidine, Methoxphenidine and Analogues

    Science.gov (United States)

    Colestock, Tristan; Morris, Hamilton; Bortolotto, Zuner A.; Lodge, David; Halberstadt, Adam L.; Brandt, Simon D.

    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

  12. 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.

  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. Structure and dynamics of H2+ near the dissociation threshold: A combined experimental and computational investigation

    Science.gov (United States)

    Beyer, Maximilian; Merkt, Frédéric

    2016-12-01

    The pulsed-field-ionization zero-kinetic-energy photoelectron spectrum of H2 has been recorded in the vicinity of the dissociative-ionization threshold following three-photon excitation via selected rotational levels of the B1Σu+ (v = 19) and H ‾ 1Σg+ (v = 11) intermediate states. The spectra consist of transitions to bound levels of the X+2 Σg+ state of H2+ with v+ in the range 14-19 and N+ in the range 0-9, of the A+2 Σu+ 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 H2+ 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 comparison with the experimental observations. Slow oscillations of the dissociative-ionization yield have been observed and reflect, in first approximation, the Franck-Condon factors of the X+, A+ ← H ‾ bound - free transitions.

  15. 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...

  16. 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.

  17. 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.

  18. First principles investigations of small bimetallic PdGa clusters as catalysts for hydrogen dissociation

    Science.gov (United States)

    Kaul, Indu; Ghosh, Prasenjit

    2017-04-01

    Using first principles density functional theory based calculations, we have studied hydrogen dissociation on sub nanometer bimetallic clusters formed from d-block (Pd) and p-block (Ga) elements in gas phase to explore the feasibility of using them as cheap catalysts for hydrogen dissociation. Our calculations show that the dimers, trimers and tetramers of these clusters are thermodynamically more stable than the pure ones for all Ga concentrations. For a given cluster size, we find that the clusters containing equal amount of Pd and Ga are the most stable ones. In contrast to bulk PdGa, the contribution of Pd-d states to the highest occupied molecular orbitals of the bimetallic clusters are either very small or absent. Study of adsorption of hydrogen molecule on these clusters show that hydrogen binds in an activated form only on the Pd rich clusters. From the calculations of hydrogen dissociation barriers on tetramers of pure Pd, 25% Ga (Pd3Ga) and 50% Ga (Pd2Ga2) we find that Pd3Ga is the most efficient catalyst for hydrogen dissociation with barriers even lower than that on the PdGa surfaces.

  19. 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...

  20. Gas-phase doubly charged complexes of cyclic peptides with copper in +1, +2 and +3 formal oxidation states: formation, structures and electron capture dissociation.

    Science.gov (United States)

    Afonso, Carlos; Tabet, Jean-Claude; Giorgi, Gianluca; Tureček, František

    2012-02-01

    Copper complexes with a cyclic D-His-β-Ala-L-His-L-Lys and all-L-His-β-Ala-His-Lys peptides were generated by electrospray which were doubly charged ions that had different formal oxidation states of Cu(I), Cu(II) and Cu(III) and different protonation states of the peptide ligands. Electron capture dissociation showed no substantial differences between the D-His and L-His complexes. All complexes underwent peptide cross-ring cleavages upon electron capture. The modes of ring cleavage depended on the formal oxidation state of the Cu ion and peptide protonation. Density functional theory (DFT) calculations, using the B3LYP with an effective core potential at Cu and M06-2X functionals, identified several precursor ion structures in which the Cu ion was threecoordinated to pentacoordinated by the His and Lys side-chain groups and the peptide amide or enolimine groups. The electronic structure of the formally Cu(III) complexes pointed to an effective Cu(I) oxidation state with the other charge residing in the peptide ligand. The relative energies of isomeric complexes of the [Cu(c-HAHK + H)](2+) and [Cu(c-HAHK - H)](2+) type with closed electronic shells followed similar orders when treated by the B3LYP and M06-2X functionals. Large differences between relative energies calculated by these methods were obtained for open-shell complexes of the [Cu(c-HAHK)](2+) type. Charge reduction resulted in lowering the coordination numbers for some Cu complexes that depended on the singlet or triplet spin state being formed. For [Cu(c-HAHK - H)](2+) complexes, solution H/D exchange involved only the N-H protons, resulting in the exchange of up to seven protons, as established by ultra-high mass resolution measurements. Contrasting the experiments, DFT calculations found the lowest energy structures for the gas-phase ions that were deprotonated at the peptide C(α) positions.

  1. Multiscale scattering investigations of asphaltene cluster breakup, nanoaggregate dissociation, and molecular ordering.

    Science.gov (United States)

    Hoepfner, Michael P; Fogler, H Scott

    2013-12-10

    Small-angle X-ray and neutron scattering (SAXS/SANS) by asphaltenes in various solvents (toluene, tetrahydrofuran, and 1-methylnaphthalene) at dilute concentrations of asphaltenes are presented and discussed. As asphaltenes are diluted, it was found that the cluster size decreases and follows a fractal scaling law. This observation reveals that asphaltene clusters persist to dilute concentrations and maintain fractal characteristics, regardless of concentration. For the first time, the fraction of asphaltenes that exist in nanoaggregates compared to those molecularly dispersed was estimated from the scattering intensity. Significant dissociation was detected at concentrations similar to the previously reported critical nanoaggregate concentration (CNAC); however, the dissociation was observed to occur gradually as the asphaltene concentration was lowered. Complete dissociation was not detected, and aggregates persisted down to asphaltene concentrations as low as 15 mg/L (0.00125 vol. %). A simplified thermodynamic aggregation model was applied to the measurements, and the free energy change of association per asphaltene-asphaltene interaction was calculated to be approximately -31 kJ/mol. Finally, novel solvent-corrected WAXS results of asphaltene in a liquid environment are presented and reveal three distinct separation distances, in contrast to the two separation distances observed in diffraction studies of solid phase asphaltenes. Significant differences in the WAXS peak positions and shapes between aromatic and nonaromatic solvents suggests that there may be large differences between the solvation shell or conformation of the asphaltene alkyl shell depending on the surrounding liquid environment.

  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. 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

  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. Investigation of Isfahan miniature neutron source reactor (MNSR) for boron neutron capture therapy by MCNP simulation

    OpenAIRE

    S. Z. Kalantari; H Tavakoli; Nami, M.

    2015-01-01

    One of the important neutron sources for Boron Neutron Capture Therapy (BNCT) is a nuclear reactor. It needs a high flux of epithermal neutrons. The optimum conditions of the neutron spectra for BNCT are provided by the International Atomic Energy Agency (IAEA). In this paper, Miniature Neutron Source Reactor (MNSR) as a neutron source for BNCT was investigated. For this purpose, we designed a Beam Shaping Assembly (BSA) for the reactor and the neutron transport from the core of the reactor t...

  6. 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.

  7. Experimental investigations of electron capture from atomic hydrogen and deuterium by alpha particles

    Energy Technology Data Exchange (ETDEWEB)

    Gay, T.J.; Park, J.T.

    1992-01-01

    We report progress made during the period 15 September 1991--14 September 1992 on the project Experimental Investigations of Electron Capture from Atomic Hydrogen and Deuterium by Alpha Particles''. In the past year we have developed reliable, narrow energy spread, high-current sources of He[sup ++] based on direct-current magentron and electron-cyclotron resonance discharges. These sources have been proven on our test bench accelerator which has been upgraded to also allow us to test atomic hydrogen effusive targets. We have thus made substantial progress toward our goal of studying single electron capture from atomic hydrogen by doubly-ionized helium. A research plan for the upcoming year is also presented.

  8. 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.

  9. 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.

  10. 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

    2016-11-05

    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).

  11. 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.

  12. Fragmentation dynamics of CO(2)(3+) investigated by multiple electron capture in collisions with slow highly charged ions.

    Science.gov (United States)

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

    2010-03-12

    Fragmentation of highly charged molecular ions or clusters consisting of more than two atoms can proceed in a one step 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 CO(2)(3+) 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 CO(2+) 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 CO(2)(3+) ions are produced by multiple electron capture in collisions with 3.2 keV/u Ar(8+) ions.

  13. 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

    , 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......-terminal ammonium group. Besides, this experimental result is consistent with our DFT calculations, which suggest a lower abundance of N terminally-protonated [KWK+2H]2+(CE)2 compared to bare tripeptide cations. Extracting the H-loss contribution from ECID data had never been done for tripeptides nanosolvated by CE....... This allowed us to observe the enhancement of H loss from KWK and KYK nanosolvated by two CE, but surprisingly, not by one. This peculiar behavior might be due to H transfer from the reduced radical NH3 group to CE, followed by loss of the [CE+H] radical....

  14. Dissociation and reconstruction of double-decker bis(phthalocyaninato) terbium(III) complex (TbPc2) on Pd(001): A theoretical investigation

    Science.gov (United States)

    Liu, Heng; Hu, Yujie; Wang, Hao; Jiang, Bo; Xu, Xuechun; Cai, Yingxiang

    2017-01-01

    The study of molecule dissociation is helpful to disclose the nature of chemical bonds and to extend molecular functions. The double-decker bis(phthalocyaninato) terbium(III) complex (TbPc2) is a promising single-molecule magnet (SMM) which exhibits potential applications in spin-devices. In this study, we investigate the dissociation and reconstruction of TbPc2 on Pd(001) surface. The results show that a single TbPc2 adsorbed on Pd(001) tends to split into Pc/Pd(001)+TbPc. However, the TbPc/Pd(001)+Pc might also be observed in an experimental study due to only a slight difference in their dissociation energy. The TbPc2 molecules on Pd(001) will form a (5×3) reconstruction which is different from the (3×4) reconstruction of PbPc on Pd(001). If the TbPc2 molecules with (5×3) reconstruction is dissociated, this reconstruction will be inherited by its daughter molecules due to strong molecule-substrate interaction. In addition, nudged elastic band (NEB) calculation shows that Tb-down is the stable state of TbPc/Pd(001) and Tb-up is a metastable state. The transition between two states might be utilized to realize TbPc's switch or storage functions.

  15. Investigation of Isfahan miniature neutron source reactor (MNSR for boron neutron capture therapy by MCNP simulation

    Directory of Open Access Journals (Sweden)

    S.Z Kalantari

    2015-01-01

    Full Text Available One of the important neutron sources for Boron Neutron Capture Therapy (BNCT is a nuclear reactor. It needs a high flux of epithermal neutrons. The optimum conditions of the neutron spectra for BNCT are provided by the International Atomic Energy Agency (IAEA. In this paper, Miniature Neutron Source Reactor (MNSR as a neutron source for BNCT was investigated. For this purpose, we designed a Beam Shaping Assembly (BSA for the reactor and the neutron transport from the core of the reactor to the output windows of BSA was simulated by MCNPX code. To optimize the BSA performance, two sets of parameters should be evaluated, in-air and in-phantom parameters. For evaluating in-phantom parameters, a Snyder head phantom was used and biological dose rate and dose-depth curve were calculated in brain normal and tumor tissues. Our calculations showed that the neutron flux of the MNSR reactor can be used for BNCT, and the designed BSA in optimum conditions had a good therapeutic characteristic for BNCT.

  16. 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)

  17. Under-reactive but easily distracted: An fMRI investigation of attentional capture in autism spectrum disorder

    Directory of Open Access Journals (Sweden)

    Brandon Keehn

    2016-02-01

    Full Text Available For individuals with autism spectrum disorder (ASD, salient behaviorally-relevant information often fails to capture attention, while subtle behaviorally-irrelevant details commonly induce a state of distraction. The present study used functional magnetic resonance imaging (fMRI to investigate the neurocognitive networks underlying attentional capture in sixteen high-functioning children and adolescents with ASD and twenty-one typically developing (TD individuals. Participants completed a rapid serial visual presentation paradigm designed to investigate activation of attentional networks to behaviorally-relevant targets and contingent attention capture by task-irrelevant distractors. In individuals with ASD, target stimuli failed to trigger bottom-up activation of the ventral attentional network and the cerebellum. Additionally, the ASD group showed no differences in behavior or occipital activation associated with contingent attentional capture. Rather, results suggest that to-be-ignored distractors that shared either task-relevant or irrelevant features captured attention in ASD. Results indicate that individuals with ASD may be under-reactive to behaviorally-relevant stimuli, unable to filter irrelevant information, and that both top-down and bottom-up attention networks function atypically in ASD. Lastly, deficits in target-related processing were associated with autism symptomatology, providing further support for the hypothesis that non-social attentional processes and their neurofunctional underpinnings may play a significant role in the development of sociocommunicative impairments in ASD.

  18. 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

  19. 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.

  20. 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.

  1. 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.

  2. Microscopic investigations of site and functional selectivity of triazole for CO2 capture and catalytic applications.

    Science.gov (United States)

    Boulmène, Reda; Prakash, Muthuramalingam; Hochlaf, Majdi

    2016-11-02

    Ab initio and DFT studies on CO2 interacting with different tautomers and isomers of triazole (TZ) are carried out to understand the adsorption mechanism and their mutual preferential sites. We used post Hartree-Fock methods (MP2, CCSD(T), and CCSD(T)-F12) and various DFTs (PBE, PBE0, M05-2X, and M11) with and without considering the dispersion correction for comparison. We determined hence the equilibrium structures, vibrational frequencies and binding energies of TZ-CO2 clusters and mapped their potential energy surfaces along the intermonomer coordinates. We find that the most stable TZ-CO2 clusters, some of them are already known, are not relevant for CO2 capture in porous materials. In addition, we show that the bonding between TZ and CO2 is due to various kinds of noncovalent interactions such as π-stacking, acid-base pair electron donor-electron acceptor (EDA) interactions along with N-HO and C-HO H-bonds with CO2. Our analysis reveals the existence of site selectivity effects when CO2 binds to TZ. These effects are related to the magnitude of the interaction potentials, in the order EDA (+N-HO) > EDA (+C-HO) > C(δ+)N[double bond, length as m-dash]N > π-stacking > σ type N-HO > C-HO H-bonds. This is the first report on the importance of competition between EDA, π-stacking and σ-bonds for CO2 capture and catalytic applications. Findings from this work may be used to give insights into the site specific CO2 capture ability of porous materials such as metal organic frameworks (MOFs), zeolitic imidazolate frameworks (ZIFs) or functionalized polymers. Finally, we show that IR spectroscopy of CO2 within the pores is neither a specific nor an efficient marker in probe-molecule experiments.

  3. Theoretical investigation of the electron capture and loss processes in the collisions of He2+ + Ne.

    Science.gov (United States)

    Hong, Xuhai; Wang, Feng; Jiao, Yalong; Su, Wenyong; Wang, Jianguo; Gou, Bingcong

    2013-08-28

    Based on the time-dependent density functional theory, a method is developed to study ion-atom collision dynamics, which self-consistently couples the quantum mechanical description of electron dynamics with the classical treatment of the ion motion. Employing real-time and real-space method, the coordinate space translation technique is introduced to allow one to focus on the region of target or projectile depending on the actual concerned process. The benchmark calculations are performed for the collisions of He(2+) + Ne, and the time evolution of electron density distribution is monitored, which provides interesting details of the interaction dynamics between the electrons and ion cores. The cross sections of single and many electron capture and loss have been calculated in the energy range of 1-1000 keV/amu, and the results show a good agreement with the available experiments over a wide range of impact energies.

  4. 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...

  5. 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.

  6. 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.

  7. 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.

  8. 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...

  9. 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.

  10. 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)

  11. 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.

  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. Non-dissociative and dissociative ionization of a CO+ beam in intense ultrashort laser pulses

    Science.gov (United States)

    Gaire, B.; Ablikim, U.; Zohrabi, M.; Roland, S.; Carnes, K. D.; Ben-Itzhak, I.

    2011-05-01

    We have investigated the ionization of CO+ beams in intense ultrashort laser pulses. With the recent upgrades to our coincidence three-dimensional momentum imaging method we are able to measure both non-dissociative and dissociative ionization of the molecular-ion beam targets. Using CO+ as an example, we have found that non-dissociative ionization (leading to the metastable dication CO2+) involves a direct transition, i.e. the molecule is ionized with little or no internuclear distance stretch. Dissociative ionization (C+ + O+) occurs both directly and indirectly, stretching first and then ionizing. Our results show that the yield of dissociative ionization is higher than that of non-dissociative ionization and can be manipulated with the laser pulse duration by suppressing the indirect ionization path using ultrashort pulses (Office of Basic Energy Sciences, Office of Science, U.S. Department of Energy.

  14. Dissociation and dissociative ionization of H2+ using the time-dependent surface flux method

    CERN Document Server

    Yue, Lun

    2014-01-01

    The time-dependent surface flux method developed for the description of electronic spectra [L. Tao and A. Scrinzi, New J. Phys. 14, 013021 (2012); A. Scrinzi, New J. Phys. 14, 085008 (2012)] is extended to treat dissociation and dissociative ionization processes of H2+ interacting with strong laser pulses. By dividing the simulation volume into proper spatial regions associated with the individual reaction channels and monitoring the probability flux, the joint energy spectrum for the dissociative ionization process and the energy spectrum for dissociation is obtained. The methodology is illustrated by solving the time-dependent Schr\\"{o}dinger equation (TDSE) for a collinear one-dimensional model of H2+ with electronic and nuclear motions treated exactly and validated by comparison with published results for dissociative ionization. The results for dissociation are qualitatively explained by analysis based on dressed diabatic Floquet potential energy curves, and the method is used to investigate the breakdow...

  15. The role of clinical experience, diagnosis, and theoretical orientation in the treatment of posttraumatic and dissociative disorders: A vignette and survey investigation.

    Science.gov (United States)

    Dorahy, Martin J; Lewis-Fernández, Roberto; Krüger, Christa; Brand, Bethany L; Şar, Vedat; Ewing, Jan; Martínez-Taboas, Alfonso; Stavropoulos, Pam; Middleton, Warwick

    2017-01-01

    Controversy exists regarding the merits of exposure-based treatments for posttraumatic stress disorder (PTSD) versus a phased approach when prominent dissociative symptoms are present. The first aim of this study was to examine the degree to which diagnosing dissociation in two traumatized patients' vignettes influenced clinicians' preference for phase-oriented treatment and whether clinicians' treatment experience contributed to their treatment preference. The second aim was to assess the extent to which participants had observed traumatized patients worsen when treated with exposure therapy or phase-oriented therapy and whether the theoretical orientation and treatment experience of the clinician were related to the observed deterioration. In the tradition of expert and practitioner surveys, 263 clinicians completed a survey of their diagnoses and treatment preferences for two vignettes and their treatment experience, theoretical orientation, and observations of patients' deterioration. When a marked degree of dissociation was noted in the PTSD vignette, respondents favored phased approaches regardless of the diagnosis given. Reports of having observed patient deterioration during both exposure and phased therapy were predicted by years of experience. Psychodynamic therapists reported more observations of worsening during exposure therapy than cognitive behavior therapy therapists. Clinical experience treating PTSD may heighten awareness of negative therapeutic effects, potentially because experienced clinicians have a lower threshold for detecting such effects and because they are referred more challenging cases.

  16. 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

    -PTSD. The current study investigated the existence of a dissociative-PTSD subtype and explored whether a number of trauma and clinical covariates could differentiate between severe PTSD alone and dissociative-PTSD. The current study utilized a sample of 432 treatment seeking Canadian military veterans. Participants...... 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...

  17. 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.

  18. 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.

  19. Dissociation: Cognitive capacity or dysfunction?

    NARCIS (Netherlands)

    de Ruiter, M.B.; Bernet, M.; Phaf, R.H.

    2006-01-01

    Dissociative experiences are mostly studied as a risk factor for dissociative pathology. Nonpathological dissociation is quite common in the general population, however, and may reflect a constitutionally determined cognitive style rather than a pathological trait acquired through the experience of

  20. 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.

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

    Energy Technology Data Exchange (ETDEWEB)

    Gay, T.J.

    1994-06-01

    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.

  2. 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.

  3. 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.)

  4. 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.

  5. Investigation of photoneutron and capture gamma-ray production in Pb and W under irradiation from 16N decay radiation

    Science.gov (United States)

    Kebwaro, Jeremiah Monari; Zhao, Yaolin; He, Chaohui

    2015-09-01

    Lead and tungsten are potential alternative materials for shielding reactor ex-core components with high 16N activity when available space limits application of concrete. Since the two materials are vulnerable to photonuclear reactions, the nature and intensity of the secondary radiation resulting from (γ,n) and (n,γ) reactions when 16N decay radiation interact with these materials need to be well known for effective shielding design. In this study the MCNP code was used to calculate the photoneutron and capture gamma-ray spectra in the two materials when irradiated by 16N decay radiation. It was observed that some of the photoneutrons generated in the two materials lie in the low-energy range which is considered optimum for (n,γ) reactions. Lead is more transparent to the photoneutrons when compared to tungsten. The calculations also revealed that the bremsstrahlung generated by the beta spectrum was not sufficient to trigger any additional photoneutrons. Both energetic and less energetic capture gamma-rays are observed when photoneutrons interact with nuclei of the two materials. Depending on the strength of the 16N source term, the secondary radiation could affect the effectiveness of the shield and need to be considered during design.

  6. Dissociative recombination in aeronomy

    Science.gov (United States)

    Fox, J. L.

    1989-01-01

    The importance of dissociative recombination in planetary aeronomy is summarized, and two examples are discussed. The first is the role of dissociative recombination of N2(+) in the escape of nitrogen from Mars. A previous model is updated to reflect new experimental data on the electronic states of N produced in this process. Second, the intensity of the atomic oxygen green line on the nightside of Venus is modeled. Use is made of theoretical rate coefficients for production of O (1S) in dissociative recombination from different vibrational levels of O2(+).

  7. 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.

  8. Investigation of Dose Distribution in Mixed Neutron-Gamma Field of Boron Neutron Capture Therapy using N-Isopropylacrylamide Gel

    Directory of Open Access Journals (Sweden)

    Elham Bavarnegin

    2017-02-01

    Full Text Available Gel dosimeters have unique advantages in comparison with other dosimeters. Until now, these gels have been used in different radiotherapy techniques as a reliable dosimetric tool. Because dose distribution measurement is an important factor for appropriate treatment planning in different radiotherapy techniques, in this study, we evaluated the ability of the N-isopropylacrylamide (NIPAM polymer gel to record the dose distribution resulting from the mixed neutron-gamma field of boron neutron capture therapy (BNCT. In this regard, a head phantom containing NIPAM gel was irradiated using the Tehran Research Reactor BNCT beam line, and then by a magnetic resonance scanner. Eventually, the R2 maps were obtained in different slices of the phantom by analyzing T2-weighted images. The results show that NIPAM gel has a suitable potential for recording three-dimensional dose distribution in mixed neutron-gamma field dosimetry.

  9. 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.

  10. 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

  11. Experimental investigations of electron capture from atomic hydrogen and deuterium by alpha particles. Annual progress report, 15 September 1991--14 September 1992

    Energy Technology Data Exchange (ETDEWEB)

    Gay, T.J.; Park, J.T.

    1992-11-01

    We report progress made during the period 15 September 1991--14 September 1992 on the project ``Experimental Investigations of Electron Capture from Atomic Hydrogen and Deuterium by Alpha Particles``. In the past year we have developed reliable, narrow energy spread, high-current sources of He{sup ++} based on direct-current magentron and electron-cyclotron resonance discharges. These sources have been proven on our test bench accelerator which has been upgraded to also allow us to test atomic hydrogen effusive targets. We have thus made substantial progress toward our goal of studying single electron capture from atomic hydrogen by doubly-ionized helium. A research plan for the upcoming year is also presented.

  12. Capture reactions

    NARCIS (Netherlands)

    Endt, P.M.

    1956-01-01

    Capture reactions will be considered here from the viewpoint of the nuclear spectroscopist. Especially important to him are the capture of neutrons, protons, and alpha particles, which may proceed through narrow resonances, offering a well defined initial state for the subsequent deexcitation proces

  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. CO product distribution in the unimolecular dissociation of HCO

    Institute of Scientific and Technical Information of China (English)

    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.

  15. 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.

  16. Sexuality of dissocial persons

    Directory of Open Access Journals (Sweden)

    Marta Janus

    2016-02-01

    Full Text Available Introduction. The development of personality disorders as well as sexual disorders is defined by the common time spectrum as well as deficits and changes in such areas as biological, environmental and mental area. Dissocial (antisocial personality disorder is characterised by a pervasive pattern of disregard for, or violation of, the rights of others. The indices of the discussed disorder can be found in specific patterns of social inadequacy occurring during childhood and puberty. At the same time, characteristic indices of social functioning at a young age often indicate subsequent dysfunctions in the area of sexuality. Aim. The aim of this paper is to explain sexual functioning of persons with dissocial personality disorder (including the relation with sexual dysfunctions, and to ascertain issues that need further empirical studies. Method. As a result of analysis of available literature (matched with EBSCO database search fulfilling criteria of sample size, accuracy of examination procedure, conclusions and discussion 5 articles fulfilling criteria cited above has been found. Conclusions: Based on literature overview, it appeared to be impossible to determine one coherent way of sexual functioning of dissocial persons, and to establish causal relationship of sexual dysfunctions and dissocial personality disorder. However, it is possible to indicate group of most characteristic dysfunctional sexual behaviours. Noteworthy, available publication analyse only selected aspects of sexual behaviours in small, homogenous groups. There is a lack of review studies as well as multi-faceted studies.

  17. 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…

  18. Dissociation curves of diatomic molecules: A DC-DFT study

    Energy Technology Data Exchange (ETDEWEB)

    Sim, Eunji; Kim, Min-Cheol [Department of Chemistry and Institute of Nano-Bio Molecular Assemblies, Yonsei University, Seoul 120-749 (Korea, Republic of); Burke, Kieron [Department of Chemistry, University of California, Irvine, CA, 92697 (United States)

    2015-12-31

    We investigate dissociation of diatomic molecules using standard density functional theory (DFT) and density-corrected density functional theory (DC-DFT) compared with CCSD(T) results as reference. The results show the difference between the HOMO values of dissociated atomic species often can be used as an indicator whether DFT would predict the correct dissociation limit. DFT predicts incorrect dissociation limits and charge distribution in molecules or molecular ions when the fragments have large HOMO differences, while DC-DFT and CCSD(T) do not. The criteria for large HOMO difference is about 2 ∼ 4 eV.

  19. 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.

  20. A shock tube laser schlieren study of methyl acetate dissociation in the fall-off regime.

    Science.gov (United States)

    Annesley, Christopher J; Franklin Goldsmith, C; Tranter, Robert S

    2014-04-28

    The pyrolysis of methyl acetate, 2% and 4% dilute in krypton, was investigated in a diaphragmless shock tube (DFST) using laser schlieren densitometry (LS). Experiments were performed at 122 ± 3 and 63 ± 2 Torr over the temperature range of 1492-2266 K. Master equation models for the four main dissociation paths of methyl acetate based on a prior study by Peukert et al. [S. Peukert, R. Sivaramakrishnan, M. Su and J. Michael, Combust. Flame, 2012, 159, 2312-2323] were refined and formed the basis for simulating the LS experiments. The density gradient profiles from the LS experiments indicate that the initial dissociation proceeds predominantly by breakage of the C-O bond leading ultimately to two methyl radicals and CO2, accounting for 83-88% of the methyl acetate loss over this temperature range. Rate coefficients for dissociation of methyl acetate were satisfactorily simulated with a master equation model, with modelled rate coefficients of k120 Torr = 9.06 × 10(81) × T(-19.07) × exp(-61 600K/T) s(-1), k60 Torr = 3.71 × 10(82) × T(-19.34) × exp(-61 200K/T) s(-1), and of k∞ = 1.97 × 10(30) × T(-3.80) × exp(-47 900K/T) s(-1) for the major channel, based on fitting to 120 Torr and 60 Torr data taken in this study. The model also captures the pressure dependency of methyl acetate dissociation and resolves an earlier discrepancy concerning the mechanism of dissociation of methyl acetate.

  1. The impact of dissociation and depression on the efficacy of prolonged exposure treatment for PTSD

    NARCIS (Netherlands)

    Hagenaars, M.A.; Minnen, A. van; Hoogduin, C.A.L.

    2010-01-01

    This study investigates the impact of dissociative phenomena and depression on the efficacy of prolonged exposure treatment in 71 patients with posttraumatic stress disorder (PTSD). Diagnoses, comorbidity, pretreatment depressive symptoms, PTSD symptom severity, and dissociative phenomena (trait dis

  2. Capturing appearance

    Science.gov (United States)

    Rushmeier, Holly E.

    2005-01-01

    For computer graphics applications, capturing the appearance parameters of objects (reflectance, transmittance and small scale surface structures), is as important as capturing the overall shape. We briefly review recent approaches developed by the computer graphics community to solve this problem. Excellent results have been obtained by various researchers measuring spatially varying reflectance functions for some classes of objects. We will consider some challenges from two of the remaining problematic classes of objects. First we will describe our experience scanning and modeling the throne of Tutankhamen. The major difficulties in this case were that the base shape was a highly detailed non-convex geometry with complex topology, and the shape was covered by optically uncooperative gold and silver. Then we will discuss some observations from our ongoing project to scan and model historic buildings on the Yale campus. The major difficulties in this second case are quantity of data and the lack of control over acquisition conditions.

  3. Phenol dissociation on pristine and defective graphene

    Science.gov (United States)

    Widjaja, Hantarto; Oluwoye, Ibukun; Altarawneh, Mohammednoor; Hamra, A. A. B.; Lim, H. N.; Huang, N. M.; Yin, Chun-Yang; Jiang, Zhong-Tao

    2017-03-01

    Phenol (C6H5O‒H) dissociation on both pristine and defective graphene sheets in terms of associated enthalpic requirements of the reaction channels was investigated. Here, we considered three common types of defective graphene, namely, Stone-Wales, monovacancy and divacancy configurations. Theoretical results demonstrate that, graphene with monovacancy creates C atoms with dangling bond (unpaired valence electron), which remains particularly useful for spontaneous dissociation of phenol into phenoxy (C6H5O) and hydrogen (H) atom. The reactions studied herein appear barrierless with reaction exothermicity as high as 2.2 eV. Our study offers fundamental insights into another potential application of defective graphene sheets.

  4. 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.

  5. 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.

  6. Structure and Decay at Rapid Proton Capture Waiting Points

    Science.gov (United States)

    Hove, D.; Garrido, E.; Jensen, A. S.; Fynbo, H. O. U.; Fedorov, D. V.; Zinner, N. T.

    2017-01-01

    We investigate the region of the nuclear chart around A ˜eq 70 from a three-body perspective, where we compute reaction rates for the radiative capture of two protons. One key quantity is here the photon dissociation cross section for the inverse process where two protons are liberated from the borromean nucleus by photon bombardment. We find a number of peaks at low photon energy in this cross section where each peak is located at the energy corresponding to population of a three-body resonance. Thus, for these energies the decay or capture processes proceed through these resonances. However, the next step in the dissociation process still has the option of following several paths, that is either sequential decay by emission of one proton at a time with an intermediate two-body resonance as stepping stone, or direct decay into the continuum of both protons simultaneously. The astrophysical reaction rate is obtained by folding of the cross section as function of energy with the occupation probability for a Maxwell-Boltzmann temperature distribution. The reaction rate is then a function of temperature, and of course depending on the underlying three-body bound state and resonance structures. We show that a very simple formula at low temperature reproduces the elaborate numerically computed reaction rate.

  7. Trojan capture by terrestrial planets

    CERN Document Server

    Schwarz, Richard

    2016-01-01

    The paper is devoted to investigate the capture of asteroids by Venus, Earth and Mars into the 1:1 mean motion resonance especially into Trojan orbits. Current theoretical studies predict that Trojan asteroids are a frequent by-product of the planet formation. This is not only the case for the outer giant planets, but also for the terrestrial planets in the inner Solar System. By using numerical integrations, we investigated the capture efficiency and the stability of the captured objects. We found out that the capture efficiency is larger for the planets in the inner Solar System compared to the outer ones, but most of the captured Trojan asteroids are not long term stable. This temporary captures caused by chaotic behaviour of the objects were investigated without any dissipative forces. They show an interesting dynamical behaviour of mixing like jumping from one Lagrange point to the other one.

  8. Recurrent dissociative fugue

    Directory of Open Access Journals (Sweden)

    Abhishek Mamarde

    2013-01-01

    Full Text Available Dissociative fugue is a rarely reported diagnostic entity. It is one of the least understood and yet clinically one of the most fascinating disorders in mental health. Here, we describe a case of fugue in a 32-year-old man who was brought to mental hospital with complete loss of memory for events pertaining to identity of self. This case illustrates the nature of presentation in hospital setting like mental hospital and effort taken to reintegrate his identity and reunite with his family.

  9. Dissociative Electron Attachment

    Science.gov (United States)

    Arreola, Esmeralda; Esmeralda Arreola Collaboration; Leigh Hargreaves Collaboration

    Since the pioneering work of Boudiaffa et al., it has been understood that electrons, even with energies near or below the ionization threshold, are capable of initiating strand-breaks in human DNA. This discovery raised important questions for cancer treatments, since sub-ionizing electrons are known to be the most copiously produced secondary product of radiation therapy. But even to date these factors are largely excluded from dosimetry calculations. This lack of inclusion is, at least in part, certainly due to the dearth of fundamental data describing low-energy electron interactions with nucleotide molecules that form the basis of DNA. Understanding of how such slow electrons are able to damage DNA remains incomplete, but the strongly peaked nature of Boudiaffa et al.'s data gives strong hints at resonantly driven collision processes. DNA damage is therefore most likely driven by ``dissociative electron attachment'' (DEA). DEA is a rather complicated process to model due to the coupling of electronic and nuclear degrees of freedom in the molecule. At the California State University Fullerton, we are currently commissioning a new spectrometer to study dissociation channels, reaction rates and orientation effects in DEA collisions between slow electrons and nucleotide molecules. At the meeting we will present design parameters and commissioning data for this new apparatus.

  10. 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.

  11. Dissociative Experiences in Psychiatric Inpatients

    Directory of Open Access Journals (Sweden)

    Ali Firoozabadi

    2016-11-01

    Full Text Available Dissociative disorders are conditions that involve disruptions of memory, awareness, identity, or perception. Data collected in diverse geographic locations underline the consistency in clinical symptoms of dissociative disorders. In this cross-sectional descriptive study, prevalence of dissociative experiences has been screened in hospitalized patients in psychiatric wards of Shiraz University of Medical Sciences in Iran. One hundred and sixty patients in two hospitals entered the study. Our tool to screen the prevalence of dissociative experiences was Dissociative Experience Scale (DES. Linear regression analysis shows that gender and age are predictors of high DES scores to some extent while psychiatric disorders are not good predictors. Age, gender and psychiatric disorders are poor predictors (almost 7% of high DES scores in this study (R square=0.69. In this study, patients with Borderline Personality Disorder had higher dissociative experiences based on DES score (Mean: 56.44, followed by Schizophrenic patients (Mean: 28.22 and patients with Bipolar Personality Disorder (Mean: 25.18. This study showed that we might be able to create a new category in psychological disorders based on dissociative experiences. As age, gender and psychological disorders were poor predictors of dissociative experiences, stronger predictors such as positive childhood psychological traumas could be responsible for dissociative disorders.

  12. 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…

  13. 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...... and in the Fischer-Tropsch synthesis....

  14. Dissociation and memory fragmentation: Experimental effects on meta-memory but not on actual memory performance.

    NARCIS (Netherlands)

    van den Hout, M.; Kindt, M.

    2003-01-01

    The relation between state dissociation and fragmentary memory was investigated by assessing both actual memory performance and meta-memory. From a sample of 330 normal subjects, 2 subsamples were selected on basis of trait dissociation, as measured by the Dissociative Experience Scale. 20 subjects

  15. 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.

  16. 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.

  17. Dissociative electron attachment studies on acetone

    Energy Technology Data Exchange (ETDEWEB)

    Prabhudesai, Vaibhav S., E-mail: vaibhav@tifr.res.in; Tadsare, Vishvesh; Ghosh, Sanat; Gope, Krishnendu; Davis, Daly; Krishnakumar, E. [Tata Institute of Fundamental Research, Homi Bhabha Road, Colaba, Mumbai 400005 (India)

    2014-10-28

    Dissociative electron attachment (DEA) to acetone is studied in terms of the absolute cross section for various fragment channels in the electron energy range of 0–20 eV. H{sup −} is found to be the most dominant fragment followed by O{sup −} and OH{sup −} with only one resonance peak between 8 and 9 eV. The DEA dynamics is studied by measuring the angular distribution and kinetic energy distribution of fragment anions using Velocity Slice Imaging technique. The kinetic energy and angular distribution of H{sup −} and O{sup −} fragments suggest a many body break-up for the lone resonance observed. The ab initio calculations show that electron is captured in the multi-centered anti-bonding molecular orbital which would lead to a many body break-up of the resonance.

  18. 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...

  19. Investigation of aerosol based emission of MEA due to sulphuric acid aerosol and soot in a post combustion CO2 capture process

    NARCIS (Netherlands)

    Khakharia, P.M.; Brachert, L.; Mertens, J.; Huizinga, A.; Schallert, B.; Schaber, K.; Vlugt, T.J.H.; Goetheer, E.L.V.

    2013-01-01

    The prevention of emissions of amine species is of high importance for the overall sustainability and performance of Post Combustion CO2 Capture facilities. There is a clear understanding of amine emissions based on volatility in the treated flue gas. Emission via aerosols from Post Combustion CO2 C

  20. 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.

  1. Dissociative Disorder Presenting as Catatonia

    OpenAIRE

    Sarkar, P; Patra, B.; Sattar, F.A.; Chatterjee, K.; Gupta, A; Walia, T.S.

    2004-01-01

    Three cases of dissociative disorder presenting with catatonia are described. Catatonia is generally believed to be associated with schizophrenia. However, many other conditions are also known to cause catatonia. A brief review of literature is provided. All the cases improved rapidly with a few ECTs. This report aims to highlight the presentation of dissociative disorders with catatonia. It also seeks to bring to notice the need to avoid lumping all non-organic catatonics under the rubric of...

  2. Catalytic efficiency of Nb and Nb oxides for hydrogen dissociation

    Energy Technology Data Exchange (ETDEWEB)

    Isobe, Shigehito, E-mail: isobe@eng.hokudai.ac.jp [Graduate School of Engineering, Hokkaido University, N-13, W-8, Sapporo 060-0813 (Japan); Creative Research Institution, Hokkaido University, N-20, W-10, Sapporo 001-0021 (Japan); Kudoh, Katsuhiro; Hino, Satoshi; Hashimoto, Naoyuki; Ohnuki, Somei [Graduate School of Engineering, Hokkaido University, N-13, W-8, Sapporo 060-0813 (Japan); Hara, Kenji [Catalysis Research Center, Hokkaido University, N-20, W-10, Sapporo 001-0021 (Japan)

    2015-08-24

    In this letter, catalytic efficiency of Nb, NbO, Nb{sub 2}O{sub 3}, NbO{sub 2}, and Nb{sub 2}O{sub 5} for dissociation and recombination of hydrogen were experimentally investigated. On the surface of Nb and Nb oxides in a gas mixture of H{sub 2} and D{sub 2}, H{sub 2} and D{sub 2} molecules can be dissociated to H and D atoms; then, H{sub 2}, D{sub 2}, and HD molecules can be produced according to the law of probability. With increase of frequency of the dissociation and recombination, HD ratio increases. The ratio of H{sub 2} and HD gas was analyzed by quadrupole mass spectrometry. As a result, NbO showed the highest catalytic activity towards hydrogen dissociation and recombination.

  3. 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.

  4. 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.

  5. 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.

  6. Exotic Properties of Light Nuclei and their Neutron Capture Cross Sections

    CERN Document Server

    Mengoni, A; Nakamura, T; Ishihara, M

    1996-01-01

    We have investigated the implications of the neutron halo configuration, observed in the ground-state of some neutron-rich light nuclei, on neutron radiative transition processes. In particular, we have studied the influence of the neutron halo on the direct radiative capture (DRC) process. The energy dependence as well as the strength of E1 emission due to incident p-wave neutrons is strongly influenced by the halo configuration of the residual nucleus capturing state. We have compared the calculated 10Be(n,gamma)11Be DRC cross section with that derived from the experiment in the inverse kinematics (Coulomb dissociation of 11Be). We show from the comparison that some important information on the structure of the halo nucleus 11Be can be derived.

  7. Electron photodetachment dissociation for structural characterization of synthetic and bio-polymer anions.

    Science.gov (United States)

    Antoine, Rodolphe; Lemoine, Jérôme; Dugourd, Philippe

    2014-01-01

    Tandem mass spectrometry (MS-MS) is a generic term evoking techniques dedicated to structural analysis, detection or quantification of molecules based on dissociation of a precursor ion into fragments. Searching for the most informative fragmentation patterns has led to the development of a vast array of activation modes that offer complementary ion reactivity and dissociation pathways. Collisional activation of ions using atoms, molecules or surface resulting in unimolecular dissociation of activated ions still plays a key role in tandem mass spectrometry. The discovery of electron capture dissociation (ECD) and then the development of other electron-ion or ion/ion reaction methods, constituted a significant breakthrough, especially for structural analysis of large biomolecules. Similarly, photon activation opened promising new frontiers in ion fragmentation owing to the ability of tightly controlled internal energy deposition and easy implementation on commercial instruments. Ion activation by photons includes slow heating methods such as infrared multiple photon dissociation (IRMPD) and black-body infrared radiative dissociation (BIRD) and higher energy methods like ultra-violet photodissociation (UVPD) and electron photo detachment dissociation (EPD). EPD occurs after UV irradiation of multiply negatively charged ions resulting in the formation of oxidized radical anions. The present paper reviews the hypothesis regarding the mechanisms of electron photo-detachment, radical formation and direct or activated dissociation pathways that support the observation of odd and even electron product ions. Finally, the value of EPD as a complementary structural analysis tool is illustrated through selected examples of synthetic polymers, oligonucleotides, polypeptides, lipids, and polysaccharides.

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

    Directory of Open Access Journals (Sweden)

    Michael Allen Lindon

    2014-09-01

    Full Text Available 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 CO2 within a planar DBD, while the gas flow rate, voltage, gas composition, driving frequency, catalyst, and pulse modes were varied. Some of the VADER results include a maximum CO2 dissociation energy efficiency of 2.5 +/- 0.5%, a maximum CO$_2$ dissociation rate of 4 +/- 0.4*10^-6 mol CO2/s (5 +/- 0.5% percent dissociation, discovering that a resonant driving frequency of ~30 kHz, dependent on both applied voltage and breakdown voltage, is best for efficient CO2 dissociation and that TiO2, a photocatalyst, improved dissociation efficiencies by an average of 18% at driving frequencies above 5 kHz.

  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. 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^+).

  14. 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

  15. 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

  16. 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.

  17. 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.

  18. 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;...

  19. 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

  20. Why dissociation and schizotypy overlap: the joint influence of fantasy proneness, cognitive failures, and childhood trauma.

    Science.gov (United States)

    Giesbrecht, Timo; Merckelbach, Harald; Kater, Maartje; Sluis, Anne Fetsje

    2007-10-01

    A number of studies have noted that dissociative symptoms (e.g., feelings of derealization, depersonalization, memory complaints, absorption) overlap with the tendency to report psychotic-like experiences (i.e., schizotypy). The question arises as to what may account for the shared variance between dissociation and schizotypy. The present study investigated whether fantasy proneness, cognitive failures, and childhood trauma may jointly explain the dissociation-schizotypy link. To this end, we administered the Dissociative Experiences Scale, the Schizotypal Personality Scale, the Creative Experiences Questionnaire, the Cognitive Failures Questionnaire, and the Childhood Trauma Questionnaire to a sample of undergraduates (N = 185). Fantasy proneness, cognitive failures, and childhood trauma together explained substantial part (58%) of the dissociation-schizotypy link. The present study succeeded in explaining a considerate part of the shared variance between dissociation and schizotypy.

  1. 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.

  2. Neutral dissociation of methane in the ultra-fast laser pulse

    Institute of Scientific and Technical Information of China (English)

    SONG Di; LIU Kai; KONG FanAo; XIA AnDong

    2008-01-01

    Neutral fragments of methane were performed using femetoeecond laser at an intensity of 1013-14 W/cm2. A new mechanism of neutral dissociation is proposed in this work. The methane molecule is excited to super-excited states, in which it would dissociate into neutral fragments. We made Morse type potential energy surfaces for the super-excited molecules. Furthermore, we investigated the dissociation dy-namics of the super-excited states by using quasi-classical trajectory (QCT) method. The results thus interpret the neutral dissociation of the methane molecule in the ultra-fast laser pulse.

  3. 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.

  4. Atrial dissociation in a middle aged patient: a case report.

    Directory of Open Access Journals (Sweden)

    Shokoufeh Hajsadeghi

    2014-08-01

    Full Text Available Atrial dissociation is characterized by different types of P waves captured in an electrocardiogram, usually seen in critically ill or post-cardiac transplantation patients. Our case demonstrates a 55-year-old man, presenting with chest pain (unstable angina in the emergency department with transient double-P waves; representing the phenomenon. Our case did not have any of the suggested causes or any known cardiac problems; therefore, with ruling out other differential diagnosis, researches must be done to find another explanation, if repeated.

  5. 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

  6. Enhancement of burning velocity by dissociated oxygen atoms

    Science.gov (United States)

    Akashi, Haruaki; Yoshinaga, Tomokazu; Sasaki, Koichi

    2015-09-01

    Green technology, such as preventing global warming, has been developed for years. Researches on plasma assisted combustion is one of the technologies and have been done for investigating more efficient combustion, more efficient use of fossil fuel with plasmas or applying electric fields. In the ignition time delay analyses with the dissociated oxygen atoms which is generated by non-equilibrium plasma had significant effect on the ignition time. In this paper, dissociated oxygen could effect on burning velocity or not has been examined using CHEMKIN. As a result, no effect can be seen with dissociation degree of lower than 10-3. But there is an effect on the enhancement of burning velocity with higher degree of 10-3. At the dissociation degree of 5×10-2, the burning velocity is enhanced at a factor of 1.24. And it is found that the distributions of each species in front of preheat zone are completely different. The combustion process is proceeded several steps in advance, and generation of H2O, CO and CO2 can be seen before combustion in higher dissociation case. This work was supported by KAKENHI (22340170).

  7. 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…

  8. 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.

  9. Cooperative dissociations of misfit dislocations at bimetal interfaces

    Science.gov (United States)

    Liu, K.; Zhang, R. F.; Beyerlein, I. J.; Chen, X. Y.; Yang, H.; Germann, T. C.

    2016-11-01

    Using atomistic simulations, several semi-coherent cube-on-cube bimetal interfaces are comparatively investigated to unravel the combined effect of the character of misfit dislocations, the stacking fault energy difference between bimetal pairs, and their lattice mismatch on the dissociation of interfacial misfit dislocations. Different dissociation paths and features under loadings provide several unique deformation mechanisms that are critical for understanding interface strengthening. In particular, applied strains can cause either the formation of global interface coherency by the migration of misfit dislocations from an interface to an adjoining crystal interior or to an alternate packing of stacking faults connected by stair-rod dislocations.

  10. 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.

  11. Imaging the Temporal Evolution of Molecular Orbitals during Ultrafast Dissociation

    Science.gov (United States)

    Sann, H.; Havermeier, T.; Müller, C.; Kim, H.-K.; Trinter, F.; Waitz, M.; Voigtsberger, J.; Sturm, F.; Bauer, T.; Wallauer, R.; Schneider, D.; Weller, M.; Goihl, C.; Tross, J.; Cole, K.; Wu, J.; Schöffler, M. S.; Schmidt-Böcking, H.; Jahnke, T.; Simon, M.; Dörner, R.

    2016-12-01

    We investigate the temporal evolution of molecular frame angular distributions of Auger electrons emitted during ultrafast dissociation of HCl following a resonant single-photon excitation. The electron emission pattern changes its shape from that of a molecular σ orbital to that of an atomic p state as the system evolves from a molecule into two separated atoms.

  12. 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.

  13. 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...

  14. 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.

  15. 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)

  16. 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.

  17. 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

  18. 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...

  19. 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

  20. 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

  1. 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.

  2. A purge and trap technique to capture volatile compounds combined with comprehensive two-dimensional gas chromatography/time-of-flight mass spectrometry to investigate the effect of sulfur-fumigation on Radix Angelicae Dahuricae.

    Science.gov (United States)

    Cao, Gang; Li, Qinglin; Zhang, Jida; Cai, Hao; Cai, Baochang

    2014-09-01

    Sulfur-fumigation is known to reduce volatile compounds that are the main active components in herbs used in herbal medicine. We investigated changes in chemical composition between sun-dried and sulfur-fumigated Radix Angelicae Dahuricae using a purge and trap technique to capture volatile compounds, and two-dimensional gas chromatography/time-of-flight mass spectrometry for identification. Using sun-dried Radix Angelicae Dahuricae samples as a reference, the results showed that 73 volatile compounds, including 12 sulfide compounds, were found to be present only in sulfur-fumigated samples. Furthermore, 32 volatile compounds that were found in sun-dried Radix Angelicae Dahuricae samples disappeared after sulfur-fumigation. The proposed method can be applied to accurately discriminate sulfur-fumigated Radix Angelicae Dahuricae from different commercial sources.

  3. 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...

  4. 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.)

  5. Dissociation of dicarboxylate and disulfonate dianions

    NARCIS (Netherlands)

    Ard, S.; Mirsaleh-Kohan, N.; Steill, J. D.; Oomens, J.; Nielsen, S. B.; Compton, R. N.

    2010-01-01

    Collision-induced dissociation (CID), along with infrared multiple photon dissociation/detachment (IRMPD) techniques, is utilized to study a series of doubly substituted aromatic dianions containing sulfonate and carboxylate functionalities (1,2- and 1,3-benzenedisulfonate, 1,5-naphthalenedisulfonat

  6. Dissociation and the Development of Psychopathology.

    Science.gov (United States)

    Putnam, Frank W.; Trickett, Penelope K.

    This paper reviews the research on dissociation and the development of psychopathology in children and adolescents. Definitions and dimensions of dissociation are addressed, noting its range from normative daydreaming to the extremes found in individuals with multiple personality disorder. Memory dysfunctions, disturbances of identity, passive…

  7. Coulomb dissociation of N-20,N-21

    NARCIS (Netherlands)

    Roeder, 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.; 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; Gernhaeuser, Roman; Goebel, Kathrin; Golubev, Pavel; Diaz, D. Gonzalez; Hagdahl, Julius; Heftrich, Tanja; Heil, Michael; Heine, Marcel; Heinz, Andreas; Henriques, Ana; Holl, Matthias; Ickert, G.; Ignatov, Alexander; Jakobsson, Bo; Johansson, Hakan; Jonson, Bjorn; Kalantar-Nayestanaki, Nasser; Kanungo, Rituparna; Kelic-Heil, Aleksandra; Knoebel, Ronja; Kroell, Thorsten; Kruecken, 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; del Rio Saez, Jose Sanchez; 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 in the creation of chemical elements. Here, data from a Coulomb dissociation experiment on N-20,N-21 are reported. Relativistic N-20,N-21 ions impinged on a lead target and the Coulomb dissociation cross section was determined in a

  8. Dissociative depression among women in the community.

    Science.gov (United States)

    Sar, Vedat; Akyüz, Gamze; Oztürk, Erdinç; Alioğlu, Firdevs

    2013-01-01

    This study screened the prevalence and correlates of dissociative disorders among depressive women in the general population. The Dissociative Disorders Interview Schedule and the posttraumatic stress disorder (PTSD) and borderline personality disorder sections of the Structured Clinical Interview for DSM-IV were administered to 628 women in 500 homes. The prevalence of current major depressive episode was 10.0%. Of the women, 26 (40.6%) had the lifetime diagnosis of a DSM-IV, dissociative disorder, yielding a prevalence of 4.1% for dissociative depression. This group was younger (mean age = 30.7 years) than the nondissociative depression women (mean age = 39.6 years). There was no difference between the 2 groups on comorbid somatization disorder, PTSD, or borderline personality disorder. Besides suicide attempts, the dissociative group was characterized by secondary features of dissociative identity disorder; Schneiderian symptoms; borderline personality disorder criteria; and extrasensory perceptions, including possession experiences. They reported suicidality, thoughts of guilt and worthlessness, diminished concentration and indecisiveness, and appetite and weight changes more frequently than the nondissociative group. Early cessation of school education and childhood sexual abuse were frequently reported by the dissociative depression group. With its distinct features, the concept of dissociative depression may facilitate understanding of treatment resistance in, development of better psychotherapy strategies for, and new thinking on the neurobiology and pharmacotherapy of depressive disorders.

  9. [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.

  10. Cognitive and dissociative manifestations in fibromyalgia.

    Science.gov (United States)

    Leavitt, Frank; Katz, Robert S; Mills, Megan; Heard, Amy R

    2002-04-01

    Memory decline and mental confusion frequently complicate the clinical presentation of fibromyalgia; however, formal cognitive examination often does not support deterioration. This paradox was examined in the context of dissociation, a condition with many cognitive similarities. Dissociation refers to the separation of parts of experience from the mainstream of consciousness. A common example is highway hypnosis. Eighty-nine fibromyalgia (FM) patients and 64 other rheumatic disease patients were screened for memory decline and mental confusion using a questionnaire format. Pain, dissociation, affective distress, fatigue, sleep difficulty, and mental confusion were also assessed. Cognitive complaints (76.4%-43.8%) and dissociative symptoms (37.1%-1.9%) were overrepresented in patients with FM. Among FM patients with high dissociation, cognitive difficulties were reported by 95%; 100% of these cases reported that both memory and mental clarity were affected, a condition referred to as fibrofog. Dissociation in combination with fibrofog was associated with higher levels of FM symptom intensity and decreased mental well being. These findings suggest that dissociation may play a role in FM symptom amplification and may aid in comprehending the regularity of cognitive symptoms. Separating cases of fibrofog from cognitive conditions with actual brain damage is important. It may be prudent to add a test of dissociation as an adjunct to the evaluation of FM patients in cases of suspected fibrofog. Otherwise, test results may prove normal even in patients with disabling cognitive symptoms.

  11. 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.

  12. Techniques for capturing bighorn sheep lambs

    Science.gov (United States)

    Smith, Joshua B.; Walsh, Daniel P.; Goldstein, Elise J.; Parsons, Zachary D.; Karsch, Rebekah C.; Stiver, Julie R.; Cain, James W.; Raedeke, Kenneth J.; Jenks, Jonathan A.

    2014-01-01

    Low lamb recruitment is a major challenge facing managers attempting to mitigate the decline of bighorn sheep (Ovis canadensis), and investigations into the underlying mechanisms are limited because of the inability to readily capture and monitor bighorn sheep lambs. We evaluated 4 capture techniques for bighorn sheep lambs: 1) hand-capture of lambs from radiocollared adult females fitted with vaginal implant transmitters (VITs), 2) hand-capture of lambs of intensively monitored radiocollared adult females, 3) helicopter net-gunning, and 4) hand-capture of lambs from helicopters. During 2010–2012, we successfully captured 90% of lambs from females that retained VITs to ≤1 day of parturition, although we noted differences in capture rates between an area of high road density in the Black Hills (92–100%) of South Dakota, USA, and less accessible areas of New Mexico (71%), USA. Retention of VITs was 78% with pre-partum expulsion the main cause of failure. We were less likely to capture lambs from females that expelled VITs ≥1 day of parturition (range = 80–83%) or females that were collared without VITs (range = 60–78%). We used helicopter net-gunning at several sites in 1999, 2001–2002, and 2011, and it proved a useful technique; however, at one site, attempts to capture lambs led to lamb predation by golden eagles (Aquila chrysaetos). We attempted helicopter hand-captures at one site in 1999, and they also were successful in certain circumstances and avoided risk of physical trauma from net-gunning; however, application was limited. In areas of low accessibility or if personnel lack the ability to monitor females and/or VITs for extended periods, helicopter capture may provide a viable option for lamb capture.

  13. Is the dissociative adult suggestible? A test of the trauma and fantasy models of dissociation.

    Science.gov (United States)

    Kluemper, Nicole S; Dalenberg, Constance

    2014-01-01

    Psychologists have long assumed a connection between traumatic experience and psychological dissociation. This hypothesis is referred to as the trauma model of dissociation. In the past decade, a series of papers have been published that question this traditional causal link, proposing an alternative fantasy model of dissociation. In the present research, the relationship among dissociation, suggestibility, and fantasy proneness was examined. Suggestibility was measured through the Gudjonsson Scale of Interrogative Suggestibility (GSS) as well as an autobiographically based version of this measure based on the events of September 11, 2001. Consistent with prior research and with the trauma model, dissociation correlated positively with trauma severity (r = .32, p fantasy proneness (r = .60, p fantasy model, dissociation did not correlate with the neutral form of the GSS and correlated negatively (r = -.24, p fantasy model of dissociation.

  14. 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...

  15. Gas hydrate dissociation structures in submarine slopes

    Energy Technology Data Exchange (ETDEWEB)

    Gidley, I.; Grozic, J.L.H. [Calgary Univ., AB (Canada). Dept. of Civil Engineering

    2008-07-01

    Studies have suggested that gas hydrates may play a role in submarine slope failures. However, the mechanics surrounding such failures are poorly understood. This paper discussed experimental tests conducted on a small-scale physical model of submarine soils with hydrate inclusions. The laboratory tests investigated the effects of slope angle and depth of burial of the hydrate on gas escape structures and slope stability. Laponite was used to model the soils due to its ability to swell and produce a clear, colorless thixotropic gel when dispersed in water. An R-11 refrigerant was used to form hydrate layers and nodules. The aim of the experiment was to investigate the path of the fluid escape structures and the development of a subsequent slip plane caused by the dissociation of the R-11 hydrates. Slope angles of 5, 10, and 15 degrees were examined. Slopes were examined using high-resolution, high-speed imaging techniques. Hydrate placement and slope inclinations were varied in order to obtain stability data. Results of the study showed that slope angle influenced the direction of travel of the escaping gas, and that the depth of burial affected sensitivity to slope angle. Theoretical models developed from the experimental data have accurately mapped deformations and stress states during testing. Further research is being conducted to investigate the influence of the size, shape, and placement of the hydrates. 30 refs., 15 figs.

  16. Trajectory study of dissociation reactions. The single-ensemble method. II

    Science.gov (United States)

    Kutz, H. Douglas; Burns, George

    1981-04-01

    The single uniform ensemble method was previously employed in 3D classical trajectory calculations [H. D. Kutz and G. Burns, J. Chem. Phys. 72, 3652 (1980)]. Presently it is applied to the Br2+Ar system to study nonequilbrium effects in diatom dissociation over a wide temperature range. It was found that, for a given large set of trajectories, observables, such as reaction cross sections or rate constants, are indepedent within four significant figures of the initial distribution function. This indicates a high degree of reliability of the single uniform ensemble method, once the choice of a set of trajectories is made. In order to study dissociation from the low lying energy states, the uniform velocity selection method in trajectory calculations was used. It was found that dissociation from these states contributes but little to the overall dissociation reaction. The latter finding is consistent with the attractive nature of the potential energy surface used, and constitutes an argument against those current theories of diatom dissociation reaction which explains experimental data by postulating a high probability of dissociation from low lying energy states of diatoms. It was found that the contribution from the low lying states to dissociation can be estimated with good accuracy using information theory expressions. Temperature dependence of nonequilibrium effects was investigated between 1 500 and 6 000 °K. In this range the nonequilibrium correction factor varies between 0.2 and 0.5. Angular momentum dependence of such observables as reaction rate constant and reaction cross section was investigated.

  17. 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.

  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. Ion-momentum imaging of dissociative electron attachment dynamics in acetylene

    CERN Document Server

    Fogle, M; Landers, A L; Orel, A E; Rescigno, T N

    2014-01-01

    We present experimental results for dissociative electron attachment to acetylene near the 3 eV $^2\\Pi_g$ resonance. In particular, we use an ion-momentum imaging technique to investigate the dissociation channel leading to C$_2$H$^-$ fragments. From our measured ion-momentum results we extract fragment kinetic energy and angular distributions. We directly observe a significant dissociation bending dynamic associated with the formation of the transitory negative ion. In modeling this bending dynamic with \\emph{ab initio} electronic structure and fixed-nuclei scattering calculations we obtain good agreement with the experiment.

  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.

  1. An exploration of the influence of diagonal dissociation and moderate changes in speed on locomotor parameters in trotting horses

    Directory of Open Access Journals (Sweden)

    Sarah Jane Hobbs

    2016-06-01

    Full Text Available Background. Although the trot is described as a diagonal gait, contacts of the diagonal pairs of hooves are not usually perfectly synchronized. Although subtle, the timing dissociation between contacts of each diagonal pair could have consequences on gait dynamics and provide insight into the functional strategies employed. This study explores the mechanical effects of different diagonal dissociation patterns when speed was matched between individuals and how these effects link to moderate, natural changes in trotting speed. We anticipate that hind-first diagonal dissociation at contact increases with speed, diagonal dissociation at contact can reduce collision-based energy losses and predominant dissociation patterns will be evident within individuals. Methods. The study was performed in two parts: in the first 17 horses performed speed-matched trotting trials and in the second, five horses each performed 10 trotting trials that represented a range of individually preferred speeds. Standard motion capture provided kinematic data that were synchronized with ground reaction force (GRF data from a series of force plates. The data were analyzed further to determine temporal, speed, GRF, postural, mass distribution, moment, and collision dynamics parameters. Results. Fore-first, synchronous, and hind-first dissociations were found in horses trotting at (3.3 m/s ± 10%. In these speed-matched trials, mean centre of pressure (COP cranio-caudal location differed significantly between the three dissociation categories. The COP moved systematically and significantly (P = .001 from being more caudally located in hind-first dissociation (mean location = 0.41 ± 0.04 through synchronous (0.36 ± 0.02 to a more cranial location in fore-first dissociation (0.32 ± 0.02. Dissociation patterns were found to influence function, posture, and balance parameters. Over a moderate speed range, peak vertical forelimb GRF had a strong relationship with dissociation

  2. Muon capture at PSI

    CERN Document Server

    Winter, Peter

    2010-01-01

    Measuring the rate of muon capture in hydrogen provides one of the most direct ways to study the axial current of the nucleon. The MuCap experiment uses a negative muon beam stopped in a time projection chamber operated with ultra-pure hydrogen gas. Surrounded by a decay electron detector, the lifetime of muons in hydrogen can be measured to determine the singlet capture rate Lambda_s to a final precision of 1%. The capture rate determines the nucleon's pseudoscalar form factor g_p. A first result, g_p = 7.3 +- 1.1, has been published and the final analysis of the full statistics will reduce the error by a factor of up to 3. Muon capture on the deuteron probes the weak axial current in the two-nucleon system. Within the framework of effective field theories the calculation of such two-nucleon processes involving the axial current requires the knowledge of one additional low energy constant which can be extracted from the doublet capture rate Lambda_d. The same constant then allows to model-independently calcu...

  3. Muon capture in deuterium

    Science.gov (United States)

    Ricci, P.; Truhlík, E.; Mosconi, B.; Smejkal, J.

    2010-06-01

    Model dependence of the capture rates of the negative muon capture in deuterium is studied starting from potential models and the weak two-body meson exchange currents constructed in the tree approximation and also from an effective field theory. The tree one-boson exchange currents are derived from the hard pion chiral Lagrangians of the NΔπρωa system. If constructed in conjunction with the one-boson exchange potentials, the capture rates can be calculated consistently. On the other hand, the effective field theory currents, constructed within the heavy baryon chiral perturbation theory, contain a low energy constant d that cannot be extracted from data at the one-particle level nor determined from the first principles. Comparative analysis of the results for the doublet transition rate allows us to extract the constant d.

  4. 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.

  5. 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

  6. 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.

  7. 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.

  8. Threshold collision induced dissociation experiment for azobenzene and its derivatives

    Science.gov (United States)

    Rezaee, Mohammadreza; Compton, Robert

    In this study we investigated protonated azobenzene cation and properties of trans 2,2',6,6'-tetrafluoroazobenzene anion using the collision induced dissociation method and the results are compared with the results from ab initio electronic structure calculations. We measured the bond dissociation energies experimentally and found which theoretical quantum chemistry methods yield best results. Several high accuracy multi-level calculations such as CBS-QB3, G3 and G4 had been carried out to obtain reliable thermochemical information for azobenzene and several of its derivatives and their anion or cation. We also performed other experiments such as Raman spectroscopy to study these light sensitive molecules with promising applications such as photo-switching.

  9. 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.

  10. Process dissociation, single-process theories, and recognition memory.

    Science.gov (United States)

    Ratcliff, R; Van Zandt, T; McKoon, G

    1995-12-01

    According to the assumptions of L. L. Jacoby's (1991) process dissociation method, performance in recognition memory is determined by the combination of an unconscious familiarity process and a conscious intentional recollection process. The process dissociation method is used to produce estimates of the contributions of the 2 components to recognition performance. This article investigates whether the method provides the correct estimates of components if performance actually depends on only a single process or on 2 processes different from those assumed by the method. The SAM model (G. Gillund & R. M. Shiffrin, 1984) was used to produce simulated data based on a single process. Variants of SAM with 2 processes and R. C. Atkinson and J. F. Juola's (1973) 2-process model were used to produce data based on 2 processes.

  11. 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.

  12. Dissociable yet tied inhibitory processes: the structure of inhibitory control.

    Science.gov (United States)

    Michael, George A; Mizzi, Raphaël; Couffe, Cyril; Gálvez-García, Germán

    2014-09-01

    Cognitive and neural models have proposed the existence of a single inhibitory process that regulates behavior and depends on the right frontal operculum (rFO). The aim of this study was to make a contribution to the ongoing debate as to whether inhibition is a single process or is composed of multiple, independent processes. Here, within a single paradigm, we assessed the links between two inhibitory phenomena-namely, resistance to involuntary visual capture by abrupt onsets and resolving of spatial stimulus-response conflict. We did so by conducting three experiments, two involving healthy volunteers (Exps. 1 and 3), and one with the help of a well-documented patient, R.J., with selectively weakened inhibition following a lesion of the rFO. The results suggest that resistance to capture and stimulus-response conflict are independent, because (a) additive effects were found (Exps. 1 and 3), (b) capture did not correlate with compatibility effects (Exp. 1), (c) dual tasking affected the two phenomena differently (Exp. 3), and (d) a dissociation was found between the two in patient R.J. (Exp. 2). However, the results also show that these two phenomena may share some processing components, given that (a) both were affected in patient R.J., but to different degrees (Exp. 2), and (b) increasing the difficulty of dual tasking produced an increasingly negative correlation between capture and compatibility (Exp. 3), which suggests that when resources are withdrawn from the control of the former, they are used to control the latter.

  13. CO2 capture from simulated fuel gas mixtures using semiclathrate hydrates formed by quaternary ammonium salts.

    Science.gov (United States)

    Park, Sungwon; Lee, Seungmin; Lee, Youngjun; Seo, Yongwon

    2013-07-02

    In order to investigate the feasibility of semiclathrate hydrate-based precombustion CO2 capture, thermodynamic, kinetic, and spectroscopic studies were undertaken on the semiclathrate hydrates formed from a fuel gas mixture of H2 (60%) + CO2 (40%) in the presence of quaternary ammonium salts (QASs) such as tetra-n-butylammonium bromide (TBAB) and fluoride (TBAF). The inclusion of QASs demonstrated significantly stabilized hydrate dissociation conditions. This effect was greater for TBAF than TBAB. However, due to the presence of dodecahedral cages that are partially filled with water molecules, TBAF showed a relatively lower gas uptake than TBAB. From the stability condition measurements and compositional analyses, it was found that with only one step of semiclathrate hydrate formation with the fuel gas mixture from the IGCC plants, 95% CO2 can be enriched in the semiclathrate hydrate phase at room temperature. The enclathration of both CO2 and H2 in the cages of the QAS semiclathrate hydrates and the structural transition that results from the inclusion of QASs were confirmed through Raman and (1)H NMR measurements. The experimental results obtained in this study provide the physicochemical background required for understanding selective partitioning and distributions of guest gases in the QAS semiclathrate hydrates and for investigating the feasibility of a semiclathrate hydrate-based precombustion CO2 capture process.

  14. Simulation of gas hydrate dissociation caused by repeated tectonic uplift events

    Science.gov (United States)

    Goto, Shusaku; Matsubayashi, Osamu; Nagakubo, Sadao

    2016-05-01

    Gas hydrate dissociation by tectonic uplift is often used to explain geologic and geophysical phenomena, such as hydrate accumulation probably caused by hydrate recycling and the occurrence of double bottom-simulating reflectors in tectonically active areas. However, little is known of gas hydrate dissociation resulting from tectonic uplift. This study investigates gas hydrate dissociation in marine sediments caused by repeated tectonic uplift events using a numerical model incorporating the latent heat of gas hydrate dissociation. The simulations showed that tectonic uplift causes upward movement of some depth interval of hydrate-bearing sediment immediately above the base of gas hydrate stability (BGHS) to the gas hydrate instability zone because the sediment initially maintains its temperature: in that interval, gas hydrate dissociates while absorbing heat; consequently, the temperature of the interval decreases to that of the hydrate stability boundary at that depth. Until the next uplift event, endothermic gas hydrate dissociation proceeds at the BGHS using heat mainly supplied from the sediment around the BGHS, lowering the temperature of that sediment. The cumulative effects of these two endothermic gas hydrate dissociations caused by repeated uplift events lower the sediment temperature around the BGHS, suggesting that in a marine area in which sediment with a highly concentrated hydrate-bearing layer just above the BGHS has been frequently uplifted, the endothermic gas hydrate dissociation produces a gradual decrease in thermal gradient from the seafloor to the BGHS. Sensitivity analysis for model parameters showed that water depth, amount of uplift, gas hydrate saturation, and basal heat flow strongly influence the gas hydrate dissociation rate and sediment temperature around the BGHS.

  15. CO2地质封存机理--从实验研究角度综述%A Review of Laboratory Investigation for Mechanisms of CO2 Capture and Geologic Storage (CCGS)

    Institute of Scientific and Technical Information of China (English)

    谢健; 赵可英; 曾小雪

    2016-01-01

    CO2 capture and geologic storage (CCGS) is regarded as an effective strategy for reduction of anthropogenic carbon release and mitigation of global warming. Typical methodologies and theories regarding CCGS laboratory investigation are reviewed. The coupled physical-geochemical processes in relation to four mechanisms of CO2 geologic sequestration are introduced. Findings from core flood experiments such as relationship between CO2 saturation and permeability are included. Multiphase flow apparatus with procedures for laboratory investigation are introduced. A collection of methodologies (equations) for calculation of CCGS-related physical parameters are presented, followed by a brief introduction of petrophysical characterization and geochemical tests. Problems or research opportunities are discussed regarding the current CCGS laboratory work. The paper ends up with suggestion remarks.%CO2地质封存是减少碳排放和减缓气候变暖的一种有效措施。本文综述了CO2地质封存研究的内容、方法、手段及其相关理论和研究成果。阐述 CO2地质封存的四种碳封存机制背后的物理、地球化学过程,CO2注入试验饱和度分布和渗透率的关系等;简要介绍了岩心驱替试验装置和岩石物理分析和化学分析方法及有关参数的计算。指出现有研究存在岩心–次岩心尺度的微观实验研究和反应性迁移模拟研究不足等问题。

  16. Neutron capture therapies

    Energy Technology Data Exchange (ETDEWEB)

    Yanch, Jacquelyn C. (Cambridge, MA); Shefer, Ruth E. (Newton, MA); Klinkowstein, Robert E. (Winchester, MA)

    1999-01-01

    In one embodiment there is provided an application of the .sup.10 B(n,.alpha.).sup.7 Li nuclear reaction or other neutron capture reactions for the treatment of rheumatoid arthritis. This application, called Boron Neutron Capture Synovectomy (BNCS), requires substantially altered demands on neutron beam design than for instance treatment of deep seated tumors. Considerations for neutron beam design for the treatment of arthritic joints via BNCS are provided for, and comparisons with the design requirements for Boron Neutron Capture Therapy (BNCT) of tumors are made. In addition, exemplary moderator/reflector assemblies are provided which produce intense, high-quality neutron beams based on (p,n) accelerator-based reactions. In another embodiment there is provided the use of deuteron-based charged particle reactions to be used as sources for epithermal or thermal neutron beams for neutron capture therapies. Many d,n reactions (e.g. using deuterium, tritium or beryllium targets) are very prolific at relatively low deuteron energies.

  17. Neutron capture therapies

    Energy Technology Data Exchange (ETDEWEB)

    Yanch, J.C.; Shefer, R.E.; Klinkowstein, R.E.

    1999-11-02

    In one embodiment there is provided an application of the {sup 10}B(n,{alpha}){sup 7}Li nuclear reaction or other neutron capture reactions for the treatment of rheumatoid arthritis. This application, called Boron Neutron Capture Synovectomy (BNCS), requires substantially altered demands on neutron beam design than for instance treatment of deep seated tumors. Considerations for neutron beam design for the treatment of arthritic joints via BNCS are provided for, and comparisons with the design requirements for Boron Neutron Capture Therapy (BNCT) of tumors are made. In addition, exemplary moderator/reflector assemblies are provided which produce intense, high-quality neutron beams based on (p,n) accelerator-based reactions. In another embodiment there is provided the use of deuteron-based charged particle reactions to be used as sources for epithermal or thermal neutron beams for neutron capture therapies. Many d,n reactions (e.g. using deuterium, tritium or beryllium targets) are very prolific at relatively low deuteron energies.

  18. 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

  19. 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

  20. Importance of Primary Capture and L-Selectin–Dependent Secondary Capture in Leukocyte Accumulation in Inflammation and Atherosclerosis in Vivo

    OpenAIRE

    2001-01-01

    In the multistep process of leukocyte extravasation, the mechanisms by which leukocytes establish the initial contact with the endothelium are unclear. In parallel, there is a controversy regarding the role for L-selectin in leukocyte recruitment. Here, using intravital microscopy in the mouse, we investigated leukocyte capture from the free flow directly to the endothelium (primary capture), and capture mediated through interactions with rolling leukocytes (secondary capture) in venules, in ...

  1. 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.

  2. 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.

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

    Science.gov (United States)

    Hoang Viet, Man; Derreumaux, Philippe; Li, Mai Suan; Roland, Christopher; Sagui, Celeste; Nguyen, Phuong H

    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.

  4. 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.

  5. 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.

  6. 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.

  7. 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.

  8. 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

  9. Dissociable effects of valence and arousal in adaptive executive control.

    Directory of Open Access Journals (Sweden)

    Christof Kuhbandner

    Full Text Available BACKGROUND: Based on introspectionist, semantic, and psychophysiological experimental frameworks, it has long been assumed that all affective states derive from two independent basic dimensions, valence and arousal. However, until now, no study has investigated whether valence and arousal are also dissociable at the level of affect-related changes in cognitive processing. METHODOLOGY/PRINCIPAL FINDINGS: We examined how changes in both valence (negative vs. positive and arousal (low vs. high influence performance in tasks requiring executive control because recent research indicates that two dissociable cognitive components are involved in the regulation of task performance: amount of current control (i.e., strength of filtering goal-irrelevant signals and control adaptation (i.e., strength of maintaining current goals over time. Using a visual pop-out distractor task, we found that control is exclusively modulated by arousal because interference by goal-irrelevant signals was largest in high arousal states, independently of valence. By contrast, control adaptation is exclusively modulated by valence because the increase in control after trials in which goal-irrelevant signals were present was largest in negative states, independent of arousal. A Monte Carlo simulation revealed that differential effects of two experimental factors on control and control adaptation can be dissociated if there is no correlation between empirical interference and conflict-driven modulation of interference, which was the case in the present data. Consequently, the observed effects of valence and arousal on adaptive executive control are indeed dissociable. CONCLUSIONS/SIGNIFICANCE: These findings indicate that affective influences on cognitive processes can be driven by independent effects of variations in valence and arousal, which may resolve several heterogeneous findings observed in previous studies on affect-cognition interactions.

  10. 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.

  11. 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.

  12. Capture Matrices Handbook

    Science.gov (United States)

    2014-04-01

    changing the affinity ligand, we can use capture matrices to detect other chemicals such as chlorinated solvents, nerve and blister agents, pesticides...require significant chemical additives and complex equipment, generate a large secondary waste stream, and are difficult to automate. Magnetically...secondary wastes . 2 Other advantages are a large active surface area for a given mass of particles; the ability to process a solution that

  13. Formation of anions and cations via a binary-encounter process in OH$^+$ + Ar collisions: the role of dissociative excitation and statistical aspects

    CERN Document Server

    Lattouf, E; Chesnel, J -Y; Kovács, S T S; Bene, E; Herczku, P; Huber, B A; Méry, A; Poully, J -C; Rangama, J; Sulik, B

    2015-01-01

    Molecular fragmentation leading to the formation of negatively and positively charged hydrogen ions in 7-keV OH$^+$ + Ar collisions is investigated experimentally. The most striking finding is that negative and positive hydrogen ions are emitted with very similar angular dependences. Also, the kinetic energy distribution of the H$^+$ fragment shows strong similarities with that of the ejected H$^-$ ion. The kinematics of the emitted H core is found to be essentially driven by its scattering on the atomic target. However, in addition to this binary-encounter process, dissociative electronic excitation of the molecular projectile has to be invoked to explain the observed fragmentation patterns. Though the electron capture process is complex, it is shown that the relative population of the different final charge states of the outgoing fragments can be described by simple statistical laws.

  14. Dissociation in virtual reality: depersonalization and derealization

    Science.gov (United States)

    Garvey, Gregory P.

    2010-01-01

    This paper looks at virtual worlds such as Second Life7 (SL) as possible incubators of dissociation disorders as classified by the Diagnostic and Statistical Manual of Mental Disorders, 4th Edition3 (also known as the DSM-IV). Depersonalization is where "a person feels that he or she has changed in some way or is somehow unreal." Derealization when "the same beliefs are held about one's surroundings." Dissociative Identity Disorder (DID), previously known as multiple personality disorder fits users of Second Life who adopt "in-world" avatars and in effect, enact multiple distinct identities or personalities (known as alter egos or alters). Select questions from the Structured Clinical Interview for Depersonalization (SCI-DER)8 will be discussed as they might apply to the user's experience in Second Life. Finally I would like to consider the hypothesis that rather than a pathological disorder, dissociation is a normal response to the "artificial reality" of Second Life.

  15. 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.

  16. Capturing the Future: Direct and Indirect Probes of Neutron Capture

    Energy Technology Data Exchange (ETDEWEB)

    Couture, Aaron Joseph [Los Alamos National Lab. (LANL), Los Alamos, NM (United States)

    2016-08-31

    This report documents aspects of direct and indirect neutron capture. The importance of neutron capture rates and methods to determine them are presented. The following conclusions are drawn: direct neutron capture measurements remain a backbone of experimental study; work is being done to take increased advantage of indirect methods for neutron capture; both instrumentation and facilities are making new measurements possible; more work is needed on the nuclear theory side to understand what is needed furthest from stability.

  17. 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...

  18. 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.

  19. Efficient noble metal nanocatalysts supported on HfC(001) for O2 dissociation

    Science.gov (United States)

    Wang, Shiyan; Zhang, Xilin; Zhang, Yanxing; Mao, Jianjun; Yang, Zongxian

    2017-03-01

    The adsorption and dissociation of O2 on the M4 (M=Au, Pd, Pt) clusters supported on HfC(001) (Hafnium Carbide) are investigated using ab initio density functional theory calculations. The geometric and electronic structures are analyzed in detail. It is found that the dissociation barriers of O2 on Au4/HfC(001) (0.26 eV), Pd4/HfC(001) (0.49 eV) and Pt4/HfC(001) (0.09 eV) are much smaller than those on the clean surfaces of HfC(001) (1.60 eV), Au(111) (1.37 eV), Pd(111) (1.0 and 0.91 eV) and Pt(111) (0.27-0.7 eV), respectively. The low dissociation barriers imply that the Pt4/HfC(001) exhibits the highest catalytic activity for O2 dissociation, and the Au4/HfC(001) and Pd4/HfC(001) may also be possible substitutes with lower cost for the current Pt/C catalyst for O2 dissociation. The present study is conductive to designing new efficient noble metal catalyst using HfC support for efficiently promoting O2 dissociation.

  20. 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.

  1. 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.

  2. Dissociative identity disorder: a literature review.

    Science.gov (United States)

    McAllister, M M

    2000-01-01

    This paper presents a review of the literature into dissociative identity disorder. This disorder, previously known as multiple personality disorder, is increasingly diagnosed, in part because of more focused diagnostic tools, but also because people are accessing services to assist with the longterm problems of early child abuse and neglect. Dissociative identity disorder is examined in the literature according to a variety of discourses, each of which suggest different ways of conceptualizing problems and therapeutic approaches. These discourses reviewed include: psychiatry, psychology, corporeality, feminism, social constructivism, anthropology, and postmodernism. The paper concludes with an examination of the nursing literature and suggests opportunities for nursing research into this complex mental health problem.

  3. 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.

  4. 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....

  5. Capturing Near Earth Objects

    OpenAIRE

    Baoyin, Hexi; CHEN Yang; Li, Junfeng

    2011-01-01

    Recently, Near Earth Objects (NEOs) have been attracting great attention, and thousands of NEOs have been found to date. This paper examines the NEOs' orbital dynamics using the framework of an accurate solar system model and a Sun-Earth-NEO three-body system when the NEOs are close to Earth to search for NEOs with low-energy orbits. It is possible for such an NEO to be temporarily captured by Earth; its orbit would thereby be changed and it would become an Earth-orbiting object after a small...

  6. Gate manipulation of DNA capture into nanopores.

    Science.gov (United States)

    He, Yuhui; Tsutsui, Makusu; Fan, Chun; Taniguchi, Masateru; Kawai, Tomoji

    2011-10-25

    Understanding biophysics governing DNA capture into a nanopore and establishing a manipulation system for the capture process are essential for nanopore-based genome sequencing. In this work, the functionality of extended electric field and electroosmotic flow (EOF) during the capture stage and their dependence on gate voltage, U(G), are investigated. We demonstrate that while both the electric field and EOF within a cis chamber make long-distance contributions to DNA capture around the pore mouth, the former effect is always capturing, while the latter causes trapping or blocking of the molecule depending on the magnitude of the gate voltage, U(G): an anionic EOF induced by high U(G) is capable of doubling the DNA trapping speed and thus the absorption radius in the cis chamber, whereas a cationic EOF by low U(G) would substantially offset the trapping effort by the electric field and even totally block DNA entrance into the pore. Based on the analysis, a gate regulation is proposed with the objective of achieving a high DNA capture rate while maintaining a low error rate.

  7. 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)

  8. Dissociation between skin test reactivity and anti-aeroallergen IgE: Determinants among urban Brazilian children

    Science.gov (United States)

    Veiga, Rafael V.; Ponte, João C. M.; da Cunha, Sérgio S.; Simões, Silvia M.; Cruz, Álvaro A.; Yazdanbakhsh, Maria; Matos, Sheila M.; Silva, Thiago Magalhães; Figueiredo, Camila A.; Rodrigues, Laura C.; Fiaccone, Rosemeire L.; Cooper, Philip J.; Barreto, Maurício L.

    2017-01-01

    Background The dissociation between specific IgE and skin prick test reactivity to aeroallergens, a common finding in populations living in low and middle-income countries, has important implications for the diagnosis and treatment of allergic diseases. Few studies have investigated the determinants of this dissociation. In the present study, we explored potential factors explaining this dissociation in children living in an urban area of Northeast Brazil, focusing in particular on factors associated with poor hygiene. Methods Of 1445 children from low income communities, investigated for risk factors of allergies, we studied 481 with specific IgE antibodies to any of Blomia tropicalis, Dermatophagoides pteronyssinus, Periplaneta americana and Blatella germanica allergens. Data on demographic, environmental and social exposures were collected by questionnaire; serum IgG and stool examinations were done to detect current or past infections with viral, bacterial, protozoan and intestinal helminth pathogens. We measured atopy by skin prick testing (SPT) and specific IgE (sIgE) to aerollergens in serum (by ImmunoCAP). SIgE reactivity to B. tropicalis extract depleted of carbohydrates was measured by an in-house ELISA. Total IgE was measured by in house capture ELISA. SNPs were typed using Illumina Omni 2.5. Results Negative skin prick tests in the presence of specific IgE antibodies were frequent. Factors independently associated with a reduced frequency of positive skin prick tests were large number of siblings, the presence of IgG to herpes simplex virus, Ascaris lumbricoides and Trichuris trichiura infections, living in neighborhoods with infrequent garbage collection, presence of rodents and cats in the household and sIgE reactivity to glycosylated B. tropicalis allergens. Also, SNP on IGHE (rs61737468) was negatively associated with SPT reactivity. Conclusions A variety of factors were found to be associated with decreased frequency of SPT such as unhygienic

  9. 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.

  10. 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....

  11. TRAUMATIC SCAPHO LUNATE DISSOCIATION – A CASE REPORT

    Directory of Open Access Journals (Sweden)

    Suresh Gandhi

    2014-02-01

    Full Text Available Scapholunate dissociation is the most common carpal instability . We are presenting an interesting case of a 24yr old male with scapholunate instability following trauma . Appropriate investigations were done and surgical intervention was done on the same day . The ruptured ligaments were repa ired and bony components scapho lunate and scaphocapitate were corrected and fixed . Patient was immobilized in plaster for 8 weeks following which active mobilization exercises were started . The functional results were excellent and we have reporte d them using the mayo wrist score .

  12. 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 ...

  13. 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.

  14. 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

  15. 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

  16. 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.

  17. Dissociation coloured quarks and inclusive scattering

    CERN Document Server

    Bartelski, J

    1974-01-01

    A simple parton model of the nucleon built up of three-triplet quarks dissociated into the Gell-Mann-Zweig quarks and 'coloured' gluons is considered. It is shown that the model is consistent with SLAC-MIT and CERN data for inclusive scattering. (21 refs).

  18. Subliminal processes, dissociation and the 'I'.

    Science.gov (United States)

    Bob, Petr

    2003-06-01

    The study of unconscious processes leads to the hypothesis of the limit of consciousness, which involves two main kinds of psychic activity. The first represents psychic contents which are subliminal for their low energy, the second subliminal contents which are inaccessible to consciousness because they are dissociated in the subliminal region. Dissociation is a concept introduced by Pierre Janet for splitting consciousness due to traumatic events or during hypnosis. It takes a more general form in Hilgard's neo-dissociation theory of hypnotic phenomena and also in Jung's theory of the collective unconscious. Further generalization links it to the modern findings of explicit and implicit perception, leading to a shift in dissociation from hypothesis to clinical, experimental and theoretical reality. Studies in hypnosis also point to the existence of an integrative psychic entity, that comprises the conscious 'I'. Hilgard called this the hidden observer, and his findings represent empirical confirmation of Jung's term for the Self as mirror 'I', which leads to many important consequences for self-discovery and the meaning of life.

  19. 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.

  20. 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.

  1. 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.

  2. Yukawa-dissociation and the deuteron binding energy

    Energy Technology Data Exchange (ETDEWEB)

    Jacobsen, T.

    1997-05-01

    It is shown that energy must be conserved by the dissociation of an elementary particle. The energy deficit by a dissociation behaves as a basic concept. The binding energy of the deuteron is reproduced. 4 refs.

  3. 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.

  4. Neutron capture reactions at DANCE

    Science.gov (United States)

    Bredeweg, T. A.

    2008-05-01

    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 (>~100 μg) and/or radioactive (DANCE we have performed neutron capture cross section measurements on a wide array of medium to heavy mass nuclides. Measurements to date include neutron capture cross sections on 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.

  5. 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.

  6. [Investigation of human papillomavirus prevalence in women in Eskişehir, Turkey by Pap smear, hybrid capture 2 test and consensus real-time polymerase chain reaction and typing with pyrosequencing method].

    Science.gov (United States)

    Aslan, Ferhat Gürkan; Us, Tercan; Kaşifoğlu, Nilgün; Özalp, Sabit Sinan; Akgün, Yurdanur; Öge, Tufan

    2016-01-01

    Human papillomavirus (HPV) infections have a broad range of clinical spectrum from subclinical or asymptomatic infection to anogenital carcinoma. The detection of HPV-DNA and determination of the risk groups in cervical cancer (CC) screening is very important because CC is considered to be a preventable illness which is the third most common cancer type of women in the world. The aims of this study were to investigate the presence of HPV-DNA in women by two different molecular methods and to compare their results together with the results of cytology, in Eskişehir, Central Anatolia, Turkey. A total of 1081 women aged between 30-65 years, who applied to Eskişehir Early Diagnosis, Screening and Training of Cancer Center (KETEM) for screening were included in the study. Three separate cervical samples were collected simultaneously from the participants for cytologic examination and molecular studies. In the first step of the study, all cervical samples were investigated for the presence of HPV-DNA by Hybrid Capture 2 (HC2; Qiagen, Germany) method. In the second part of the study, consensus real-time polymerase chain reaction (RT-PCR) (Takara Bio Inc., Japan) was performed in 152 samples which included HC2 positive and randomly selected negative samples, and then the HPV genotypes were detected by using a commercial kit based on pyrosequencing method (Diatech Pharmacogenetics S.R.L, Italy). In the first part of the study, HC2 test was found positive in 3% (32/1081) of the women, while in 4.4% (47/1081) Pap smear was positive alone or with HC2 test. Five (0.5%) samples yielded positive results with both of the methods, and four of them were positive for high risk HPV types. Cytology results were negative in 19 out of 23 (23/1081, 2.1%) samples that were reported as high risk HPV by HC2 test. On the other hand, 42 (42/1081, 3.9%) samples that were positive by cytology yielded negative results by HC2 test. In the second part of the study, 32 (21.1%) of 152 selected

  7. 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.

  8. Capturing the uncultivated majority

    Energy Technology Data Exchange (ETDEWEB)

    Green, Brian D.; Keller, Martin

    2007-04-02

    The metagenomic analysis of environmental microbialcommunities continues to be a rapidly developing area of study. DNAisolation, the first step in capturing the uncultivated majority, hasseen many advances in recent years. Protocols have been developed todistinguish DNA from live versus dead cells and to separate extracellularfrom intracellular DNA. Looking to increase our understanding of the rolethat members of a microbial community play in ecological processes,several techniques have been developed that are enabling greater indepthanalysis of environmental metagenomes. These include the development ofenvironmental gene tags and the serial analysis of 16S rRNA gene sequencetags. In addition, new screening methods have been designed to select forspecific functional genes within metagenomic libraries. Finally, newcultivation methods continue to be developed to improve our ability tocapture a greater diversity of microorganisms within theenvironment.

  9. 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.

  10. 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…

  11. 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.

  12. Dissociation kinetics of the thyrotropin-receptor complex. Characterization of a slowly dissociable component.

    Science.gov (United States)

    Powell-Jones, C H; Saltiel, A R; Thomas, C G; Nayfeh, S N

    1981-11-01

    The kinetics of the dissociation of thyrotropin (TSH) from human thyroid plasma membranes were studied in an attempt to further understand the molecular dynamics of the TSH--receptor interaction. Dissociation of bound [125I]TSH from thyroid plasma membranes was a biphasic process consisting of rapidly and slowly dissociable components, RDC and SDC, respectively. The dilution induced dissociation of bound [125I]TSH was enhanced by the addition of excess TSH (DEC). DEC was proportional to the dose of unlabeled TSH and its magnitude increased linearly with temperature. These results are in contrast to those reported for the kinetics of [125I]insulin dissociation. The functional significance of DEC remains largely unexplained. It was found that the fraction of SDC was dependent upon time of association in a temperature-dependent and apparently saturable process. It could not be attributed to alterations in the electrophoretic, immunologic or binding properties of [125I]TSH. Furthermore, no correlation was observed between generation of SDC and change in the Scatchard profile of TSH binding, in contrast to studies on growth hormone. These data suggest that, like some other polypeptide hormones, binding of TSH to its receptor does not proceed according to laws describing simple, rapidly reversible, bimolecular reactions. Furthermore, bound TSH undergoes a receptor-mediated conversion from a rapidly to a slowly dissociable state with time of incubation.

  13. First-Principles Modeling of Direct versus Oxygen-Assisted Water Dissociation on Fe(100 Surfaces

    Directory of Open Access Journals (Sweden)

    Wenju Wang

    2016-02-01

    Full Text Available The O–H bond breaking in H2O molecules on metal surfaces covered with pre-adsorbed oxygen atoms is an important topic in heterogeneous catalysis. The adsorption configurations of H2O and relevant dissociation species on clean and O-pre-adsorbed Fe(100 surfaces were investigated by density functional theory (DFT. The preferential sites for H2O, HO, O, and H were investigated on both surfaces. Both the first H abstraction from adsorbed H2O and the subsequent OH dissociation are exothermic on the O-pre-adsorbed Fe(100 surface. However, the pre-adsorbed O significantly reduces the kinetics energy barriers for both reactions. Our results confirmed that the presence of pre-adsorbed oxygen species could significantly promote H2O dissociation.

  14. Cognitive Processes in Dissociation: Comment on Giesbrecht et al. (2008)

    Science.gov (United States)

    Bremner, J. Douglas

    2010-01-01

    In their recent review "Cognitive Processes in Dissociation: An Analysis of Core Theoretical Assumptions," published in "Psychological Bulletin", Giesbrecht, Lynn, Lilienfeld, and Merckelbach (2008) have challenged the widely accepted trauma theory of dissociation, which holds that dissociative symptoms are caused by traumatic stress. In doing so,…

  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. Thermal-neutron capture gamma rays from natural calcium

    NARCIS (Netherlands)

    Gruppelaar, H.; Spilling, P.

    1967-01-01

    Gamma rays from thermal-neutron capture in natural Ca and enriched 40Ca were investigated with a 5 cm3 Ge(Li) detector. Many low-energy γ-lines have been found. More than 90% of the γ-rays result from capture in 40Ca and about 5% from capture in 44Ca. From the data a decay scheme of 41Ca and a parti

  18. 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.

  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. 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

  1. Electromagnetic dissociation of relativistic [sup 28]Si by nucleon emission

    Energy Technology Data Exchange (ETDEWEB)

    Sonnadara, U.J.

    1992-12-01

    A detailed study of the electromagnetic dissociation of [sup 28]Si by nucleon emission at E[sub lab]/A = 14.6 (GeV/nucleon was carried out with [sup 28]Si beams interacting on [sup 208]Pb). [sup 120]Sn. [sup 64]C targets. The measurements apparatus consists of detectors in the target area which measure the energy and charged multiplicity, and a forward spectrometer which measures the position, momentum and energy of the reaction fragments. The exclusive electromagnetic dissociation cross sections for decay channels having multiple nucleons in the final state have been measured which enables the selection of events produced in pure electromagnetic interactions. The measured cross sections agree well with previous measurements obtained for the removal of a few nucleons as well as with measurements on total charge removal cross sections from other experiments. The dependence of the integrated cross sections on the target charge Z[sub T] and the target mass AT confirms that for higher Z targets the excitation is largely electromagnetic. Direct measurements of the excitation energy for the electromagnetic dissociation of [sup 28]Si [yields] p+[sup 27]Al and [sup 28]Si [yields] n+[sup 27]Si have been obtained through a calculation of the invariant mass in kinematically, reconstructed events. The excitation energy spectrum for all targets peak near the isovector giant dipole resonance in [sup 28]Si. These distributions are well reproduced by combining the photon spectrum calculated using the Weizsaecker-Williams approximation with the experimental data on the photonuclear [sup 28]Si([sub [gamma],p])[sup 27]Al and [sup 28]Si([sub [gamma],n])[sup 27]Si. The possibilities of observing double giant dipole resonance excitations in [sup 28]Si have been investigated with cross section measurements as well as with excitation energy reconstruction.

  2. Electromagnetic dissociation of relativistic {sup 28}Si by nucleon emission

    Energy Technology Data Exchange (ETDEWEB)

    Sonnadara, U.J.

    1992-12-01

    A detailed study of the electromagnetic dissociation of {sup 28}Si by nucleon emission at E{sub lab}/A = 14.6 (GeV/nucleon was carried out with {sup 28}Si beams interacting on {sup 208}Pb). {sup 120}Sn. {sup 64}C targets. The measurements apparatus consists of detectors in the target area which measure the energy and charged multiplicity, and a forward spectrometer which measures the position, momentum and energy of the reaction fragments. The exclusive electromagnetic dissociation cross sections for decay channels having multiple nucleons in the final state have been measured which enables the selection of events produced in pure electromagnetic interactions. The measured cross sections agree well with previous measurements obtained for the removal of a few nucleons as well as with measurements on total charge removal cross sections from other experiments. The dependence of the integrated cross sections on the target charge Z{sub T} and the target mass AT confirms that for higher Z targets the excitation is largely electromagnetic. Direct measurements of the excitation energy for the electromagnetic dissociation of {sup 28}Si {yields} p+{sup 27}Al and {sup 28}Si {yields} n+{sup 27}Si have been obtained through a calculation of the invariant mass in kinematically, reconstructed events. The excitation energy spectrum for all targets peak near the isovector giant dipole resonance in {sup 28}Si. These distributions are well reproduced by combining the photon spectrum calculated using the Weizsaecker-Williams approximation with the experimental data on the photonuclear {sup 28}Si({sub {gamma},p}){sup 27}Al and {sup 28}Si({sub {gamma},n}){sup 27}Si. The possibilities of observing double giant dipole resonance excitations in {sup 28}Si have been investigated with cross section measurements as well as with excitation energy reconstruction.

  3. Inertial capture in flow through porous media

    Science.gov (United States)

    Andrade, J. S., Jr.; Araújo, A. D.; Vasconcelos, T. F.; Herrmann, H. J.

    2008-08-01

    We investigate through numerical calculation of non-Brownian particles transported by a fluid in a porous medium, the influence of geometry and inertial effects on the capture efficiency of the solid matrix. In the case of a periodic array of cylinders and under the action of gravity, our results reveal that δ ˜ St, where δ is the particle capture efficiency, and St is the Stokes number. In the absence of gravity, we observe a typical second order transition between non-trapping and trapping of particles that can be expressed as δ ˜ ( St - St c ) α , with an exponent α ≈ 0.5, where St c is the critical Stokes number. We also perform simulations for flow through a random porous structure and confirm that its capture behavior is consistent with the simple periodic model.

  4. 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.

  5. Active suppression after involuntary capture of attention.

    Science.gov (United States)

    Sawaki, Risa; Luck, Steven J

    2013-04-01

    After attention has been involuntarily captured by a distractor, how is it reoriented toward a target? One possibility is that attention to the distractor passively fades over time, allowing the target to become attended. Another possibility is that the captured location is actively suppressed so that attention can be directed toward the target location. The present study investigated this issue with event-related potentials (ERPs), focusing on the N2pc component (a neural measure of attentional deployment) and the Pd component (a neural measure of attentional suppression). Observers identified a color-defined target in a search array, which was preceded by a task-irrelevant cue array. When the cue array contained an item that matched the target color, this item captured attention (as measured both behaviorally and with the N2pc component). This capture of attention was followed by active suppression (indexed by the Pd component), and this was then followed by a reorienting of attention toward the target in the search array (indexed by the N2pc component). These findings indicate that the involuntary capture of attention by a distractor is followed by an active suppression process that presumably facilitates the subsequent voluntary orienting of attention to the target.

  6. Dissociative Part-Dependent Resting-State Activity in Dissociative Identity Disorder : A Controlled fMRI Perfusion Study

    NARCIS (Netherlands)

    Schlumpf, Yolanda R.; Reinders, Antje A. T. S.; Nijenhuis, Ellert R. S.; Luechinger, Roger; van Osch, Matthias J. P.; Jaencke, Lutz

    2014-01-01

    Background: In accordance with the Theory of Structural Dissociation of the Personality (TSDP), studies of dissociative identity disorder (DID) have documented that two prototypical dissociative subsystems of the personality, the "Emotional Part'' (EP) and the "Apparently Normal Part'' (ANP), have d

  7. 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

  8. 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.

  9. 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.

  10. 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.

  11. Enactments and dissociations driven by cultural differences.

    Science.gov (United States)

    Cohen, Etty

    2007-03-01

    Cultural differences between the analytic dyad can foster powerful transference-counter-transference feelings and potentially promote traumatic re-enactments. Those patients who are more directly affected by traumatic experiences may be able to verbalize what has happened to them only if they are convinced that their analysts are "taking in their horror, holding it for them, responding to it emotionally (reenacting) and giving it back in more modulated and containable" manner (Davies, 1997, p. 24). These mutual enactments that emerge in patients and their analysts can be understood as dissociated self-states. Clinical material is presented from the treatment of an African-American inner-city teenager and an Israeli teenage soldier to illustrate the emergence of enactments and dissociation in patient-analyst dyads.

  12. Dissociative Disorders: Between Neurosis and Psychosis

    Directory of Open Access Journals (Sweden)

    C. Devillé

    2014-01-01

    Full Text Available Dissociative disorders are a set of disorders defined by a disturbance affecting functions that are normally integrated with a prevalence of 2.4 percent in industrialised countries. These disorders are often poorly diagnosed or misdiagnosed because of sharing common clinical features with psychotic disorders, but requiring a very different trajectory of care. Repeated clinical situations in a crisis centre in Geneva provided us with a critical overview of current evidence of knowledge in clinical and etiopathological field about dissociative disorders. Because of their multiple expressions and the overlap with psychotic disorders, we focused on the clinical aspects using three different situations to better understand their specificity and to extend our thinking to the relevance of terms “neurosis” and “psychosis.” Finally, we hope that this work might help physicians and psychiatrists to become more aware of this complex set of disorders while making a diagnosis.

  13. 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.

  14. Captured by Aliens

    Science.gov (United States)

    Achenbach, Joel

    2000-03-01

    Captured by Aliens is a long and twisted voyage from science to the supernatural and back again. I hung out in Roswell, N.M., spent time with the Mars Society, met a guy who was figuring out the best way to build a spaceship to go to Alpha Centauri. I visited the set of the X-Files and talked to Mulder and Scully. One day over breakfast I was told by NASA administrator Dan Goldin, We live in a fog, man! He wants the big answers to the big questions. I spent a night in the base of a huge radio telescope in the boondocks of West Virginia, awaiting the signal from the aliens. I was hypnotized in a hotel room by someone who suspected that I'd been abducted by aliens and that this had triggered my interest in the topic. In the last months of his life, I talked to Carl Sagan, who believed that the galaxy riots with intelligent civilizations. He's my hero, for his steadfast adherence to the scientific method. What I found in all this is that the big question that needs immediate attention is not what's out THERE, but what's going on HERE, on Earth, and why we think the way we do, and how we came to be here in the first place.

  15. Capture-recapture methodology

    Science.gov (United States)

    Gould, William R.; Kendall, William L.

    2013-01-01

    Capture-recapture methods were initially developed to estimate human population abundance, but since that time have seen widespread use for fish and wildlife populations to estimate and model various parameters of population, metapopulation, and disease dynamics. Repeated sampling of marked animals provides information for estimating abundance and tracking the fate of individuals in the face of imperfect detection. Mark types have evolved from clipping or tagging to use of noninvasive methods such as photography of natural markings and DNA collection from feces. Survival estimation has been emphasized more recently as have transition probabilities between life history states and/or geographical locations, even where some states are unobservable or uncertain. Sophisticated software has been developed to handle highly parameterized models, including environmental and individual covariates, to conduct model selection, and to employ various estimation approaches such as maximum likelihood and Bayesian approaches. With these user-friendly tools, complex statistical models for studying population dynamics have been made available to ecologists. The future will include a continuing trend toward integrating data types, both for tagged and untagged individuals, to produce more precise and robust population models.

  16. 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.

  17. 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...

  18. 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.

  19. Self-reported sleep disturbances in patients with dissociative identity disorder and post-traumatic stress disorder and how they relate to cognitive failures and fantasy proneness

    NARCIS (Netherlands)

    van Heugten-van der Kloet, Dalena; Huntjens, Rafaele; Giesbrecht, Timo; Merckelbach, Harald

    2014-01-01

    Sleep disturbances, fantasy proneness, cognitive failures, and dissociative symptoms are related to each other. However, the co-occurrence of these phenomena has been primarily studied in non-clinical samples. We investigated the correlations between these phenomena in dissociative identity disorder

  20. 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.

  1. Dissociation of an antiviral compound from the internal pocket of human rhinovirus 14 capsid.

    Science.gov (United States)

    Li, Yumin; Zhou, Zhigang; Post, Carol Beth

    2005-05-24

    WIN antiviral compounds bind human rhinovirus, as well as enterovirus and parechovirus, in an internal cavity located within the viral protein capsid. Access to the buried pocket necessitates deviation from the average viral protein structure identified by crystallography. We investigated the dissociation of WIN 52084 from the pocket in human rhinovirus 14 by using an adiabatic, biased molecular dynamics simulation method. Multiple dissociation trajectories are used to characterize the pathway. WIN 52084 exits between the polypeptide chain near the ends of betaC and betaH in a series of steps. Small, transient packing defects in the protein are sufficient for dissociation. A number of torsion-angle transitions of the antiviral compound are involved, which suggests that flexibility in antiviral compounds is important for binding. It is interesting to note that dissociation is associated with an increase in the conformational fluctuations of residues never in direct contact with WIN 52084 over the course of dissociation. These residues are N-terminal residues in the viral proteins VP3 and VP4 and are located in the interior of the capsid near the icosahedral 5-fold axis. The observed changes in dynamics may be relevant to structural changes associated with virion uncoating and its inhibition by antiviral compounds.

  2. 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.

  3. Nonequilibrium dissociation mechanisms in low temperature nitrogen and carbon monoxide plasmas

    Energy Technology Data Exchange (ETDEWEB)

    Capitelli, Mario [Department of Chemistry, University of Bari (Italy); CNR IMIP, Bari (Italy); Colonna, Gianpiero, E-mail: gianpiero.colonna@ba.imip.cnr.it [CNR IMIP, Bari (Italy); D’Ammando, Giuliano [Department of Chemistry, University of Bari (Italy); Laporta, Vincenzo [CNR IMIP, Bari (Italy); Department of Physics and Astronomy, University College of London (United Kingdom); Laricchiuta, Annarita [CNR IMIP, Bari (Italy)

    2014-06-25

    Highlights: • The role of vibrational excitation in affecting N{sub 2} dissociation is put in evidence. • Calculations with new complete sets of e-N{sub 2} cross sections have been performed. • Vibrational mechanism dominates e-N{sub 2} dissociation for E/N < 50 Td. • Vibrational and electron dissociation mechanisms are competitive for E/N > 50 Td. - Abstract: The role of vibrational excitation in affecting the dissociation under discharge conditions characterized by reduced electric field E/N ⩽ 80 Td has been investigated in N{sub 2}. The kinetic calculations have been performed using a self-consistent approach, solving at the same time the master equation for the composition and the distribution of internal states (vibrational and electronic) and the Boltzmann equation for the electron energy distribution function. The results show that vibrational mechanisms involving heavy particle excited states dominate electron impact dissociation mechanisms involving the whole vibrational ladder for E/N < 50 Td, the two mechanisms being competitive for E/N > 50 Td.

  4. 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.

  5. 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.

  6. Zero-Point Energy Constraint for Unimolecular Dissociation Reactions. Giving Trajectories Multiple Chances To Dissociate Correctly.

    Science.gov (United States)

    Paul, Amit K; Hase, William L

    2016-01-28

    A zero-point energy (ZPE) constraint model is proposed for classical trajectory simulations of unimolecular decomposition and applied to CH4* → H + CH3 decomposition. With this model trajectories are not allowed to dissociate unless they have ZPE in the CH3 product. If not, they are returned to the CH4* region of phase space and, if necessary, given additional opportunities to dissociate with ZPE. The lifetime for dissociation of an individual trajectory is the time it takes to dissociate with ZPE in CH3, including multiple possible returns to CH4*. With this ZPE constraint the dissociation of CH4* is exponential in time as expected for intrinsic RRKM dynamics and the resulting rate constant is in good agreement with the harmonic quantum value of RRKM theory. In contrast, a model that discards trajectories without ZPE in the reaction products gives a CH4* → H + CH3 rate constant that agrees with the classical and not quantum RRKM value. The rate constant for the purely classical simulation indicates that anharmonicity may be important and the rate constant from the ZPE constrained classical trajectory simulation may not represent the complete anharmonicity of the RRKM quantum dynamics. The ZPE constraint model proposed here is compared with previous models for restricting ZPE flow in intramolecular dynamics, and connecting product and reactant/product quantum energy levels in chemical dynamics simulations.

  7. Electron localization in dissociating $H_2^+$ by retroaction of a photoelectron onto its source

    CERN Document Server

    Waitz, M; Wechselberger, N; Gill, H K; Rist, J; Wiegandt, F; Goihl, C; Kastirke, G; Weller, M; Bauer, T; Metz, D; Sturm, F P; Voigtsberger, J; Zeller, S; Trinter, F; Schiwietz, G; Weber, T; Williams, J B; Schöffler, M S; Schmidt, L Ph H; Jahnke, T; Dörner, R

    2016-01-01

    We investigate the dissociation of $H_2^+$ into a proton and a $H^0$ after single ionization with photons of an energy close to the threshold. We find that the $p^+$ and the $H^0$ do not emerge symmetrically in case of the $H_2^+$ dissociating along the $1s\\sigma_g$ ground state. Instead, a preference for the ejection of the $p^+$ in the direction of the escaping photoelectron can be observed. This symmetry breaking is strongest for very small electron energies. Our experiment is consistent with a recent prediction by Serov and Kheifets [Phys. Rev. A 89, 031402 (2014)]. In their model, which treats the photoelectron classically, the symmetry breaking is induced by the retroaction of the long range Coulomb potential onto the dissociating $H_2^+$.

  8. 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.

  9. Model, First-Principle Calculation of Ammonia Dissociation on Si(100 Surface. Importance of Proton Tunneling

    Directory of Open Access Journals (Sweden)

    Marek Z. Zgierski

    2003-06-01

    Full Text Available Abstract: The dissociation of an ammonia molecule on a cluster of Si atoms simulating the 100 silicon crystal structure with two Si dimers has been investigated by means of the DFT and an approximate instanton methods. The model corresponds to the low coverage limit of the surface. Absolute rate constants of two different dissociation paths are evaluated together with deuterium isotope effects. It is demonstrated that, even at room temperatures, the process is dominated by tunneling and that dissociation to a silicon atom of the adjacent dimer, rather than a silicon within the same dimer, is the prevailing mechanism. This leads to creation of a metastable structure which will slowly decay through a two-step hydrogen atom migration towards the absolute minimum on the potential energy surface corresponding to the NH2 group and the hydrogen atom residing in the same dimer.

  10. Real-Time Capture of Student Reasoning While Writing

    Science.gov (United States)

    Franklin, Scott V.; Hermsen, Lisa M.

    2014-01-01

    We present a new approach to investigating student reasoning while writing: real-time capture of the dynamics of the writing process. Key-capture or video software is used to record the entire writing episode, including all pauses, deletions, insertions, and revisions. A succinct shorthand, "S notation," is used to highlight significant…

  11. 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…

  12. 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...

  13. 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…

  14. 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

  15. Molecular dynamical studies of the dissociation of a diatomic molecular crystal. I. Energy exchange in rapid exothermic reactions

    Science.gov (United States)

    Tsai, D. H.; Trevino, S. F.

    1983-08-01

    We discuss the results of a study of the exothermic dissociation of a model diatomic molecular crystal. Our main purpose is to investigate the dynamics of energy transport and energy sharing in this system during the dissociation process. The crystal was prepared in a metastable molecular form, in thermal equilibrium at a low initial temperature and pressure. When we heated the system to a higher temperature, at constant volume, we observed thermally initiated dissociations which progressed rapidly to completion. During the dissociation process, we found that the sharing of the potential energy released by the metastable molecules with the rest of the system, and the sharing of the kinetic energy of the dissociated fragments with the kinetic energy of the molecules in the translational degrees of freedom, were rather efficient. But the intra- and intermolecular exchange of the kinetic energy among the various degrees of freedom, viz., translation-rotation, translation-vibration, and rotation-vibration was inefficient. Dissociation would occur in one of the regions of high local kinetic energy density, after a molecule in that region had acquired sufficient vibrational energy to break apart, and when the ``caging'' effect was favorable to allow the molecule to dissociate. From such a reaction site, and there may be others, the reaction would spread to a neighboring site, and continue this way until all the molecules became dissociated. The induction time showed an approximately logarithmic dependence on the inverse of the temperature of the system after heating. But during the process of rapid dissociation, both the potential energy and the kinetic energy of the system underwent rapid changes, and thermal equilibrium was not reached until the end of the process.

  16. 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

  17. Carbon Capture: A Technology Assessment

    Science.gov (United States)

    2013-10-21

    monoethanolamine (MEA) and ammonia ; pre- combustion capture (also via chemical solvents) from the synthesis gas produced in an integrated coal gasification...71 D. Heaven et al., “ Synthesis Gas Purification in Gasification to Ammonia /Urea Plants,” Gasification Technologies...32 Ammonia -Based Capture Processes

  18. Muon capture on Chlorine-35

    CERN Document Server

    Arole, S; Gorringe, T P; Hasinoff, M D; Kovash, M A; Kuzmin, V; Moftah, B A; Sedlar, R; Stocki, T J; Tetereva, T

    2002-01-01

    We report measurements of $\\gamma$--ray spectra from muon capture on $^{35}$Cl. For the allowed Gamow--Teller transitions to the $^{35}$S$(2939, 3/2^+)$ state and the $^{35}$S$(3421, 5/2^+)$ state we obtained their capture rates, hyperfine dependences and $\\gamma$--$\

  19. 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\

  20. Cutting the cost of carbon capture: a case for carbon capture and utilization.

    Science.gov (United States)

    Joos, Lennart; Huck, Johanna M; Van Speybroeck, Veronique; Smit, Berend

    2016-10-20

    A significant part of the cost for carbon capture and storage (CCS) is related to the compression of captured CO2 to its supercritical state, at 150 bar and typically 99% purity. These stringent conditions may however not always be necessary for specific cases of carbon capture and utilization (CCU). In this manuscript, we investigate how much the parasitic energy of an adsorbent-based carbon capture process may be lowered by utilizing CO2 at 1 bar and adapting the final purity requirement for CO2 from 99% to 70% or 50%. We compare different CO2 sources: the flue gases of coal-fired or natural gas-fired power plants and ambient air. We evaluate the carbon capture performance of over 60 nanoporous materials and determine the influence of the initial and final CO2 purity on the parasitic energy of the carbon capture process. Moreover, we demonstrate the underlying principles of the parasitic energy minimization in more detail using the commercially available NaX zeolite. Finally, the calculated utilization cost of CO2 is compared with the reported prices for CO2 and published costs for CCS.

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

    KAUST Repository

    Gan, Liyong

    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).

  2. 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

  3. Insight into the adsorption and dissociation of water over different CuO(111) surfaces: The effect of surface structures

    Energy Technology Data Exchange (ETDEWEB)

    Zhang, Jin; Zhang, Riguang, E-mail: zhangriguang@tyut.edu.cn; Wang, Baojun; Ling, Lixia

    2016-02-28

    Graphical abstract: - Highlights: • OH species is the main product of H{sub 2}O dissociation on CuO(111) surface. • The presence of hydrogen (produced from H{sub 2}O dissociation) is in favor of OH dissociation. • OH species fails to dissociate into H and O on the stoichiometric CuO(111) surface. • Oxygen-vacancy surface is favorable for H{sub 2}O dissociation than the stoichiometric surface. • Oxygen-rich surface is the most favorable for H{sub 2}O dissociation than other two surfaces. - Abstract: Water adsorption and dissociation on solid surfaces play a key role in a variety of industrial processes, a detailed comprehension of this process and the effect of the surface structure will assist in developing the improved catalysts. In this study, the adsorption and dissociation of H{sub 2}O on three different types of CuO(111) surfaces, including the stoichiometric, oxygen-vacancy and oxygen-rich surfaces, have been systematically investigated and compared using density functional theory methods. All possible initial configurations of H{sub 2}O adsorbed on those surfaces with only one coverage have been identified. Our results show that the adsorption ability of H{sub 2}O is substantially weaker than that of the dissociated species (HO, H and O). H{sub 2}O chemisorbs at the Cu{sub SUB}, Cu{sup 2} and Cu{sub SUB} sites of the stoichiometric, oxygen-vacancy and oxygen-rich surfaces, respectively; subsequently, the chemisorption H{sub 2}O dissociates into OH and H species. The dissociation mechanisms of chemisorption H{sub 2}O and the single OH group leading to the final O and H species suggest that the dissociation of single OH species occurs at a higher barrier compared to the dissociation of OH in the presence of neighboring H atom (produced from the initial step of H{sub 2}O dissociation), namely, the presence of H is in favor of OH dissociation, which agrees with the results of charge transfer. However, owing to the significantly high barrier of OH

  4. The role of water in gas hydrate dissociation

    Science.gov (United States)

    Circone, S.; Stern, L.A.; Kirby, S.H.

    2004-01-01

    When raised to temperatures above the ice melting point, gas hydrates release their gas in well-defined, reproducible events that occur within self-maintained temperature ranges slightly below the ice point. This behavior is observed for structure I (carbon dioxide, methane) and structure II gas hydrates (methane-ethane, and propane), including those formed with either H2O- or D2O-host frameworks, and dissociated at either ambient or elevated pressure conditions. We hypothesize that at temperatures above the H2O (or D2O) melting point: (1) hydrate dissociation produces water + gas instead of ice + gas, (2) the endothermic dissociation reaction lowers the temperature of the sample, causing the water product to freeze, (3) this phase transition buffers the sample temperatures within a narrow temperature range just below the ice point until dissociation goes to completion, and (4) the temperature depression below the pure ice melting point correlates with the average rate of dissociation and arises from solution of the hydrate-forming gas, released by dissociation, in the water phase at elevated concentrations. In addition, for hydrate that is partially dissociated to ice + gas at lower temperatures and then heated to temperatures above the ice point, all remaining hydrate dissociates to gas + liquid water as existing barriers to dissociation disappear. The enhanced dissociation rates at warmer temperatures are probably associated with faster gas transport pathways arising from the formation of water product.

  5. Importance of Primary Capture and L-Selectin–Dependent Secondary Capture in Leukocyte Accumulation in Inflammation and Atherosclerosis in Vivo

    Science.gov (United States)

    Eriksson, Einar E.; Xie, Xun; Werr, Joachim; Thoren, Peter; Lindbom, Lennart

    2001-01-01

    In the multistep process of leukocyte extravasation, the mechanisms by which leukocytes establish the initial contact with the endothelium are unclear. In parallel, there is a controversy regarding the role for L-selectin in leukocyte recruitment. Here, using intravital microscopy in the mouse, we investigated leukocyte capture from the free flow directly to the endothelium (primary capture), and capture mediated through interactions with rolling leukocytes (secondary capture) in venules, in cytokine-stimulated arterial vessels, and on atherosclerotic lesions in the aorta. Capture was more prominent in arterial vessels compared with venules. In venules, the incidence of capture increased with increasing vessel diameter and wall shear rate. Secondary capture required a minimum rolling leukocyte flux and contributed by ∼20–50% of total capture in all studied vessel types. In arteries, secondary capture induced formation of clusters and strings of rolling leukocytes. Function inhibition of L-selectin blocked secondary capture and thereby decreased the flux of rolling leukocytes in arterial vessels and in large (>45 μm in diameter), but not small (<45 μm), venules. These findings demonstrate the importance of leukocyte capture from the free flow in vivo. The different impact of blockage of secondary capture in venules of distinct diameter range, rolling flux, and wall shear rate provides explanations for the controversy regarding the role of L-selectin in various situations of leukocyte recruitment. What is more, secondary capture occurs on atherosclerotic lesions, a fact that provides the first evidence for roles of L-selectin in leukocyte accumulation in atherogenesis. PMID:11457895

  6. Theoretical study of hydrogen dissociation and diffusion on Nb and Ni co-doped Mg(0001): A synergistic effect

    Science.gov (United States)

    Chen, Ming; Cai, Zhen-Zhun; Yang, Xiao-Bao; Zhu, Min; Zhao, Yu-Jun

    2012-07-01

    The interaction of H2 with clean, Ni and Nb doped Mg(0001) surface are investigated by first-principles calculations. Individual Ni and Nb atoms within the outermost surface can reduce the dissociation barrier of the hydrogen molecule. They, however, prefers to substitute for the Mg atoms within the second layer, leading to a weaker catalytic effect for the dissociation of H2, a bottleneck for the hydriding of MgH2. Interestingly, co-doping of Ni and Nb stabilizes Ni at the first layer, and results in a significant reduction of the dissociation barrier of H2 on the Mg surface, coupled with an increase of the diffusion barrier of H. Although codoped Ni and Nb shows no remarkable advantage over single Nb here, it implies that the catalytic effect could be optimized by co-doping of "modest" transition metals with balanced barriers for dissociation of H2 and diffusion of H on Mg surfaces.

  7. 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.

  8. Lebanon and Syria: between dissociation and spillover

    Directory of Open Access Journals (Sweden)

    Javier Lion Bustillo

    2014-12-01

    Full Text Available The risk of Syrian civil war violence spreading towards Lebanon is high. This can be explained by various factors deriving as much from the neighbouring conflict as from other existing factors in Lebanese politics, which have led to the significant collaboration of Lebanon’s Future Movement and Hezbollah with their respective allies in Syria, and to undermining Najib Mikati’s dissociation policies. However, the leaders of those parties tend to balance their will to preserve their confessional leadership with an image of being the defender of national interests. This limits the possibility of an openly sectarian conflict, but it does not totally eliminate it.

  9. 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.

  10. 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.

  11. Provenance Datasets Highlighting Capture Disparities

    Science.gov (United States)

    2014-01-01

    the Web pages of the universities and institutes.1 Notes are made and links pasted in a variety of formats. Files are saved on a shared drive. When...institutions/ 3. Capture Methods There are several capture methods that are available for use [4]: • Manual capture. • Scraping of logs or...the high-level user desktop. Save links App: Word, SharePoint User: Alice Web Data Web Data Web Data Web Data Web Data Web Data Notes.txt Create

  12. Dissociation and fantasy proneness in psychiatric patients: a preliminary study.

    Science.gov (United States)

    Merckelbach, Harald; à Campo, Joost; Hardy, Solange; Giesbrecht, Timo

    2005-01-01

    Nonclinical studies found that dissociative experiences are intimately linked to a trait known as fantasy proneness. We examined the links among dissociative symptoms, fantasy proneness, and impulsivity in psychiatric outpatients. Our sample consisted of 22 patients with schizophrenia, 20 patients with a diagnosis of borderline personality disorder, and 19 patients with a major depressive disorder. For the whole sample, levels of dissociation were found to be related to fantasy proneness and impulsivity. There were group differences in dissociative symptoms, with patients with borderline personality disorder reporting more such symptoms than patients with either schizophrenia or major depressive disorder. The overlap between dissociation and fantasy proneness may have important ramifications for studies addressing comorbid phenomena of dissociative symptoms.

  13. 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.

  14. 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...

  15. 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...

  16. 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...... 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....

  17. 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.

  18. 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.

  19. 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.

  20. Resonant structure of low-energy H3+ dissociative recombination

    CERN Document Server

    Petrignani, Annemieke; Berg, Max H; Bing, Dennis; Buhr, Henrik; Greene, Chris H; Grieser, Manfred; Hoffmann, Jens; Jordon-Thaden, Brandon; Kokoouline, Viatcheslav; Krantz, Claude; Kreckel, Holger; Mendes, Mario B; Novotny, Oldrich; Novotny, Steffen; Orlov, Dmitry A; Repnow, Roland; Sorg, Tobias; Stuetzel, Julia; Wolf, Andreas

    2010-01-01

    New high-resolution dissociative recombination rate coefficients of rotationally cool and hot H3+ in the vibrational ground state have been measured with a 22-pole trap setup and a Penning ion source, respectively, at the ion storage ring TSR. The experimental results are compared with theoretical calculations to explore the dependence of the rate coefficient on ion temperature and to study the contributions of different symmetries to probe the rich predicted resonance spectrum. The break-up energy was investigated by fragment imaging to derive internal temperatures of the stored parent ions under differing experimental conditions. A systematic experimental assessment of heating effects is performed which, together with a survey of other recent storage-ring data, suggests that the present rotationally cool rate-coefficient measurement was performed at 380^{+50}_{-130} K and that this is the lowest rotational temperature so far realized in storage-ring rate-coefficient measurements on H3+. This partially suppo...

  1. 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.

  2. 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.

  3. Dissociation in hypnosis and multiple personality disorder.

    Science.gov (United States)

    Bowers, K S

    1991-07-01

    The first part of this paper examines the concept of dissociation in the context of hypnosis. In particular, the neodissociative and social psychological models of hypnosis are compared. It is argued that the social psychological model, in describing hypnotic enactments as purposeful, does not adequately distinguish between behavior that is enacted "on purpose" and behavior that serves or achieves a purpose. 2 recent dissertations (Hughes, 1988; Miller, 1986) from the University of Waterloo are summarized, each of which supports the neodissociative view that hypnotic behavior can be purposeful (in the sense that the suggested state of affairs is achieved) and nonvolitional (in the sense that the suggested state of affairs is not achieved by high level executive initiative and ongoing effort). The second part of the paper employs a neodissociative view of hypnosis to help understand the current epidemic of multiple personality disorder (MPD). In particular, it is argued that many symptoms of MPD are implicitly suggested effects--particularly prone to occur in persons who have a lifelong tendency to use dissociative type defenses. The present author believes that this account is easier to sustain conceptually and empirically than the current view, which states that a secondary (tertiary, etc.) personality accounts for the striking phenomenological discontinuities experienced by MPD patients.

  4. 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.

  5. 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.

  6. Altered states of consciousness, dissociation, and dream recall.

    Science.gov (United States)

    Suszek, Hubert; Kopera, Maciej

    2005-02-01

    In a sample of 71 medical students, dream recall frequency was positively correlated with proneness to altered states of consciousness (r = .26) measured by the State of Mind and Consciousness Questionnaire and dissociation (r = .29) measured by the Dissociative Experiences Scale II. A regression analysis, however, yielded neither altered states of consciousness nor dissociation, sex, or age to be significant predictors of dream recall frequency. Among women dream recall frequency was associated with proneness to dissociation; among men it was correlated with proneness to altered states of consciousness.

  7. Enzymes in CO2 Capture

    DEFF Research Database (Denmark)

    Fosbøl, Philip Loldrup; Gladis, Arne; Thomsen, Kaj

    of carbon capture is the application of enzymes for acceleration of typically slow ternary amines or inorganic carbonates. There is a hidden potential to revive currently infeasible amines which have an interesting low energy consumption for regeneration but too slow kinetics for viable CO2 capture. The aim......The enzyme Carbonic Anhydrase (CA) can accelerate the absorption rate of CO2 into aqueous solutions by several-fold. It exist in almost all living organisms and catalyses different important processes like CO2 transport, respiration and the acid-base balances. A new technology in the field...... of this work is to discuss the measurements of kinetic properties for CA promoted CO2 capture solvent systems. The development of a rate-based model for enzymes will be discussed showing the principles of implementation and the results on using a well-known ternary amine for CO2 capture. Conclusions...

  8. 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.

  9. 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....

  10. 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

  11. Radiative muon capture on hydrogen

    Energy Technology Data Exchange (ETDEWEB)

    Bertl, W. (Paul Scherrer Inst. (PSI), Villigen (Switzerland)); Ahmad, S.; Chen, C.Q.; Gumplinger, P.; Hasinoff, M.D.; Larabee, A.J.; Sample, D.G.; Schott, W.; Wright, D.H. (British Columbia Univ., Vancouver (Canada)); Armstrong, D.S.; Blecher, M. (Virginia Polytechnic Inst., Blacksburg, VA (United States) Virginia State Univ., Blacksburg, VA (United States)); Azuelos, G. (British Columbia Univ., Vancouver (Canada). TRIUMF Facility Montreal Univ., Quebec (Canada)); Depommier, P.; Jonkmans, G. (Montreal Univ., Quebec (Canada)); Gorringe, T.P. (Kentucky Univ., Lexington, KY (United States)); Henderson, R. (British Columbia Univ., Vancouver (Canada). TRIUMF Facility Melbourne Univ., Parkville (Australia)); Macdonald, J.A.; Poutissou, J.M.; Poutissou, R.; Von Egidy, T.; Zhang, N.S. (British Columbia Univ., Vancouver (Canada). TRIUMF Facility); McDonald, S.C.; Taylor, G.N. (Melbourne Univ., Parkville (Australia)); Robertson, B.D. (Queen' s Univ., Kingston, Ontario (Canada))

    1992-01-01

    The radiative capture of negative muons by protons can be used to measure the weak induced pseudoscalar form factor. Brief arguments why this method is preferable to ordinary muon capture are given followed by a discussion of the experimental difficulties. The solution to these problems as attempted by experiment no. 452 at TRIUMF is presented together with preliminary results from the first run in August 1990. An outlook on the expected final precision and the experimental schedule is also given. (orig.).

  12. 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.

  13. The Capture of Jupiter Trojans

    Science.gov (United States)

    Morbidelli, A.; Nesvorny, D.; Vokrouhlicky, D.

    2013-09-01

    The origin of Jupiter Trojans remained mysterious for decades. Particularly, it was difficult to explain the excitation of the inclinations of the Trojan population [1]. In 2005, Morbidelli et al. [2] proposed a scenario of capture from the trans-Neptunian disk, in the framework of the so-called "Nice model" [3,4]. This scenario explained in a natural way the observed orbital distribution of Trojans. The Nice model, however, evolved in the years, in order to satisfy an increasingly large number of constraints. It now appears that the dynamical evolution of the giant planets was different from that envisioned in [2]. Here, we assess again the process of capture of Trojans within this new evolution. We show that (6-8)×10 - 7 of the original trans-Neptunian planetesimals are captured in the Trojan region, with an orbital distribution consistent with the one observed. Relative to [2], the new capture mechanism has the potential of explaining the asymmetry between the L4 and L5 populations. Moreover, the resulting population of Trojans is consistent with that of the Irregular Satellites of Jupiter, which are captured in the same process; a few bodies from the main asteroid belt could also be captured in the Trojan cloud.

  14. 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

  15. 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.

  16. Multiphoton dissociation and ionization of nickelocene

    Science.gov (United States)

    Leutwyler, Samuel; Even, Uzi; Jortner, Joshua

    1981-01-01

    In this paper we report the results of an experimental study of collision-free molecular multiphoton dissociation (MPD) and molecular multiphoton ionization (MPI) of nickelocene (NiC 10H 10), induced by the light of a tunable dye laser in the wavelength region 3750-5200 A. The spectral dependence of the ion signal reveals a multitude of narrow (fwhm from <0.5 cm -1 to 1.5 cm -1) intense peaks superimposed on a very weak background (relative amplitude ratio for peaks/background ≈ 10 3). The sharp resonances in the ion signal are attributed, on the basis of spectroscopic analysis, to two-photon resonant three-photon ionization of Ni(I) and to one-photon resonant three-photon ionization of Ni(I), the Ni(I) being produced by MPD of nickelocene. The ion signal in the spectral range 3750-3950 A reveals enhanced continuous background due to MPI of nickelocene. This ion signal spectra, together with studies of the intensity dependence of the overall (nickelocene MPD) - (Ni(I) MPI) processes, as well as the (nickelocene molecular MPI) reaction, reveal four reactive processes. (a) Two-photon molecular MPI for hω ⩾ 3.10 eV photons. (b) Three-photon molecular MPI for hω = 3.10-2.10 eV. (c) Two-photon MPD at hω ⩾ 2.86 eV. (d) Three-photon MPD for hω = 2.8-1.9 eV. The overall dissociation energy of nickelocene (Nicp 2) to give Ni + 2cp was determined to be 5.76 ± 0.60 eV and the two-photon ionization potential of this molecule is 6.29 ± 0.015 eV. Our results provide dynamic evidence concerning a simultaneous "explosive" photodissociation mechanism of Nicp 2 by process (c) and for the dominating role of the dissociative channel, characterized by a branching ratio of ⩾50 in favor of predissociation over autoionization, for process (c) at 6.3-6.6 eV. The MPD processes (c) and (d) are expected to exhibit intramolecular erosion of phase coherence effects. Processes (c) and (d) are of high efficiency ≈0.01 ions/molecule at saturation exhibited at laser power of ≈ 10

  17. CO2 Capture for Cement Technology

    DEFF Research Database (Denmark)

    Pathi, Sharat Kumar

    Production of cement is an energy intensive process and is the source of considerable CO2emissions. Itis estimated that the cement industry contributes around 8% of total global CO2emissions. CO2is oneof the major greenhouse gases. In the atmosphere, the CO2concentration has increased from 310...... performed recently has focused on CO2capture from fossil fuel-based power plants. Inherently,this process is especially suitablefor cement plants, as CaO used for CO2capture is also a majoringredient for clinker production. Thus, a detailed investigation was carried outto study the applicationof...... the carbonate looping process to the cement industry. In order to study the application of thecarbonate looping process to cement industry, the project work is divided into three scales: 1) atparticle scale (TGA), 2) at reactor scale (Fluid-bed) and 3) at process scale (process modeling Pro/II).The results from...

  18. 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.

  19. Thermal dissociation and unfolding of insulin

    DEFF Research Database (Denmark)

    Huus, Kasper; Havelund, Svend; Olsen, Helle B;

    2005-01-01

    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...... denaturants where it has been shown that monomer unfolding takes place at much higher denaturant concentrations than the dissociation of higher oligomers [Ahmad, A., et al. (2004) J. Biol. Chem. 279, 14999-15013]....

  20. 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.)

  1. 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.

  2. Hexuronic acid stereochemistry determination in chondroitin sulfate glycosaminoglycan oligosaccharides by electron detachment dissociation.

    Science.gov (United States)

    Leach, Franklin E; Ly, Mellisa; Laremore, Tatiana N; Wolff, Jeremy J; Perlow, Jacob; Linhardt, Robert J; Amster, I Jonathan

    2012-09-01

    Electron detachment dissociation (EDD) has previously provided stereo-specific product ions that allow for the assignment of the acidic C-5stereochemistry in heparan sulfate glycosaminoglycans (GAGs), but application of the same methodology to an epimer pair in the chondroitin sulfate glycoform class does not provide the same result. A series of experiments have been conducted in which glycosaminoglycan precursor ions are independently activated by electron detachment dissociation (EDD), electron induced dissociation (EID), and negative electron transfer dissociation (NETD) to assign the stereochemistry in chondroitin sulfate (CS) epimers and investigate the mechanisms for product ion formation during EDD in CS glycoforms. This approach allows for the assignment of electronic excitation products formed by EID and detachment products to radical pathways in NETD, both of which occur simultaneously during EDD. The uronic acid stereochemistry in electron detachment spectra produces intensity differences when assigned glycosidic and cross-ring cleavages are compared. The variations in the intensities of the doubly deprotonated (0,2)X(3) and Y(3) ions have been shown to be indicative of CS-A/DS composition during the CID of binary mixtures. These ions can provide insight into the uronic acid composition of binary mixtures in EDD, but the relative abundances, although reproducible, are low compared with those in a CID spectrum acquired on an ion trap. The application of principal component analysis (PCA) presents a multivariate approach to determining the uronic acid stereochemistry spectra of these GAGs by taking advantage of the reproducible peak distributions produced by electron detachment.

  3. Dissociative symptoms and interregional EEG cross-correlations in paranoid schizophrenia.

    Science.gov (United States)

    Bob, Petr; Susta, Marek; Glaslova, Katerina; Boutros, Nash N

    2010-05-15

    Recent findings indicate that binding and synchronization of distributed activities are crucial for the mechanism of consciousness, and there is increased evidence that disruptions in feature binding produce disintegration of consciousness in schizophrenia. These data suggest that the disrupted binding and disintegration of consciousness could be related to dissociation, which is historically linked to Bleuler's concept of splitting in schizophrenia. In the present study we aimed to investigate relations among electroencephalogram (EEG) activities of cortical sites and used psychometric measures of positive and negative schizophrenia symptoms (Positive and Negative Syndrome Scale) and the Dissociative Experiences Scale (DES) in 58 patients with paranoid schizophrenia. The results show statistically significant Spearman correlations of the DES with cross-correlation function in nine (of 16) EEG pairs. Positive symptoms display significant Spearman correlation with mean of cross-correlation function in only one EEG pair (F4-C4). Results of the Mann-Whitney test between patients with higher (DES > or = 30) and lower dissociation show statistically significant differences between the groups for cross-correlations in nine EEG pairs. The results of this study provide the first supportive evidence for a negative relationship between cross-correlation indices and symptoms of dissociation in schizophrenia.

  4. 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.

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

    Energy Technology Data Exchange (ETDEWEB)

    Wang, Xu-Dong; Xuan, Chuan-Jin; Feng, Wen-Ling; Tian, Shan Xi, E-mail: sxtian@ustc.edu.cn [Hefei National Laboratory for Physical Sciences at the Microscale, Center of Advanced Chemical Physics, and Department of Chemical Physics, University of Science and Technology of China, Hefei, Anhui 230026 (China)

    2015-02-14

    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{sup −}/OH{sup −} and CH{sub 3}{sup −} are recorded, indicating the low kinetic energies of O{sup −}/OH{sup −} for ethanol while the low and high kinetic energy distributions of O{sup −} ions for acetaldehyde. The CH{sub 3}{sup −} 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{sup −} ion via the dehydrogenated intermediate, CH{sub 3}CHO{sup −} (acetaldehyde anion), is proposed for the dissociative electron attachment to ethanol. After the electron attachment to acetaldehyde molecule, the slow CH{sub 3}{sup −} is produced quickly in the two-body dissociation with the internal energy redistributions in different aspects before bond cleavages.

  6. 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,…

  7. Molecular dynamics - The dissociation of H2 by He.

    Science.gov (United States)

    Brown, N. J.; Munn, R. J.

    1972-01-01

    The dissociation of molecular hydrogen by helium was studied at 5500 deg K using the quasiclassical approximation. The temperature-dependent reaction cross sections were very dependent on the initial quantum states of the molecule. A rate constant was estimated for the dissociation reaction, and agreement between theory and experiment was satisfactory.

  8. 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.

  9. Multiple Personality and the Pathological Dissociation of Self.

    Science.gov (United States)

    Price, Reese E.

    This paper considers the condition of Multiple Personality Disorder (MPD), which is defined as a separation of alternating personalities by rigid boundaries and amnestic barriers. It is proposed that MPD represents the end of a continuum of a defensive dissociation of the self that can result when a child employs a dissociative splitting of self…

  10. 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)

  11. 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.

  12. 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.

  13. Effect of impurities in captured CO2 on liquid-vapor equilibrium

    NARCIS (Netherlands)

    Ahmad, Mohammad; Gernert, Johannes; Wilbers, Erwin

    2014-01-01

    The capture of large amounts of CO2 from power plants and other large CO2 point sources has become relevant within the concept to mitigate CO2 emissions via carbon capture and storage. The objective of this study was to investigate the impact of some major impurities found in the CO2 stream captured

  14. 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).

  15. 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.

  16. 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.

  17. 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.

  18. Modelling of cyclopentane promoted gas hydrate systems for carbon dioxide capture processes

    DEFF Research Database (Denmark)

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

    2014-01-01

    amount of reliable LLE data exist for the binary system of water and cyclopentane. Additional water-in-oil data in particular are desired for this system.An unpromoted hydrate-based capture process, operating isothermally at a temperature of 280. K is simulated. The minimum pressure requirement...... behaviour and hydrate phase behaviour is presented. Cycloalkanes ranging from cyclopropane to cyclohexane, represents a challenge for CPA, both in the description of the pure component densities and for liquid-liquid equilibrium (LLE) in the binary systems with water. It is concluded that an insufficient...... of the first stage is estimated to be 24.9. MPa. Applying three consecutive hydrate formation/dissociation stages (three-stage capture process), a carbon dioxide-rich product (97. mol%) may be delivered at a temperature of 280. K and a pressure of 3.65. MPa.A second capture process, where cyclopentane...

  19. Molecular and dissociative adsorption of water at a defective Cu(110) surface

    Science.gov (United States)

    Lousada, Cláudio M.; Johansson, Adam Johannes; Korzhavyi, Pavel A.

    2017-04-01

    We performed a density functional theory (DFT) investigation of the molecular and dissociative adsorption of water at the perfect Cu(110) and at a defective Cu surface that provides a broad spectrum of adsorption sites in terms of coordination of Cu atoms, with the aim of understanding the role of surface defects in the dissociation of water molecules. The molecular adsorption of water is spontaneous at both surfaces but at the defective surface we found two stable molecular adsorption structures that differ slightly in the disposition of the O-atoms of H2O on the surface plane but differ considerably on the orientation of their H-atoms. Additionally we studied the dissociative adsorption of water accompanied with formation of H2(g). At the defective surface, starting from 1 ML of molecularly adsorbed H2O, the dissociation of 0.22 ML of H2O leading to 0.22 ML of HO, 0.78 ML H2O and H2(g) is exergonic but the dissociation of 0.44 ML or more H2O molecules is endergonic. These findings are discussed in terms of the two main factors that affect the adsorption energies: the existence of exposed adatoms provides an environment that facilitates the interaction with small adsorbates leading to stronger bonds between the surface and such adsorbates; and at the same time, the limited polarizability of the defect sites causes high coverages of adsorbates that drag electron density from the surface to be unfavorable. The overall effect is that at the defective Cu(110) formation of low coverages of HO groups is more favorable than at the perfect Cu(110) while forming coverages higher than 0.44 ML of HO is less favorable than at the perfect Cu(110). These effects have their origin in the extent of the polarization of the Cu-O bonds.

  20. 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...

  1. 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.

  2. 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...

  3. Optic capture pars plana lensectomy

    Directory of Open Access Journals (Sweden)

    Lee JE

    2012-10-01

    Full Text Available Joo Eun LeeDepartment of Ophthalmology, Inje University College of Medicine, Busan, South KoreaObjective: To describe an optic capture pars plana lensectomy technique.Methods: After core vitrectomy, pars plana lensectomy is performed with preservation of the anterior capsule. Capsulorhexis is performed on the preserved anterior capsule through a 2.8 mm clear corneal incision. An intraocular lens (IOL is placed in the ciliary sulcus, and then the optic of the IOL is pushed back to the vitreous cavity so that the optic is captured by the surrounding capsulorhexis margin.Results: The captured IOL-capsule diaphragm remained stable during air–fluid exchange and prevented air prolapse to the anterior chamber. IOL stability and a clear visual axis were preserved during the follow-up period.Conclusion: With this modified pars plana lensectomy technique, stable IOL position and clear visual axis can be maintained when a pars plana approach is needed during combined cataract and vitreoretinal surgery.Keywords: lensectomy, optic capture, pars plana lensectomy, vitrectomy

  4. 49 CFR 563.9 - Data capture.

    Science.gov (United States)

    2010-10-01

    ... frontal or side air bag deployment crash, capture and record the current deployment data, up to two events... 49 Transportation 6 2010-10-01 2010-10-01 false Data capture. 563.9 Section 563.9 Transportation..., DEPARTMENT OF TRANSPORTATION EVENT DATA RECORDERS § 563.9 Data capture. The EDR must capture and record...

  5. Shock-Tube Measurement of Acetone Dissociation Using Cavity-Enhanced Absorption Spectroscopy of CO.

    Science.gov (United States)

    Wang, Shengkai; Sun, Kai; Davidson, David F; Jeffries, Jay B; Hanson, Ronald K

    2015-07-16

    A direct measurement for the rate constant of the acetone dissociation reaction (CH3COCH3 = CH3CO + CH3) was conducted behind reflected shock wave, utilizing a sub-ppm sensitivity CO diagnostic achieved by cavity-enhanced absorption spectroscopy (CEAS). The current experiment eliminated the influence from secondary reactions and temperature change by investigating the clean pyrolysis of shock-tube kinetics studies.

  6. Competition Between Two Excitation-dissociation Channels for Molecular Ions

    Institute of Scientific and Technical Information of China (English)

    Li-kun Lai; Li-min Zhang; Mao-ping Yang; Dan-na Zhou

    2009-01-01

    When the molecular ions XYZ+ (XY2+) are excited simultaneously from an electronic state E0 into two higher electronic states Eα and Eβ with supervened dissociation or predisso-ciation, competition between the α and β excitation-dissociation channels occurs. A the-oretical model is provided to deal with the competition of the two excitation-dissociation channels with more than two kinds of ionic products for XYZ+ (XY2+). Supposing that the photo-excitation rates of two states Eα and Eβ are much less than their dissociation or prc-dissociation rates, a theoretical equation can be deduced to fit the measured data, which reflects the dependence of the product branching ratios on the intensity ratios of two excitation lasers. From the fitted parameters the excitation cross section ratios are obtained. In experiment, we studied the competition between two excitation-dissociation channels of CO2+. By measuring the dependence of the product branching ratio on the intensity ra-tio of two dissociation lasers and fitting the experiment data with the theoretical equation, excitation cross section ratios were deduced.

  7. Individually-personal features of patients with dissociative disorders

    Directory of Open Access Journals (Sweden)

    A. N. Stolyarenko

    2016-03-01

    Full Text Available Predisposed factors in the development of dissociative disorders remains a pressing question in the context of dissociative disorders establishing. Leading role in this aspect was given to the premorbid characteristics of patients. Aim: to study individually-personal features of patients with dissociative disorders and to establish premorbid characteristics and predisposed factors of the disease. Methods and results. 108 patients with dissociative disorders were examined on the basis of Public Health Institution «Regional clinical mental hospital» of the Zaporizhzhian regional council. The next methods of research were used: socio-demographic, medical history, follow-up, clinical-psychopathological, psychodiagnostic. Results. It has been established that patients with dissociative disorders were characterized by: female gender; the presence of accentuations of character in 94.44% of cases; the ratio of "clean" and amalgam of character accentuation 3:2; the prevalence of hysteroid (56.48%, labile (28.70% and epileptic (24.07% radicals in the personality structure of patients; domination hysteroid (38.71%, epileptoid (24.19% and labile (24.19% types among the "pure" character accentuation; the dominance of anxiety-hysterical (32.50%, hystero-excitable (30.00% and hystero-labile (30.00% types of accentuations. Men significantly frequently had balanced personality and "pure" schizoid-type personality accentuation. The study highlighted individually-personal features of patients with dissociative disorders, the prevailing premorbid characteristics of patients with dissociative disorders. The results of the study showed prevalence of the dissociative disorders in women. Conclusion. Question about the role of established premorbid characteristics and predisposed factors of the disease on the compliance to therapy in patients with dissociative disorders stays still open.

  8. 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...... than the flat surface, but the effect is considerably weaker than the effect of surface structure on the dissociation barrier. Our findings are compared with available experimental data, and the consequences for CO activation in methanation and Fischer-Tropsch reactions are discussed....

  9. 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.)

  10. 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.

  11. 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.

  12. 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.

  13. 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.

  14. Gas-phase infrared multiple photon dissociation spectroscopy of isolated SF6- and SF5- anions.

    Science.gov (United States)

    Steill, Jeffrey D; Oomens, Jos; Eyler, John R; Compton, Robert N

    2008-12-28

    Resonantly enhanced multiple photon dissociation of gas-phase SF(6) (-) and SF(5) (-) is studied using tunable infrared light from the FELIX free electron laser. The photodissociation spectrum of the sulfur hexafluoride anion, producing SF(5) (-), is recorded over the spectral range of 250-1650 cm(-1). The infrared multiple photon dissociation cross section exhibits a strong, broad resonance enhancement at 675 cm(-1) in agreement with the calculated value of nu(3), one of the two IR-active fundamental vibrational modes predicted for the O(h)-symmetry ion. Much weaker absorption features are observed in the spectral region of 300-450 cm(-1) as well as at 580 cm(-1) that are not easily assigned to the other IR-active fundamental of SF(6) (-) since these resonances are observed at a much higher energy than the calculated values for the IR-active nu(4) mode. The potential role of binary combination bands is considered. Photodissociation from the sulfur pentafluoride anion produced only F(-), but photodetachment was also observed through SF(6) associative electron capture. The IR multiple photon dissociation spectrum of SF(5) (-) shows multiple resonances within the region of 400-900 cm(-1) and agreement with calculations is clear, including the observation of three fundamental frequencies: nu(1) at 780 cm(-1), nu(7) at 595 cm(-1), and nu(8) at 450 cm(-1). Comparisons of the measured frequencies with ab initio and density functional theory calculations confirm an SF(5) (-) anion of C(4v) symmetry. Similar comparisons for SF(6) (-) are not inconsistent with an anion of O(h) symmetry.

  15. 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).

  16. 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).

  17. Natural materials for carbon capture.

    Energy Technology Data Exchange (ETDEWEB)

    Myshakin, Evgeniy M. (National Energy Technology Laboratory, Pittsburgh, PA); Romanov, Vyacheslav N. (National Energy Technology Laboratory, Pittsburgh, PA); Cygan, Randall Timothy

    2010-11-01

    Naturally occurring clay minerals provide a distinctive material for carbon capture and carbon dioxide sequestration. Swelling clay minerals, such as the smectite variety, possess an aluminosilicate structure that is controlled by low-charge layers that readily expand to accommodate water molecules and, potentially, carbon dioxide. Recent experimental studies have demonstrated the efficacy of intercalating carbon dioxide in the interlayer of layered clays but little is known about the molecular mechanisms of the process and the extent of carbon capture as a function of clay charge and structure. A series of molecular dynamics simulations and vibrational analyses have been completed to assess the molecular interactions associated with incorporation of CO2 in the interlayer of montmorillonite clay and to help validate the models with experimental observation.

  18. 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.

  19. 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.

  20. 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.

  1. Carbon Capture and Sequestration (CCS)

    Science.gov (United States)

    2009-06-19

    for the pre-combustion capture of CO2 is the use of Integrated Gasification Combined-Cycle ( IGCC ) technology to generate electricity.14 There are...currently four commercial IGCC plants worldwide (two in the United States) each with a capacity of about 250 MW. The technology has yet to make a major... IGCC is an electric generating technology in which pulverized coal is not burned directly but mixed with oxygen and water in a high-pressure gasifier

  2. 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.

  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. 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.

  5. 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.

  6. 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

  7. 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

  8. 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...

  9. 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.

  10. Formation of Benzyl Carbanion in Collision-Induced Dissociation of Deprotonated Phenylalanine Homologues.

    Science.gov (United States)

    Sekimoto, Kanako; Matsuda, Natsuki; Takayama, Mitsuo

    2014-01-01

    The fragmentation behavior of deprotonated L-phenylalanine (Phe) and its homologues including L-homophenylalanine (HPA) and L-phenylglycine (PG) was investigated using collision-induced dissociation mass spectrometry coupled with a negative ion atmospheric pressure corona discharge ionization (APCDI) technique. The deprotonated molecules [M-H](-) fragmented to lose unique neutral species, e.g., the loss of NH3, CO2, toluene and iminoglycine for [Phe-H](-); styrene and ethenamine/CO2 for [HPA-H](-); and CO2 for [PG-H](-). All of the fragmentations observed are attributable to the formation of intermediates and/or product ions which include benzyl carbanions having resonance-stabilized structures. The carbanions are formed via proton rearrangement through a transition state or via a simple dissociation reaction. These results suggest that the principal factor governing the fragmentation behavior of deprotonated Phe homologues is the stability of the intermediate and/or product ion structures.

  11. On the Dissociation Equilibrium of H2 in Very Cool, Helium-Rich White Dwarf Atmospheres

    CERN Document Server

    Kowalski, P M

    2006-01-01

    We investigate the dissociation equilibrium of $\\rm H_2$ in very cool, helium-rich white dwarf atmospheres. We present the solution of the non-ideal chemical equilibrium for the dissociation of molecular hydrogen in a medium of dense helium. We find that at the photosphere of cool white dwarfs of $T_{\\rm eff}\\rm=4000 K$, the non-ideality results in an increase of the mole fraction of molecular hydrogen by up to a factor of $\\sim 10$, compared to the equilibrium value for the ideal gas. This increases the $\\rm H_{2}-He$ CIA opacity by an order of magnitude and will affect the determination of the abundance of hydrogen in very cool, helium-rich white dwarfs.

  12. 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.

  13. Aphasia in a user of British Sign Language: Dissociation between sign and gesture.

    Science.gov (United States)

    Marshall, Jane; Atkinson, Jo; Smulovitch, Elaine; Thacker, Alice; Woll, Bencie

    2004-07-01

    This paper reports a single case investigation of "Charles", a Deaf man with sign language aphasia following a left CVA. Anomia, or a deficit in sign retrieval, was a prominent feature of his aphasia, and this showed many of the well-documented characteristics of speech anomia. For example, sign retrieval was sensitive to familiarity, it could be cued, and there were both semantic and phonological errors. Like a previous case in the literature (Corina, Poizner, Bellugi, Feinberg, Dowd, & O'Grady-Batch, 1992), Charles demonstrated a striking dissociation between sign and gesture, since his gesture production was relatively intact. This dissociation was impervious to the iconicity of signs. So, Charles' sign production showed no effect of iconicity, and gesture production was superior to sign production even when the forms of the signs and gestures were similar. The implications of these findings for models of sign and gesture production are discussed.

  14. Adsorption and dissociation of O2 on Ni-doped (5, 5) SWCNT: A DFT study

    Science.gov (United States)

    Li, Xiaodong; Liu, Liangliang; Wang, Mingguang; Wang, Zhu

    2016-05-01

    The effect of nickel doping on the adsorption and dissociation of the O2 molecule on a (5, 5) single-walled carbon nanotube (SWCNT) is investigated using first-principles density functional theory calculations in company with the nudged elastic band (NEB). Our calculated results show that nickel doping can make it much easier for oxygen adsorbed on the SWCNT, and the chemisorption energy is high enough to alter the O-O bond. What's more, the activation barrier for oxygen dissociation is lowered to 0.399 eV through nickel doping, which is much lower than Pt doped CNT. Our work have done here would be of help to develop platinum-free oxygen reduction reaction catalysts based on SWCNTs.

  15. Probing proton dissociation in ionic polymers by means of in situ ATR-FTIR spectroscopy.

    Science.gov (United States)

    Grosmaire, Lidwine; Castagnoni, Samuel; Huguet, Patrice; Sistat, Philippe; Boucher, Mario; Bouchard, Patrick; Bébin, Philippe; Deabate, Stefano

    2008-03-21

    The hydration process of cationic membrane protogenic groups was investigated using in situ ATR-FTIR spectroscopy. The aim of this study is to provide a relationship between the hydration degree of the membrane and the dissociation state of exchange sites inside the polymer material. IR spectra were recorded by means of an environmental device specifically manufactured to allow the control of water vapour pressure in equilibrium with the sample. The behaviour of Nafion 112 and sulfonated poly(ether ether ketone) (S-PEEK), in both proton and sodium forms, was compared. IR data, analyzed and fitted in the 800-1850 cm(-1) spectral range, gave precise information on the assignment of sulfonic group vibrational modes. The results of this study improve the understanding of the transition phenomena between dissociated and undissociated states of the grafted sites in protonic conductors.

  16. 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.

  17. 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.

  18. A Rational Method for Probing Macromolecules Dissociation: The Antibody-Hapten System

    CERN Document Server

    Henriques, Elsa S

    2007-01-01

    The unbinding process of a protein-ligand complex of major biological interest was investigated by means of a computational approach at atomistic classical mechanical level. An energy minimisation-based technique was used to determine the dissociation paths of the system by probing only a relevant set of generalized coordinates. The complex problem was reduced to a low-dimensional scanning along a selected distance between the protein and the ligand. Orientational coordinates of the escaping fragment (the ligand) were also assessed in order to further characterise the unbinding. Solvent effects were accounted for by means of the Poisson--Boltzmann continuum model. The corresponding dissociation time was derived from the calculated barrier height, in compliance with the experimentally reported Arrhenius-like behaviour. The computed results are in good agreement with the available experimental data.

  19. 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...

  20. 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.

  1. Thermochemistry and bond dissociation energies of ketones.

    Science.gov (United States)

    Hudzik, Jason M; Bozzelli, Joseph W

    2012-06-14

    Ketones are a major class of organic chemicals and solvents, which contribute to hydrocarbon sources in the atmosphere, and are important intermediates in the oxidation and combustion of hydrocarbons and biofuels. Their stability, thermochemical properties, and chemical kinetics are important to understanding their reaction paths and their role as intermediates in combustion processes and in atmospheric chemistry. In this study, enthalpies (ΔH°(f 298)), entropies (S°(T)), heat capacities (C(p)°(T)), and internal rotor potentials are reported for 2-butanone, 3-pentanone, 2-pentanone, 3-methyl-2-butanone, and 2-methyl-3-pentanone, and their radicals corresponding to loss of hydrogen atoms. A detailed evaluation of the carbon-hydrogen bond dissociation energies (C-H BDEs) is also performed for the parent ketones for the first time. Standard enthalpies of formation and bond energies are calculated at the B3LYP/6-31G(d,p), B3LYP/6-311G(2d,2p), CBS-QB3, and G3MP2B3 levels of theory using isodesmic reactions to minimize calculation errors. Structures, moments of inertia, vibrational frequencies, and internal rotor potentials are calculated at the B3LYP/6-31G(d,p) density functional level and are used to determine the entropies and heat capacities. The recommended ideal gas-phase ΔH°(f 298), from the average of the CBS-QB3 and G3MP2B3 levels of theory, as well as the calculated values for entropy and heat capacity are shown to compare well with the available experimental data for the parent ketones. Bond energies for primary, secondary, and tertiary radicals are determined; here, we find the C-H BDEs on carbons in the α position to the ketone group decrease significantly with increasing substitution on these α carbons. Group additivity and hydrogen-bond increment values for these ketone radicals are also determined.

  2. 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.

  3. 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.

  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. 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,…

  6. 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.

  7. 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.

  8. Electron-Impact Ionization and Dissociative Ionization of Biomolecules

    Science.gov (United States)

    Huo, Winifred M.; Chaban, Galina M.; Dateo, Christopher E.

    2006-01-01

    It is well recognized that secondary electrons play an important role in radiation damage to humans. Particularly important is the damage of DNA by electrons, potentially leading to mutagenesis. Molecular-level study of electron interaction with DNA provides information on the damage pathways and dominant mechanisms. Our study of electron-impact ionization of DNA fragments uses the improved binary-encounter dipole model and covers DNA bases, sugar phosphate backbone, and nucleotides. An additivity principle is observed. For example, the sum of the ionization cross sections of the separate deoxyribose and phosphate fragments is in close agreement with the C3(sup prime)- and C5 (sup prime)-deoxyribose-phospate cross sections, differing by less than 5%. Investigation of tandem double lesion initiated by electron-impact dissociative ionization of guanine, followed by proton reaction with the cytosine in the Watson-Crick pair, is currently being studied to see if tandem double lesion can be initiated by electron impact. Up to now only OH-induced tandem double lesion has been studied.

  9. Apraxia and spatial inattention dissociate in left hemisphere stroke.

    Science.gov (United States)

    Timpert, David C; Weiss, Peter H; Vossel, Simone; Dovern, Anna; Fink, Gereon R

    2015-10-01

    Theories of lateralized cognitive functions propose a dominance of the left hemisphere for motor control and of the right hemisphere for spatial attention. Accordingly, spatial attention deficits (e.g., neglect) are more frequently observed after right-hemispheric stroke, whereas apraxia is a common consequence of left-hemispheric stroke. Clinical reports of spatial attentional deficits after left hemisphere (LH) stroke also exist, but are often neglected. By applying parallel analysis (PA) and voxel-based lesion-symptom mapping (VLSM) to data from a comprehensive neuropsychological assessment of 74 LH stroke patients, we here systematically investigate the relationship between spatial inattention and apraxia and their neural bases. PA revealed that apraxic (and language comprehension) deficits loaded on one common component, while deficits in attention tests were explained by another independent component. Statistical lesion analyses with the individual component scores showed that apraxic (and language comprehension) deficits were significantly associated with lesions of the left superior longitudinal fascicle (SLF). Data suggest that in LH stroke spatial attention deficits dissociate from apraxic (and language comprehension) deficits. These findings contribute to models of lateralised cognitive functions in the human brain. Moreover, our findings strongly suggest that LH stroke patients should be assessed systematically for spatial attention deficits so that these can be included in their rehabilitation regime.

  10. 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.

  11. 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.

  12. Lateral-Medial Dissociation in Orbitofrontal Cortex-Hypothalamus Connectivity.

    Science.gov (United States)

    Hirose, Satoshi; Osada, Takahiro; Ogawa, Akitoshi; Tanaka, Masaki; Wada, Hiroyuki; Yoshizawa, Yasunori; Imai, Yoshio; Machida, Toru; Akahane, Masaaki; Shirouzu, Ichiro; Konishi, Seiki

    2016-01-01

    The orbitofrontal cortex (OFC) is involved in cognitive functions, and is also closely related to autonomic functions. The OFC is densely connected with the hypothalamus, a heterogeneous structure controlling autonomic functions that can be divided into two major parts: the lateral and the medial. Resting-state functional connectivity has allowed us to parcellate the cerebral cortex into putative functional areas based on the changes in the spatial pattern of connectivity in the cerebral cortex when a seed point is moved from one voxel to another. In the present high spatial-resolution fMRI study, we investigate the connectivity-based organization of the OFC with reference to the hypothalamus. The OFC was parcellated using resting-state functional connectivity in an individual subject approach, and then the functional connectivity was examined between the parcellated areas in the OFC and the lateral/medial hypothalamus. We found a functional double dissociation in the OFC: the lateral OFC (the lateral orbital gyrus) was more likely connected with the lateral hypothalamus, whereas the medial OFC (the medial orbital and rectal gyri) was more likely connected with the medial hypothalamus. These results demonstrate the fundamental heterogeneity of the OFC, and suggest a potential neural basis of the OFC-hypothalamic functional interaction.

  13. Combined pulsed-Q dissociation and electron transfer dissociation for identification and quantification of iTRAQ-labeled phosphopeptides.

    Science.gov (United States)

    Yang, Feng; Wu, Si; Stenoien, David L; Zhao, Rui; Monroe, Matthew E; Gritsenko, Marina A; Purvine, Samuel O; Polpitiya, Ashoka D; Tolić, Nikola; Zhang, Qibin; Norbeck, Angela D; Orton, Daniel J; Moore, Ronald J; Tang, Keqi; Anderson, Gordon A; Pasa-Tolić, Ljiljana; Camp, David G; Smith, Richard D

    2009-05-15

    Here, we report a new approach that integrates pulsed Q dissociation (PQD) and electron transfer dissociation (ETD) techniques for confident and quantitative identification of iTRAQ-labeled phosphopeptides. The use of isobaric tags for relative and absolute quantification enables a high-throughput quantification of peptides via reporter ion signals in the low m/z range of tandem mass spectra. PQD, a form of ion trap collision activated dissociation, allows for detection of low mass-to-charge fragment ions, and electron transfer dissociation is especially useful for sequencing peptides that contain post-translational modifications. Analysis of the phosphoproteome of human fibroblast cells using a sensitive linear ion trap mass spectrometer demonstrated that this hybrid approach improves both identification and quantification of phosphopeptides. ETD improved phosphopeptide identification, while PQD provides improved quantification of iTRAQ-labeled phosphopeptides.

  14. Comparison between Source-induced Dissociation and Collision-induced Dissociation of Ampicillin, Chloramphenicol, Ciprofloxacin, and Oxytetracycline via Mass Spectrometry

    OpenAIRE

    2013-01-01

    Mass spectrometry (MS) is a very powerful instrument that can be used to analyze a wide range of materials such as proteins, peptides, DNA, drugs, and polymers. The process typically involves either chemical or electron (impact) ionization of the analyte. The resulting charged species or fragment is subsequently identified by the detector. Usually, single mass uses source-induced dissociation (SID), whereas mass/mass uses collision-induced dissociation (CID) to analyze the chemical fragmentat...

  15. 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

  16. 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.

  17. Searching of Double Electron Capture in the TGV Experiment

    CERN Document Server

    Brudanin, V B; Briançon, C; Benes, P; Vylov, T D; Gusev, K N; Egorov, V G; Klimenko, A A; Kovalenko, V E; Korolev, N A; Salamatin, A V; Timkov, V V; Cermák, P; Shirchenko, M V; Shitov, Yu A; Stekl, I

    2004-01-01

    The first investigations of the rare nuclear process - double electron capture of $^{106}$Cd have been performed using the low-background multi-detector spectrometer TGV-2 (Telescope Germanium Vertical). The preliminary results of calculations of experimental data obtained using 11.3 and 10 g of enriched $^{106}$Cd, and 14.5 g of natural Cd were presented. The sensitivity of T$_{1/2}^{EC/EC}>2.6\\cdot10^{19}$y (90\\% CL) was obtained for the searching of double electron capture of $^{106}$Cd ($0^{+} - 0^{+}$) in the investigation of natural Cd.

  18. Realistic costs of carbon capture

    Energy Technology Data Exchange (ETDEWEB)

    Al Juaied, Mohammed (Harvard Univ., Cambridge, MA (US). Belfer Center for Science and International Affiaris); Whitmore, Adam (Hydrogen Energy International Ltd., Weybridge (GB))

    2009-07-01

    There is a growing interest in carbon capture and storage (CCS) as a means of reducing carbon dioxide (CO2) emissions. However there are substantial uncertainties about the costs of CCS. Costs for pre-combustion capture with compression (i.e. excluding costs of transport and storage and any revenue from EOR associated with storage) are examined in this discussion paper for First-of-a-Kind (FOAK) plant and for more mature technologies, or Nth-of-a-Kind plant (NOAK). For FOAK plant using solid fuels the levelised cost of electricity on a 2008 basis is approximately 10 cents/kWh higher with capture than for conventional plants (with a range of 8-12 cents/kWh). Costs of abatement are found typically to be approximately US$150/tCO2 avoided (with a range of US$120-180/tCO2 avoided). For NOAK plants the additional cost of electricity with capture is approximately 2-5 cents/kWh, with costs of the range of US$35-70/tCO2 avoided. Costs of abatement with carbon capture for other fuels and technologies are also estimated for NOAK plants. The costs of abatement are calculated with reference to conventional SCPC plant for both emissions and costs of electricity. Estimates for both FOAK and NOAK are mainly based on cost data from 2008, which was at the end of a period of sustained escalation in the costs of power generation plant and other large capital projects. There are now indications of costs falling from these levels. This may reduce the costs of abatement and costs presented here may be 'peak of the market' estimates. If general cost levels return, for example, to those prevailing in 2005 to 2006 (by which time significant cost escalation had already occurred from previous levels), then costs of capture and compression for FOAK plants are expected to be US$110/tCO2 avoided (with a range of US$90-135/tCO2 avoided). For NOAK plants costs are expected to be US$25-50/tCO2. Based on these considerations a likely representative range of costs of abatement from CCS

  19. Algal Energy Conversion and Capture

    Science.gov (United States)

    Hazendonk, P.

    2015-12-01

    We address the potential for energy conversions and capture for: energy generation; reduction in energy use; reduction in greenhouse gas emissions; remediation of water and air pollution; protection and enhancement of soil fertility. These processes have the potential to sequester carbon at scales that may have global impact. Energy conversion and capture strategies evaluate energy use and production from agriculture, urban areas and industries, and apply existing and emerging technologies to reduce and recapture energy embedded in waste products. The basis of biocrude production from Micro-algal feedstocks: 1) The nutrients from the liquid fraction of waste streams are concentrated and fed into photo bioreactors (essentially large vessels in which microalgae are grown) along with CO2 from flue gasses from down stream processes. 2) The algae are processed to remove high value products such as proteins and beta-carotenes. The advantage of algae feedstocks is the high biomass productivity is 30-50 times that of land based crops and the remaining biomass contains minimal components that are difficult to convert to biocrude. 3) The remaining biomass undergoes hydrothermal liquefaction to produces biocrude and biochar. The flue gasses of this process can be used to produce electricity (fuel cell) and subsequently fed back into the photobioreactor. The thermal energy required for this process is small, hence readily obtained from solar-thermal sources, and furthermore no drying or preprocessing is required keeping the energy overhead extremely small. 4) The biocrude can be upgraded and refined as conventional crude oil, creating a range of liquid fuels. In principle this process can be applied on the farm scale to the municipal scale. Overall, our primary food production is too dependent on fossil fuels. Energy conversion and capture can make food production sustainable.

  20. Dissociative scattering of low-energy SiF{sub 3}{sup +} and SiF{sup +} ions (5-200 eV) on Cu(100) surface

    Energy Technology Data Exchange (ETDEWEB)

    Yamamoto, Hiroyuki; Baba, Yuji; Sasaki, T.A. [Japan Atomic Energy Research Inst., Tokai, Ibaraki (Japan). Tokai Research Establishment

    1997-03-01

    Dissociative scattering of molecular SiF{sub 3}{sup +} and SiF{sup +} ions from a Cu(100) single crystal surface has been investigated in the incident energy range from 5 eV to 200 eV with a scattering angle of 77deg. The scattered ion intensity of dissociative ions and parent molecular ions were measured as a function of incident ion energy. The observed data show that onset energies of dissociation for SiF{sub 3}{sup +} and SiF{sup +} ions are 30 eV and 40 eV, respectively. The obtained threshold energies are consistent with a impulsive collision model where the dissociation of incident ion is caused by vibrational excitation during collision. (author)

  1. Kinetics of the urea-induced dissociation of human plasma alpha-2-macroglobulin as measured by small-angle neutron scattering

    DEFF Research Database (Denmark)

    Sjöberg, B.; Pap, S.; Järnberg, S.-E.;

    1991-01-01

    The kinetics of the urea-induced dissociation of human plasma alpha-2-macroglobulin into two half-molecular fragments was investigated at 21.0-degrees-C by using small-angle neutron scattering. The relative change in molecular mass that occurs upon dissociation was monitored by recording...... with a drastic change in structure. This is directly shown by the radius of gyration, which increases from about 7.4 nm immediately after the addition of urea up to about 9.4 nm when the protein is fully dissociated. A structural analysis shows that the scattering curve of urea-dissociated alpha-2-macroglobulin...... the forward scattering of neutrons as a function of time. All these kinetic data can be explained by a reaction that is first-order with respect to the concentration of undissociated alpha-2-macroglobulin. The velocity constant is a function of urea concentration and it varies within wide limits. For instance...

  2. Active chemisorption sites in functionalized ionic liquids for carbon capture.

    Science.gov (United States)

    Cui, Guokai; Wang, Jianji; Zhang, Suojiang

    2016-07-25

    Development of novel technologies for the efficient and reversible capture of CO2 is highly desired. In the last decade, CO2 capture using ionic liquids has attracted intensive attention from both academia and industry, and has been recognized as a very promising technology. Recently, a new approach has been developed for highly efficient capture of CO2 by site-containing ionic liquids through chemical interaction. This perspective review focuses on the recent advances in the chemical absorption of CO2 using site-containing ionic liquids, such as amino-based ionic liquids, azolate ionic liquids, phenolate ionic liquids, dual-functionalized ionic liquids, pyridine-containing ionic liquids and so on. Other site-containing liquid absorbents such as amine-based solutions, switchable solvents, and functionalized ionic liquid-amine blends are also investigated. Strategies have been discussed for how to activate the existent reactive sites and develop novel reactive sites by physical and chemical methods to enhance CO2 absorption capacity and reduce absorption enthalpy. The carbon capture mechanisms of these site-containing liquid absorbents are also presented. Particular attention has been paid to the latest progress in CO2 capture in multiple-site interactions by amino-free anion-functionalized ionic liquids. In the last section, future directions and prospects for carbon capture by site-containing ionic liquids are outlined.

  3. The Effectiveness of Classroom Capture Technology

    Science.gov (United States)

    Ford, Maire B.; Burns, Colleen E.; Mitch, Nathan; Gomez, Melissa M.

    2012-01-01

    The use of classroom capture systems (systems that capture audio and video footage of a lecture and attempt to replicate a classroom experience) is becoming increasingly popular at the university level. However, research on the effectiveness of classroom capture systems in the university classroom has been limited due to the recent development and…

  4. Marker-Free Human Motion Capture

    DEFF Research Database (Denmark)

    Grest, Daniel

    Human Motion Capture is a widely used technique to obtain motion data for animation of virtual characters. Commercial optical motion capture systems are marker-based. This book is about marker-free motion capture and its possibilities to acquire motion from a single viewing direction. The focus...

  5. Childhood trauma and eating psychopathology: a mediating role for dissociation and emotion dysregulation?

    Science.gov (United States)

    Moulton, Stuart J; Newman, Emily; Power, Kevin; Swanson, Vivien; Day, Kenny

    2015-01-01

    The present study examined the relationship between different forms of childhood trauma and eating psychopathology using a multiple mediation model that included emotion dysregulation and dissociation as hypothesised mediators. 142 female undergraduate psychology students studying at two British Universities participated in this cross-sectional study. Participants completed measures of childhood trauma (emotional abuse, physical abuse, sexual abuse, emotional neglect and physical neglect), eating psychopathology, dissociation and emotion dysregulation. Multiple mediation analysis was conducted to investigate the study's proposed model. Results revealed that the multiple mediation model significantly predicted eating psychopathology. Additionally, both emotion dysregulation and dissociation were found to be significant mediators between childhood trauma and eating psychopathology. A specific indirect effect was observed between childhood emotional abuse and eating psychopathology through emotion dysregulation. Findings support previous research linking childhood trauma to eating psychopathology. They indicate that multiple forms of childhood trauma should be assessed for individuals with eating disorders. The possible maintaining role of emotion regulation processes should also be considered in the treatment of eating disorders.

  6. A DFT theoretical study of CH4 dissociation on gold-alloyed Ni(111) surface

    Institute of Scientific and Technical Information of China (English)

    Hongyan Liu; Ruixia Yan; Riguang Zhang; Baojun Wang; Kechang Xie

    2011-01-01

    A density-functional theory (DFT) method has been conducted to systematically investigate the adsorption of CHx (x =0~4) as well as the dissociation of CHx (x =1~4) on (111) facets of gold-alloyed Ni surface.The results have been compared with those obtained on pure Ni(111) surface.It shows that the adsorption energies of CHx (x =1 ~3) are lower,and the reaction barriers of CH4 dissociation are higher in the first and the fourth steps on gold-alloyed Ni(111) compared with those on pure Ni(111).In particular,the rate-determining step for CH4 dissociation is considered as the first step of dehydrogenation on gold-alloyed Ni(111),while it is the fourth step of dehydrogenation on pure Ni(111).Furthermore,the activation barrier in rate-determining step is higher by 0.41 eV on gold-alloyed Ni(111) than that on pure Ni(111).From above results,it can be concluded that carbon is not easy to form on gold-alloyed Ni(111) compared with that on pure Ni(111).

  7. Hypothalamic-Pituitary-Adrenal Axis Function in Dissociative Disorders, PTSD, and Healthy Volunteers

    Science.gov (United States)

    Simeon, Daphne; Knutelska, Margaret; Yehuda, Rachel; Putnam, Frank; Schmeidler, James; Smith, Lisa M.

    2007-01-01

    Background This study investigated basal and stress-induced HPA axis alterations in dissociative disorders (DD). Methods Forty-six subjects with DD without lifetime PTSD, 35 subjects with PTSD, and 58 HC subjects, free of current major depression, were studied as inpatients. After a 24-hour urine collection and hourly blood sampling for ambient cortisol determination, a low-dose dexamethasone suppression test was administered, followed by the Trier Social Stress Test. Results The DD group had significantly elevated urinary cortisol compared to the HC group, more pronounced in the absence of lifetime major depression, whereas the PTSD and HC groups did not differ. The DD group demonstrated significantly greater resistance to, and faster escape from, dexamethasone suppression compared to the HC group, whereas the PTSD and HC groups did not differ. The three groups did not differ in cortisol stress reactivity, but both psychiatric groups demonstrated a significant inverse correlation between dissociation severity and cortisol reactivity, after controlling for all other symptomatology. The PTSD subgroup with comorbid DD tended to have blunted reactivity compared to the HC group. Conclusions The study demonstrates a distinct pattern of HPA axis dysregulation in DD, emphasizing the importance of further study of stress response systems in dissociative psychopathology. PMID:17137559

  8. Modeling of dissociation and energy transfer in shock-heated nitrogen flows

    Energy Technology Data Exchange (ETDEWEB)

    Munafò, A., E-mail: munafo@illinois.edu [Department of Aerospace Engineering, University of Illinois at Urbana-Champaign, Talbot Laboratory, 104 S. Wright St., Urbana, Illinois 61801 (United States); NASA Ames Research Center, Moffett Field, California 94035 (United States); Liu, Y., E-mail: yen.liu@nasa.gov [NASA Ames Research Center, Moffett Field, California 94035 (United States); Panesi, M., E-mail: mpanesi@illinois.edu [Department of Aerospace Engineering, University of Illinois at Urbana-Champaign, Talbot Laboratory, 104 S. Wright St., Urbana, Illinois 61801 (United States)

    2015-12-15

    This work addresses the modeling of dissociation and energy transfer processes in shock heated nitrogen flows by means of the maximum entropy linear model and a newly proposed hybrid bin vibrational collisional model. Both models aim at overcoming two of the main limitations of the state of the art non-equilibrium models: (i) the assumption of equilibrium between rotational and translational energy modes of the molecules and (ii) the reliance on the quasi-steady-state distribution for the description of the population of the internal levels. The formulation of the coarse-grained models is based on grouping the energy levels into bins, where the population is assumed to follow a Maxwell-Boltzmann distribution at its own temperature. Different grouping strategies are investigated. Following the maximum entropy principle, the governing equations are obtained by taking the zeroth and first-order moments of the rovibrational master equations. The accuracy of the proposed models is tested against the rovibrational master equation solution for both flow quantities and population distributions. Calculations performed for free-stream velocities ranging from 5 km/s to 10 km/s demonstrate that dissociation can be accurately predicted by using only 2-3 bins. It is also shown that a multi-temperature approach leads to an under-prediction of dissociation, due to the inability of the former to account for the faster excitation of high-lying vibrational states.

  9. Kinetics of dissociative adsorption of formic acid on electrodes of tetrahexahedral platinum nanocrystals

    Institute of Scientific and Technical Information of China (English)

    2009-01-01

    In the present paper we study the kinetics of dissociative adsorption of formic acid on the electrode of tetrahexahedral platinum nanocrystals (THH Pt NCs). In situ FTIR spectroscopic results demonstrate that HCOOH can be oxidized to CO2 at a low potential (-0.2 V(SCE)) on the THH Pt NCs electrode, and the chemical bonds inside formic acid molecule are broken to form adsorbed COL species. The kinetics of the dissociative adsorption of HCOOH was quantitatively investigated by employing programmed potential step technique. It has been determined that, in 5 × 10-3 mol·L-1 HCOOH + 0.1 mol·L-1 H2SO4 solution, the maximal value of the average rate (υamax) of dissociative adsorption of HCOOH on a commercial Pt/C catalyst electrode is 8.58 × 10-10 mol·cm-2·s-1, while on the THH Pt NCs the υamax is 1.5 times larger than the υamax measured on Pt/C and reaches 13.19 × 10-10 mol·cm-2·s-1. The results have revealed that the reactivity of the THH Pt NCs is much higher than that of the Pt/C catalysts.

  10. Hole localization, water dissociation mechanisms, and band alignment at aqueous-titania interfaces

    Science.gov (United States)

    Lyons, John L.

    Photocatalytic water splitting is a promising method for generating clean energy, but materials that can efficiently act as photocatalysts are scarce. This is in part due to the fact that exposure to water can strongly alter semiconductor surfaces and therefore photocatalyst performance. Many materials are not stable in aqueous environments; in other cases, local changes in structure may occur, affecting energy-level alignment. Even in the simplest case, dynamic fluctuations modify the organization of interface water. Accounting for such effects requires knowledge of the dominant local structural motifs and also accurate semiconductor band-edge positions, making quantitative prediction of energy-level alignments computationally challenging. Here we employ a combined theoretical approach to study the structure, energy alignment, and hole localization at aqueous-titania interfaces. We calculate the explicit aqueous-semiconductor interface using ab initio molecular dynamics, which provides the fluctuating atomic structure, the extent of water dissociation, and the resulting electrostatic potential. For both anatase and rutile TiO2 we observe spontaneous water dissociation and re-association events that occur via distinct mechanisms. We also find a higher-density water layer occurring on anatase. In both cases, we find that the second monolayer of water plays a crucial role in controlling the extent of water dissociation. Using hybrid functional calculations, we then investigate the propensity for dissociated waters to stabilize photo-excited carriers, and compare the results of rutile and anatase aqueous interfaces. Finally, we use the GW approach from many-body perturbation theory to obtain the position of semiconductor band edges relative to the occupied 1b1 level and thus the redox levels of water, and examine how local structural modifications affect these offsets. This work was performed in collaboration with N. Kharche, M. Z. Ertem, J. T. Muckerman, and M. S

  11. ALE meta-analysis reveals dissociable networks for affective and discriminative aspects of touch.

    Science.gov (United States)

    Morrison, India

    2016-04-01

    Emotionally-laden tactile stimulation-such as a caress on the skin or the feel of velvet-may represent a functionally distinct domain of touch, underpinned by specific cortical pathways. In order to determine whether, and to what extent, cortical functional neuroanatomy supports a distinction between affective and discriminative touch, an activation likelihood estimate (ALE) meta-analysis was performed. This meta-analysis statistically mapped reported functional magnetic resonance imaging (fMRI) activations from 17 published affective touch studies in which tactile stimulation was associated with positive subjective evaluation (n = 291, 34 experimental contrasts). A separate ALE meta-analysis mapped regions most likely to be activated by tactile stimulation during detection and discrimination tasks (n = 1,075, 91 experimental contrasts). These meta-analyses revealed dissociable regions for affective and discriminative touch, with posterior insula (PI) more likely to be activated for affective touch, and primary somatosensory cortices (SI) more likely to be activated for discriminative touch. Secondary somatosensory cortex had a high likelihood of engagement by both affective and discriminative touch. Further, meta-analytic connectivity (MCAM) analyses investigated network-level co-activation likelihoods independent of task or stimulus, across a range of domains and paradigms. Affective-related PI and discriminative-related SI regions co-activated with different networks, implicated in dissociable functions, but sharing somatosensory co-activations. Taken together, these meta-analytic findings suggest that affective and discriminative touch are dissociable both on the regional and network levels. However, their degree of shared activation likelihood in somatosensory cortices indicates that this dissociation reflects functional biases within tactile processing networks, rather than functionally and anatomically distinct pathways.

  12. Reversible heat-induced dissociation of β2-microglobulin amyloid fibrils.

    Science.gov (United States)

    Kardos, József; Micsonai, András; Pál-Gábor, Henriett; Petrik, Éva; Gráf, László; Kovács, János; Lee, Young-Ho; Naiki, Hironobu; Goto, Yuji

    2011-04-19

    Recent progress in the field of amyloid research indicates that the classical view of amyloid fibrils, being irreversibly formed highly stable structures resistant to perturbating conditions and proteolytic digestion, is getting more complex. We studied the thermal stability and heat-induced depolymerization of amyloid fibrils of β(2)-microglobulin (β2m), a protein responsible for dialysis-related amyloidosis. We found that freshly polymerized β2m fibrils at 0.1-0.3 mg/mL concentration completely dissociated to monomers upon 10 min incubation at 99 °C. Fibril depolymerization was followed by thioflavin-T fluorescence and circular dichroism spectroscopy at various temperatures. Dissociation of β2m fibrils was found to be a reversible and dynamic process reaching equilibrium between fibrils and monomers within minutes. Repolymerization experiments revealed that the number of extendable fibril ends increased significantly upon incubation at elevated temperatures suggesting that the mechanism of fibril unfolding involves two distinct processes: (1) dissociation of monomers from the fibril ends and (2) the breakage of fibrils. The breakage of fibrils may be an important in vivo factor multiplying the number of fibril nuclei and thus affecting the onset and progress of disease. We investigated the effects of some additives and different factors on the stability of amyloid fibrils. Sample aging increased the thermal stability of β2m fibril solution. 0.5 mM SDS completely prevented β2m fibrils from dissociation up to the applied highest temperature of 99 °C. The generality of our findings was proved on fibrils of K3 peptide and α-synuclein. Our simple method may also be beneficial for screening and developing amyloid-active compounds for therapeutic purposes.

  13. Ultrafast studies of photodissociation in solution: Dissociation, recombination and relaxation

    Energy Technology Data Exchange (ETDEWEB)

    King, Jason Christopher [Univ. of California, Berkeley, CA (United States)

    1995-05-01

    Photodissociation of M(CO)6 (M=Cr,Mo,W) and the formation of solvated M(CO)5•S complex was studied in cyclohexane; rate-limiting step is vibrational energy relaxation from the new bond to the solvent. For both M=Cr and Mo, the primary relaxation occurs in 18 ps; for Cr, there is an additional vibrational relaxation (150 ps time scale) of a CO group poorly coupled to other modes. Relaxation of M=W occurs in 42 ps; several possible mechanisms for the longer cooling are discussed. Vibrational relaxation is also investigated for I2- and IBr- in nonpolar and slightly polar solvents. Attempts were made to discover the mechanism for the fast energy transfer in nonpolar solvent. The longer time scale dynamics of I3- and IBr2- were also studied; both formed a metastable complex following photodissociation and 90-95% return to ground state in 100 ps, implying a barrier to recombination of 4.3 kcal/mol and a barrier to escape of ≥5.5 kcal/mol. The more complex photochemistry of M3(CO)12 (M=Fe,Ru) is also investigated, using visible and ultraviolet radiations, dissociation, geminate recombination, vibrational relaxation, and bridging structures and their reactions were studied. Attempts were made to extend ultrafast spectroscopy into the mid-infrared, but signal-to-noise was poor.

  14. Bond dissociation mechanism of ethanol during carbon nanotube synthesis via alcohol catalytic CVD technique: Ab initio molecular dynamics simulation

    Science.gov (United States)

    Oguri, Tomoya; Shimamura, Kohei; Shibuta, Yasushi; Shimojo, Fuyuki; Yamaguchi, Shu

    2014-03-01

    Dissociation of ethanol on a nickel cluster is investigated by ab initio molecular dynamics simulation to reveal the bond dissociation mechanism of carbon source molecules during carbon nanotube synthesis. C-C bonds in only CHxCO fragments are dissociated on the nickel cluster, whereas there is no preferential structure among the fragments for C-O bond dissociation. The dissociation preference is uncorrelated with the bond dissociation energy of corresponding bonds in freestanding molecules but is correlated with the energy difference between fragment molecules before and after dissociation on the nickel surface. Moreover, carbon-chain formation occurs after C-C bond dissociation in a continuous simulation. What determines the chirality of CNTs? What happens at the dissociation stage of carbon source molecules? Regarding the former question, many researchers have pointed out the good epitaxial relationship between a graphite network and a close-packed facet (i.e., fcc(1 1 1) or hcp(0 0 0 1)) of transition metals [17-19]. Therefore, the correlation between the chirality of CNTs and the angle of the step edge on metal (or metal carbide) surfaces has been closely investigated [20-22]. In association with this geometric matching, the epitaxial growth of graphene on Cu(1 1 1) and Ni(1 1 1) surfaces has recently been achieved via CCVD technique [23-25], which is a promising technique for the synthesis of large-area and monolayer graphene.Regarding the latter question, it is empirically known that the yield and quality of CNT products strongly depend on the choice of carbon source molecules and additives. For example, it is well known that the use of ethanol as carbon source molecules yields a large amount of SWNTs without amorphous carbons (called the alcohol CCVD (ACCVD) technique) compared with the CCVD process using hydrocarbons [4]. Moreover, the addition of a small amount of water dramatically enhances the activity and lifetime of the catalytic metal (called the

  15. Captured metagenomics: large-scale targeting of genes based on 'sequence capture' reveals functional diversity in soils.

    Science.gov (United States)

    Manoharan, Lokeshwaran; Kushwaha, Sandeep K; Hedlund, Katarina; Ahrén, Dag

    2015-12-01

    Microbial enzyme diversity is a key to understand many ecosystem processes. Whole metagenome sequencing (WMG) obtains information on functional genes, but it is costly and inefficient due to large amount of sequencing that is required. In this study, we have applied a captured metagenomics technique for functional genes in soil microorganisms, as an alternative to WMG. Large-scale targeting of functional genes, coding for enzymes related to organic matter degradation, was applied to two agricultural soil communities through captured metagenomics. Captured metagenomics uses custom-designed, hybridization-based oligonucleotide probes that enrich functional genes of interest in metagenomic libraries where only probe-bound DNA fragments are sequenced. The captured metagenomes were highly enriched with targeted genes while maintaining their target diversity and their taxonomic distribution correlated well with the traditional ribosomal sequencing. The captured metagenomes were highly enriched with genes related to organic matter degradation; at least five times more than similar, publicly available soil WMG projects. This target enrichment technique also preserves the functional representation of the soils, thereby facilitating comparative metagenomics projects. Here, we present the first study that applies the captured metagenomics approach in large scale, and this novel method allows deep investigations of central ecosystem processes by studying functional gene abundances.

  16. Electron capture by highly charged ions from surfaces and gases

    Energy Technology Data Exchange (ETDEWEB)

    Allen, F.

    2008-01-11

    In this study highly charged ions produced in Electron Beam Ion Traps are used to investigate electron capture from surfaces and gases. The experiments with gas targets focus on spectroscopic measurements of the K-shell x-rays emitted at the end of radiative cascades following electron capture into Rydberg states of Ar{sup 17+} and Ar{sup 18+} ions as a function of collision energy. The ions are extracted from an Electron Beam Ion Trap at an energy of 2 keVu{sup -1}, charge-selected and then decelerated down to 5 eVu{sup -1} for interaction with an argon gas target. For decreasing collision energies a shift to electron capture into low orbital angular momentum capture states is observed. Comparative measurements of the K-shell x-ray emission following electron capture by Ar{sup 17+} and Ar{sup 18+} ions from background gas in the trap are made and a discrepancy in the results compared with those from the extraction experiments is found. Possible explanations are discussed. For the investigation of electron capture from surfaces, highly charged ions are extracted from an Electron Beam Ion Trap at energies of 2 to 3 keVu{sup -1}, charge-selected and directed onto targets comprising arrays of nanoscale apertures in silicon nitride membranes. The highly charged ions implemented are Ar{sup 16+} and Xe{sup 44+} and the aperture targets are formed by focused ion beam drilling in combination with ion beam assisted thin film deposition, achieving hole diameters of 50 to 300 nm and aspect ratios of 1:5 to 3:2. After transport through the nanoscale apertures the ions pass through an electrostatic charge state analyzer and are detected. The percentage of electron capture from the aperture walls is found to be much lower than model predictions and the results are discussed in terms of a capillary guiding mechanism. (orig.)

  17. Mercury capture by selected Bulgarian fly ashes: Influence of coal rank and fly ash carbon pore structure on capture efficiency

    Science.gov (United States)

    Kostova, I.J.; Hower, J.C.; Mastalerz, Maria; Vassilev, S.V.

    2011-01-01

    Mercury capture by fly ash C was investigated at five lignite- and subbituminous-coal-burning Bulgarian power plants (Republika, Bobov Dol, Maritza East 2, Maritza East 3, and Sliven). Although the C content of the ashes is low, never exceeding 1.6%, the Hg capture on a unit C basis demonstrates that the low-rank-coal-derived fly ash carbons are more efficient in capturing Hg than fly ash carbons from bituminous-fired power plants. While some low-C and low-Hg fly ashes do not reveal any trends of Hg versus C, the 2nd and, in particular, the 3rd electrostatic precipitator (ESP) rows at the Republika power plant do have sufficient fly ash C range and experience flue gas sufficiently cool to capture measurable amounts of Hg. The Republika 3rd ESP row exhibits an increase in Hg with increasing C, as observed in other power plants, for example, in Kentucky power plants burning Appalachian-sourced bituminous coals. Mercury/C decreases with an increase in fly ash C, suggesting that some of the C is isolated from the flue gas stream and does not contribute to Hg capture. Mercury capture increases with an increase in Brunauer-Emmett-Teller (BET) surface area and micropore surface area. The differences in Hg capture between the Bulgarian plants burning low-rank coal and high volatile bituminous-fed Kentucky power plants suggests that the variations in C forms resulting from the combustion of the different ranks also influence the efficiency of Hg capture. ?? 2010 Elsevier Ltd.

  18. The dissociative experiences taxon is related to fantasy proneness.

    Science.gov (United States)

    Giesbrecht, Timo; Merckelbach, Harald; Geraerts, Elke

    2007-09-01

    Some authors have argued that nonpathological dissociation should be distinguished from a taxon form of pathological dissociation, which is indexed by the Dissociative Experiences Scale Taxon (DES-T). We tested to what extent DES-T scores are independent from fantasy immersion and whether DES-T scores are uniquely related to trauma self-reports. To this end, subsamples of undergraduate students (n = 930), healthy adults (n = 20), schizophrenic patients (n = 22), borderline personality disordered patients (n = 20), patients with mood disorder without psychosis (n = 19), and women with a history of childhood sexual abuse (n = 55) completed the Dissociative Experiences Scale and a measure of fantasy immersion. DES-T scores were related to absorption and fantasy immersion to a lesser extent than the original DES. However, the fact that nontrivial percentages within all groups, except for the healthy adults, were classified as taxon members casts doubts on the assumption that DES-T is a reliable index of pathological dissociation. Also, we found that the DES-T was not exclusively related to reports of childhood sexual abuse.

  19. Halo Effect on Direct Neutron Capture Process

    Institute of Scientific and Technical Information of China (English)

    刘祖华; 周宏余

    2004-01-01

    We calculate the capture cross sections of the 10Be(n,γ) 11 Be reaction by means of the asymptotic normalization coefficient method and demonstrate the halo effects on the capture cross sections for the direct radiative neutron capture where a p-, s- or d-wave neutron is captured into an s-orbit or p-orbit in 11 Be by emitting an E1 γ-ray,respectively. The result shows that the enormous enhancement of the capture cross section is just due to the large overlap of the incident neutron wave with the extended tail of the halo, which is clearly illustrated by the reduced transition amplitude function.

  20. Microcanonical unimolecular rate theory at surfaces. I. Dissociative chemisorption of methane on Pt(111)

    Science.gov (United States)

    Bukoski, A.; Blumling, D.; Harrison, I.

    2003-01-01

    A model of gas-surface reactivity is developed based on the ideas that (a) adsorbate chemistry is a local phenomenon, (b) the active system energy of an adsorbed molecule and a few immediately adjacent surface atoms suffices to fix microcanonical rate constants for surface kinetic processes such as desorption and dissociation, and (c) energy exchange between the local adsorbate-surface complexes and the surrounding substrate can be modeled via a Master equation to describe the system/heat reservoir coupling. The resulting microcanonical unimolecular rate theory (MURT) for analyzing and predicting both thermal equilibrium and nonequilibrium kinetics for surface reactions is applied to the dissociative chemisorption of methane on Pt(111). Energy exchange due to phonon-mediated energy transfer between the local adsorbate-surface complexes and the surface is explored and estimated to be insignificant for the reactive experimental conditions investigated here. Simulations of experimental molecular beam data indicate that the apparent threshold energy for CH4 dissociative chemisorption on Pt(111) is E0=0.61 eV (over a C-H stretch reaction coordinate), the local adsorbate-surface complex includes three surface oscillators, and the pooled energy from 16 active degrees of freedom is available to help surmount the dissociation barrier. For nonequilibrium molecular beam experiments, predictions are made for the initial methane dissociative sticking coefficient as a function of isotope, normal translational energy, molecular beam nozzle temperature, and surface temperature. MURT analysis of the thermal programmed desorption of CH4 physisorbed on Pt(111) finds the physisorption well depth is 0.16 eV. Thermal equilibrium dissociative sticking coefficients for methane on Pt(111) are predicted for the temperature range from 250-2000 K. Tolman relations for the activation energy under thermal equilibrium conditions and for a variety of "effective activation energies" under

  1. Capture of Irregular Satellites at Jupiter

    CERN Document Server

    Nesvorny, D; Deienno, R

    2014-01-01

    The irregular satellites of outer planets are thought to have been captured from heliocentric orbits. The exact nature of the capture process, however, remains uncertain. We examine the possibility that irregular satellites were captured from the planetesimal disk during the early Solar System instability when encounters between the outer planets occurred (Nesvorny, Vokrouhlicky & Morbidelli 2007, AJ 133; hereafter NVM07). NVM07 already showed that the irregular satellites of Saturn, Uranus and Neptune were plausibly captured during planetary encounters. Here we find that the current instability models present favorable conditions for capture of irregular satellites at Jupiter as well, mainly because Jupiter undergoes a phase of close encounters with an ice giant. We show that the orbital distribution of bodies captured during planetary encounters provides a good match to the observed distribution of irregular satellites at Jupiter. The capture efficiency for each particle in the original transplanetary d...

  2. Radiative muon capture with the TRIUMF TPC

    Energy Technology Data Exchange (ETDEWEB)

    Hasinoff, M.D.; Ahmad, S.; Armstrong, D.S.; Azuelos, G.; Blecher, M.; Burnham, R.A.; Clifford, E.T.H.; Depommier, P.; Gorringe, T.P.; Larabee, A.J.

    1988-09-01

    Radiative muon capture (RMC), ..mu../sup /minus//Z ..-->.. ..nu..(Z/minus/1)..gamma.., is a weak semileptonic process which is particularly sensitive to the induced pseudoscalar coupling constant, g/sub p/, of the weak hadronic current. A program is underway at TRIUMF to measure the energy spectrum and branching ratio for RMC on hydrogen, to determine g/sub p/ for a free nucleon. As a precursor to the hydrogen measurement, and also to investigate possible renormalization of g/sub p/ in nuclei, RMC rates on /sup 40/Ca, /sup 16/O and /sup 12/C were measured and are reported in this paper. 7 refs., 6 figs., 1 tab.

  3. Spectromicroscopy in Boron Neutron Capture Therapy Research

    Science.gov (United States)

    Gilbert, Benjamin; Redondo, Jose; Andres, Roger; Suda, Takashi; Neumann, Michael; Steen, Steffi; Gabel, Detlef; Mercanti, Delio; Ciotti, Teresa; Perfetti, Paolo; Margaritondo, Giorgio; de Stasio, Gelsomina

    1998-03-01

    The MEPHISTO synchrotron imaging spectromicroscope can analyse ashed cells or tissue sections to reveal the microdistribution of trace elements. MEPHISTO performs core level x-ray absorption spectroscopy with synchrotron radiation, and uses an electron optics system to provide magnified photoelectron images. An application of the MEPHISTO spectromicroscope is in boron neutron capture therapy (BNCT). BNCT is a binary cancer therapy that will selectively destroy cancer cells provided that compounds containing a boron isotope are selectively accumulated in tumor tissue. Important factors for the success of BNCT include the ability to target every cancer cell, and the distribution of boron inside the cell. To investigate the boron distribution in tissue, sections of human glioblastoma containing a BNCT compound, and stained with nickel against a protein found in the nuclei of proliferating (cancer) cells, were studied with MEPHISTO.

  4. Cage-based performance capture

    CERN Document Server

    Savoye, Yann

    2014-01-01

    Nowadays, highly-detailed animations of live-actor performances are increasingly easier to acquire and 3D Video has reached considerable attentions in visual media production. In this book, we address the problem of extracting or acquiring and then reusing non-rigid parametrization for video-based animations. At first sight, a crucial challenge is to reproduce plausible boneless deformations while preserving global and local captured properties of dynamic surfaces with a limited number of controllable, flexible and reusable parameters. To solve this challenge, we directly rely on a skin-detached dimension reduction thanks to the well-known cage-based paradigm. First, we achieve Scalable Inverse Cage-based Modeling by transposing the inverse kinematics paradigm on surfaces. Thus, we introduce a cage inversion process with user-specified screen-space constraints. Secondly, we convert non-rigid animated surfaces into a sequence of optimal cage parameters via Cage-based Animation Conversion. Building upon this re...

  5. Muon capture by silicon 28

    Energy Technology Data Exchange (ETDEWEB)

    Armstrong, D.S. [College of William and Mary, Williamsburg, VA (United States). Dept. of Physics; Bauer, J. [Kentucky Univ., Lexington, KY (United States). Dept. of Physics; Evans, J. [Kentucky Univ., Lexington, KY (United States). Dept. of Physics; Gorringe, T.P. [Kentucky Univ., Lexington, KY (United States). Dept. of Physics; Johnson, B.L. [Kentucky Univ., Lexington, KY (United States). Dept. of Physics; Kalvoda, S. [Kentucky Univ., Lexington, KY (United States). Dept. of Physics; Porter, R. [Kentucky Univ., Lexington, KY (United States). Dept. of Physics; Siebels, B. [Kentucky Univ., Lexington, KY (United States). Dept. of Physics; Gete, E. [British Columbia Univ., Vancouver, BC (Canada). Dept. of Physics; Measday, D.F. [British Columbia Univ., Vancouver, BC (Canada). Dept. of Physics; Moftah, B.A. [British Columbia Univ., Vancouver, BC (Canada). Dept. of Physics; Stanislaus, S. [Valparaiso Univ., IN (United States). Dept. of Physics

    1996-12-01

    A measurement has been made of the angular correlation of the neutrino with the 1229 keV {gamma}-ray from the de-excitation of the 2201 keV 1{sup +} level in aluminum-28, following muon capture in silicon-28. To suppress the neutron-induced background in the HPGe detector, a coincidence in a NaI array is required with the 942 keV {gamma}-ray in the de-excitation cascade. The lifetime of the 2201 keV level is found to be 61{+-}4{+-}9 fs. The correlation coefficient {alpha} is found to be 0.36{+-}0.06 implying g{sub P}/g{sub A}=0{sup +3.5}{sub -3}. (orig.).

  6. Are UNDP Indices Appropriate to Capture Gender Inequalities in Europe?

    Science.gov (United States)

    Permanyer, Inaki

    2013-01-01

    This study critically investigates the suitability of United Nations' composite indices and other related measures--among which the Gender Inequality Index just released in 2010--to capture gender inequalities in the context of "highly developed" countries, focusing on the case of Europe. Our results indicate that many of the gender gaps…

  7. CO2 Capture with Ionic Liquids: Experiments and Molecular Simulations

    NARCIS (Netherlands)

    Ramdin, M.

    2015-01-01

    In this thesis, we investigated the potential of physical ILs for CO2 capture at pre-combustion and natural gas sweetening conditions. The performance of ILs with respect to conventional solvents is assessed in terms of gas solubilities and selectivities. The work discussed in this thesis consists o

  8. Capturing Individual Uptake: Toward a Disruptive Research Methodology

    Science.gov (United States)

    Bastian, Heather

    2015-01-01

    This article presents and illustrates a qualitative research methodology for studies of uptake. It does so by articulating a theoretical framework for qualitative investigations of uptake and detailing a research study designed to invoke and capture students' uptakes in a first-year writing classroom. The research design sought to make uptake…

  9. Capture and inception of bubbles near line vortices

    NARCIS (Netherlands)

    Oweis, G.F.; Van der Hout, I.E.; Tryggvason, G.; Ceccio, S.L.

    2005-01-01

    Motivated by the need to predict vortex cavitation inception, a study has been conducted to investigate bubble capture by a concentrated line vortex of core size rc and circulation Γ0 under noncavitating and cavitating conditions. Direct numerical simulations that solve simultaneously for the two ph

  10. Reaction paths of phosphine dissociation on silicon (001)

    Energy Technology Data Exchange (ETDEWEB)

    Warschkow, O.; McKenzie, D. R. [Centre for Quantum Computation and Communication Technology, School of Physics, The University of Sydney, Sydney, NSW 2006 (Australia); Curson, N. J. [Centre for Quantum Computation and Communication Technology, School of Physics, The University of New South Wales, Sydney, NSW 2052 (Australia); London Centre for Nanotechnology and Department of Electronic and Electrical Engineering, University College London, 17-19 Gordon Street, London WC1H 0AH (United Kingdom); Schofield, S. R. [Centre for Quantum Computation and Communication Technology, School of Physics, The University of New South Wales, Sydney, NSW 2052 (Australia); London Centre for Nanotechnology and Department of Physics and Astronomy, University College, 17-19 Gordon Street, London WC1H 0AH (United Kingdom); Marks, N. A. [Centre for Quantum Computation and Communication Technology, School of Physics, The University of Sydney, Sydney, NSW 2006 (Australia); Discipline of Physics & Astronomy, Curtin University, GPO Box U1987, Perth, WA (Australia); Wilson, H. F. [Centre for Quantum Computation and Communication Technology, School of Physics, The University of Sydney, Sydney, NSW 2006 (Australia); CSIRO Virtual Nanoscience Laboratory, Parkville, VIC 3052 (Australia); School of Applied Sciences, RMIT University, Melbourne, VIC 3000 (Australia); Radny, M. W.; Smith, P. V. [School of Mathematical and Physical Sciences, The University of Newcastle, Callaghan, NSW 2308 (Australia); Reusch, T. C. G.; Simmons, M. Y. [Centre for Quantum Computation and Communication Technology, School of Physics, The University of New South Wales, Sydney, NSW 2052 (Australia)

    2016-01-07

    Using density functional theory and guided by extensive scanning tunneling microscopy (STM) image data, we formulate a detailed mechanism for the dissociation of phosphine (PH{sub 3}) molecules on the Si(001) surface at room temperature. We distinguish between a main sequence of dissociation that involves PH{sub 2}+H, PH+2H, and P+3H as observable intermediates, and a secondary sequence that gives rise to PH+H, P+2H, and isolated phosphorus adatoms. The latter sequence arises because PH{sub 2} fragments are surprisingly mobile on Si(001) and can diffuse away from the third hydrogen atom that makes up the PH{sub 3} stoichiometry. Our calculated activation energies describe the competition between diffusion and dissociation pathways and hence provide a comprehensive model for the numerous adsorbate species observed in STM experiments.

  11. Reaction paths of phosphine dissociation on silicon (001)

    Science.gov (United States)

    Warschkow, O.; Curson, N. J.; Schofield, S. R.; Marks, N. A.; Wilson, H. F.; Radny, M. W.; Smith, P. V.; Reusch, T. C. G.; McKenzie, D. R.; Simmons, M. Y.

    2016-01-01

    Using density functional theory and guided by extensive scanning tunneling microscopy (STM) image data, we formulate a detailed mechanism for the dissociation of phosphine (PH3) molecules on the Si(001) surface at room temperature. We distinguish between a main sequence of dissociation that involves PH2+H, PH+2H, and P+3H as observable intermediates, and a secondary sequence that gives rise to PH+H, P+2H, and isolated phosphorus adatoms. The latter sequence arises because PH2 fragments are surprisingly mobile on Si(001) and can diffuse away from the third hydrogen atom that makes up the PH3 stoichiometry. Our calculated activation energies describe the competition between diffusion and dissociation pathways and hence provide a comprehensive model for the numerous adsorbate species observed in STM experiments.

  12. Dissociative Identity Disorders in Korea: Two Recent Cases

    Science.gov (United States)

    Kim, Ilbin; 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 interview for dissociative disorders and possible differential diagnoses were ruled out by psychological, neuroimaging, and laboratory tests. The rapid transition to a Westernized, individualized society along with an increase in child abuse, might contribute to an increase in DID, previously under-diagnosed in this region. PMID:27081389

  13. Mechanisms of Peptide Fragmentation from Time-and Energy-Resolved Surface-Induced Dissociation Studies: Dissociation of Angiotensin Analogs

    Energy Technology Data Exchange (ETDEWEB)

    Laskin, Julia; Bailey, Thomas H.; Futrell, Jean H.

    2006-03-01

    Energetics and mechanism of dissociation of singly protonated angiotensin III (RVYIHPF) and its analogs RVYIFPF, RVYIYPF, RVYIHAF, and RVYIHDF was studied using surface-induced dissociation (SID) in a Fourier transform ion cyclotron resonance mass spectrometer (FT-ICR MS) specially configured for studying ion activation by collisions with surfaces. The energetics and dynamics of peptide fragmentation were deduced by modeling the time- and energy-resolved survival curves for each precursor ion using an RRKM based approach developed in our laboratory. Fragmentation mechanisms were inferred from comparison of time- and energy-resolved fragmentation efficiency curves (TFECs) of different fragment ions followed by RRKM modeling of dissociation of angiotensin III into six major families of fragment ions. Detailed modeling demonstrated that dissociation of these peptides is dominated by loss of ammonia from the precursor ion and characterized by a high energy barrier of 1.6 eV. Loss of NH3 and subsequent rearrangement of the MH-NH3 ion results in proton mobilization and release of ca. 30 kcal/mol into internal excitation of the MH-NH3 ion. The resulting highly excited ion accesses a variety of non-specific dissociation pathways with very high rate constants. Fast fragmentation of excited MH-NH3 ion forms a variety of abundant bn-NH3 and an-NH3 fragment ions. Abundant XH and HX internal fragments are also formed, reflecting the stability of histidine-containing diketopiperazine structures.

  14. Mechanisms of peptide fragmentation from time- and energy-resolved surface-induced dissociation studies: Dissociation of angiotensin analogs

    Science.gov (United States)

    Laskin, Julia; Bailey, Thomas H.; Futrell, Jean H.

    2006-03-01

    Energetics and mechanism of dissociation of singly protonated angiotensin III (RVYIHPF) and its analogs RVYIFPF, RVYIYPF, RVYIHAF and RVYIHDF was studied using surface-induced dissociation (SID) in a Fourier transform ion cyclotron resonance mass spectrometer (FT-ICR MS) specially configured for studying ion activation by collisions with surfaces. The energetics and dynamics of peptide fragmentation were deduced by modeling the time- and energy-resolved survival curves for each precursor ion using an RRKM-based approach developed in our laboratory. Fragmentation mechanisms were inferred from comparison of time- and energy-resolved fragmentation efficiency curves (TFECs) of different fragment ions followed by RRKM modeling of dissociation of angiotensin III into six major families of fragment ions. Detailed modeling demonstrated that dissociation of these peptides is dominated by loss of ammonia from the precursor ion and characterized by a high-energy barrier of 1.6 eV. Loss of NH3 and subsequent rearrangement of the MH+-NH3 ion results in proton mobilization and release of ca. 30 kcal/mol into internal excitation of the MH+-NH3 ion. The resulting highly excited ion accesses a variety of non-specific dissociation pathways with very high rate constants. Fast fragmentation of excited MH+-NH3 ion forms a variety of abundant bn-NH3 and an-NH3 fragment ions. Abundant XH and HX internal fragments are also formed, reflecting the stability of histidine-containing diketopiperazine structures.

  15. Effect of oxygen atoms dissociated by non-equilibrium plasma on flame of methane oxygen and argon pre-mixture gas

    Science.gov (United States)

    Akashi, Haruaki; Yoshinaga, Tomokazu; Sasaki, Koichi

    2014-10-01

    For more efficient way of combustion, plasma-assisted combustion has been investigated by many researchers. But it is very difficult to clarify the effect of plasma even on the flame of methane. Because there are many complex chemical reactions in combustion system. Sasaki et al. has reported that the flame length of methane and air premixed burner shortened by irradiating microwave power. They also measured emission from Second Positive Band System of nitrogen during the irradiation. The emission indicates existence of high energy electrons which are accelerated by the microwave. The high energy electrons also dissociate oxygen molecules easily and oxygen atom would have some effects on the flame. But the dissociation ratio of oxygen molecules by the non-equilibrium plasma is significantly low, compared to that in the combustion reaction. To clarify the effect of dissociated oxygen atoms on the flame, dependence of dissociation ratio of oxygen on the flame has been examined using CHEMKIN. It is found that in the case of low dissociation ratio of 10-6, the ignition of the flame becomes slightly earlier. It is also found that in the case of high dissociation ratio of 10-3, the ignition time becomes significantly earlier by almost half. This work was supported by KAKENHI (22340170).

  16. Dipolar dissociation dynamics in electron collisions with carbon monoxide

    CERN Document Server

    Chakraborty, Dipayan; Nandi, Dhananjay

    2016-01-01

    Dipolar dissociation processes in the electron collisions with carbon monoxide have been studied using time of flight (TOF) mass spectroscopy in combination with the highly differential velocity slice imaging (VSI) technique. Probing ion-pair states both positive and/or negative ions may be detected. The ion yield curve of negative ions provides the threshold energy for the ion-pair production. On the other hand, the kinetic energy distributions and angular distributions of the fragment anion provide detailed dynamics of the dipolar dissociation process. Two ion-pair states have been identified based on angular distribution measurements using VSI technique.

  17. Dissociative tendencies and memory performance on directed-forgetting tasks.

    Science.gov (United States)

    Devilly, Grant J; Ciorciari, Joseph; Piesse, Amy; Sherwell, Sarah; Zammit, Sonia; Cook, Fallon; Turton, Christie

    2007-03-01

    The current article presents two studies that aimed to replicate DePrince and Freyd's (2001, 2004) studies demonstrating that high and low dissociators differentially recall neutral and trauma words under conditions of varying cognitive load. We did not find this effect. This lack of replication was apparent for both free recall and word recognition memory and in both studies. In effect, we found little evidence to support betrayal trauma theory, yet observed increased memory fallibility, as demonstrated by lower general recall and (in one study) commission errors, in high dissociators.

  18. Novel features of $J/\\psi$ dissociation in matter

    CERN Document Server

    Sibirtsev, A A; Saitô, K; Thomas, A W

    2000-01-01

    We make a detailed study of the effect that the recently predicted modification of the in-medium masses of charmed mesons would have on $J/\\Psi$ dissociation on pion and $\\rho$-meson comovers in relativistic heavy ion collisions. We find a substantial dependence of the $J/\\Psi$ absorption rates on the density and temperature of the nuclear matter. This suggests that measurements of the change in $J/\\Psi$ dissociation in matter can now be used as a powerful tool to study the in-medium properties of the charmed mesons.

  19. Reaction pathways of the dissociation of methylal: A DFT study

    Energy Technology Data Exchange (ETDEWEB)

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

    1999-08-01

    Schemata for modelling combustion processes do not yet include reaction rates for oxygenated fuels like methylal (DMM) which is considered as an additive or replacement for diesel due to its low sooting propensity. Density functional theory (DFT) studies of the possible reaction pathways for different dissociation steps of methylal are presented. Cleavage of a hydrogen bond to the methoxy group or the central carbon atom were simulated at the BLYP/6-311++G{sup **} level of theory. The results are compared to the experiment when dissociating and/or ionising DMM with femtosecond pulses. (author) 1 fig., 1 tab., 1 ref.

  20. A theoretical study on ascorbic acid dissociation in water clusters.

    Science.gov (United States)

    Demianenko, Eugeniy; Ilchenko, Mykola; Grebenyuk, Anatoliy; Lobanov, Victor; Tsendra, Oksana

    2014-03-01

    Dissociation of ascorbic acid in water has been studied by using a cluster model. It was examined by density functional theory (DFT) with the В3LYP, M06, and wB97XD functionals and a 6-311++G(d,p) basis set. The thermodynamic and kinetic characteristics of proton transfer from ascorbic acid molecule to water clusters were calculated as well as the equilibrium constants (pK a ) for the related processes. The used functionals in the DFT method together with continuum solvent models provided results close to the experimental data for the dissociation constant of ascorbic acid in aqueous solution.

  1. Electron-driven excitations and dissociation of molecules

    Energy Technology Data Exchange (ETDEWEB)

    Miller, Greg [Univ. of California, Davis, CA (United States); Orel, Ann E. [Univ. of California, Davis, CA (United States)

    2015-02-13

    This program studied how energy is interchanged in electron and photon collisions with molecules leading to ex-citation and dissociation. Modern ab initio techniques, both for the photoionization and electron scattering, and the subsequent nuclear dynamics studies, are used to accurately treat these problems. This work addresses vibrational ex-citation and dissociative attachment following electron impact, and the dynamics following inner shell photoionzation. These problems are ones for which a full multi-dimensional treatment of the nuclear dynamics is essential and where non-adiabatic effects are expected to be important.

  2. Dissociating Face Identity and Facial Expression Processing Via Visual Adaptation

    Directory of Open Access Journals (Sweden)

    Hong Xu

    2012-10-01

    Full Text Available Face identity and facial expression are processed in two distinct neural pathways. However, most of the existing face adaptation literature studies them separately, despite the fact that they are two aspects from the same face. The current study conducted a systematic comparison between these two aspects by face adaptation, investigating how top- and bottom-half face parts contribute to the processing of face identity and facial expression. A real face (sad, “Adam” and its two size-equivalent face parts (top- and bottom-half were used as the adaptor in separate conditions. For face identity adaptation, the test stimuli were generated by morphing Adam's sad face with another person's sad face (“Sam”. For facial expression adaptation, the test stimuli were created by morphing Adam's sad face with his neutral face and morphing the neutral face with his happy face. In each trial, after exposure to the adaptor, observers indicated the perceived face identity or facial expression of the following test face via a key press. They were also tested in a baseline condition without adaptation. Results show that the top- and bottom-half face each generated a significant face identity aftereffect. However, the aftereffect by top-half face adaptation is much larger than that by the bottom-half face. On the contrary, only the bottom-half face generated a significant facial expression aftereffect. This dissociation of top- and bottom-half face adaptation suggests that face parts play different roles in face identity and facial expression. It thus provides further evidence for the distributed systems of face perception.

  3. Comparative approach to capture bacterial diversity in coastal waters

    DEFF Research Database (Denmark)

    Na, Hyunsoo; Kim, Ok-Sun; Yoon, Suk-hwan;

    2011-01-01

    to investigate the bacterial community structure of coastal seawater collected from the Yellow Sea, Korea. For culture-independent studies, we used the latest model pyrosequencer, Roche/454 Genome Sequencer FLX Titanium. Pyrosequencing captured a total of 52 phyla including 27 candidate divisions from the water...... column, whereas the traditional cloning approach captured only 15 phyla including 2 candidate divisions. In addition, of 878 genera retrieved, 92.1% of the sequences were unique to pyrosequencing. For culture-dependent analysis, plate culturing, plate washing, enrichment, and high-throughput culturing...

  4. Distinguishing between multiple personality disorder (dissociative identity disorder) and schizophrenia using the Structured Clinical Interview for DSM-IV Dissociative Disorders.

    Science.gov (United States)

    Steinberg, M; Cicchetti, D; Buchanan, J; Rakfeldt, J; Rounsaville, B

    1994-09-01

    The authors describe the systematic assessment of dissociative symptoms using the Structured Clinical Interview for DSM-IV Dissociative Disorders (SCID-D) in 50 psychiatric outpatients with a referring DSM-III-R diagnosis of either schizophrenia or schizoaffective disorder (N = 31) and subjects with multiple personality disorder (MPD [DSM-IV name change: dissociative identity disorder]; N = 19). Results indicate that patients with MPD experience significantly higher scores for five specific dissociative symptoms than patients with schizophrenia or schizoaffective disorder. The range, severity, and nature of the five dissociative symptom areas evaluated by the SCID-D distinguish MPD from the occasional occurrence of dissociative symptoms which may be seen in schizophrenia. Systematic assessment of dissociative symptoms using the SCID-D can assist in accurate differential diagnosis of MPD and schizophrenia.

  5. A review of the dissociative disorders: from multiple personality disorder to the posttraumatic stress

    Directory of Open Access Journals (Sweden)

    Modesto J. Romero-López

    Full Text Available In this paper we review the idea of dissociation, dissociative disorders and their relationship with the processes of consciousness. We will deal specifically with multiple personality disorder and posttraumatic stress disorder. Both polarize the discussion of diagnostic categories with dissociative symptoms. This review compares the initial ideas (one century old with the current scenario and emerging trends in research, which are relating cognitive processes and dissociative phenomena and disorders from a neuroscientific approach. We discuss the ideas on dissociation, hypnosis and suicide associated with these disorders. There seems to be a lack of consensus as to the nature of dissociation with theoretical, empirical and clinical implications.

  6. Numerical studies of hydrate dissociation and gas production behavior in porous media during depressurization process

    Institute of Scientific and Technical Information of China (English)

    Xuke Ruan; Mingjun Yang; Yongchen Song; Haifeng Liang; Yanghui Li

    2012-01-01

    In this study,a numerical model is developed to investigate the hydrate dissociation and gas production in porous media by depressurization.A series of simulation runs are conducted to study the impacts of permeability characteristics,including permeability reduction exponent,absolute permeability,hydrate accumulation habits and hydrate saturation,sand average grain size and irreducible water saturation.The effects of the distribution of hydrate in porous media are examined by adapting conceptual models of hydrate accumulation habits into simulations to govern the evolution of permeability with hydrate decomposition,which is also compared with the conventional reservoir permeability model,i.e.Corey model.The simulations show that the hydrate dissociation rate increases with the decrease of permeability reduction exponent,hydrate saturation and the sand average grain size.Compared with the conceptual models of hydrate accumulation habits,our simulations indicate that Corey model overpredicts the gas production and the performance of hydrate coating models is superior to that of hydrate filling models in gas production,which behavior does follow by the order of capillary coating>pore coating>pore filling>capillary filling.From the analysis of t1/2,some interesting results are suggested as follows:(1) there is a "switch" value (the "switch" absolute permeability) for laboratory-scale hydrate dissociation in porous media,the absolute permeability has almost no influence on the gas production behavior when the permeability exceeds the "switch" value.In this study,the "switch" value of absolute permeability can be estimated to be between 10 and 50 md.(2) An optimum value of initial effective water saturation Sw,e exists where hydrate dissociation rate reaches the maximum and the optimum value largely coincides with the value of irreducible water saturation Swr,e.For the case of Sw,e<Swr,e,or Sw,e>Swr,e,there are different control mechanisms dominating the

  7. In Vivo Boron Uptake Determination for Boron Neutron Capture Synovectomy

    Energy Technology Data Exchange (ETDEWEB)

    Binello, Emanuela; Shortkroff, Sonya; Yanch, Jacquelyn C.

    1999-06-06

    Boron neutron capture synovectomy (BNCS) has been proposed as a new application of the boron neutron capture reaction for the treatment of rheumatoid arthritis. In BNCS, a boron compound is injected into the joint space, where it is taken up by the synovium. The joint is then irradiated with neutrons of a desired energy range, inducing the boron neutron capture reaction in boron-loaded cells. Boron uptake by the synovium is an important parameter in the assessment of the potential of BNCS and in the determination of whether to proceed to animal irradiations for the testing of therapeutic efficacy. We present results from an investigation of boron uptake in vivo by the synovium.

  8. Capture of Public Servant. Requirements and Substantial habeas corpus

    Directory of Open Access Journals (Sweden)

    Carlos Arturo Gómez Pavajeau

    2015-06-01

    Full Text Available The capture of the public servant in a criminal investigation is subject to special rules and different to those for the capture of individuals, since the imprisonment of an official can affect continuity, speed and efficiency of the civil service, an equally important constitutional value. Therefore, as a rule capturing the public servant must be preceded by a request for suspensión by the prosecution, and to proceed without suspension, the prosecutor in his providence should motivate the reasons and arguments why not affects the normal functioning of public administration. The lack of motivation for this essential aspect, affords a fact that becomes appropriate procedural habeas corpus as an effective mechanism guarantees of personal freedom. Similarly appropriate habeas corpus when catching public server ordered by a prosecutor without functional competence to advance research, by setting a path made by organic defect.

  9. Detecting energy dependent neutron capture distributions in a liquid scintillator

    Energy Technology Data Exchange (ETDEWEB)

    Balmer, Matthew J.I., E-mail: m.balmer@lancaster.ac.uk [Department of Engineering, Lancaster University, LA1 4YR (United Kingdom); Gamage, Kelum A.A. [Department of Engineering, Lancaster University, LA1 4YR (United Kingdom); Taylor, Graeme C. [Neutron Metrology Group, National Physical Laboratory, Teddington, TW11 0LW (United Kingdom)

    2015-03-11

    A novel technique is being developed to estimate the effective dose of a neutron field based on the distribution of neutron captures in a scintillator. Using Monte Carlo techniques, a number of monoenergetic neutron source energies and locations were modelled and their neutron capture response was recorded. Using back propagation Artificial Neural Networks (ANN) the energy and incident direction of the neutron field was predicted from the distribution of neutron captures within a {sup 6}Li-loaded liquid scintillator. Using this proposed technique, the effective dose of {sup 252}Cf, {sup 241}AmBe and {sup 241}AmLi neutron fields was estimated to within 30% for four perpendicular angles in the horizontal plane. Initial theoretical investigations show that this technique holds some promise for real-time estimation of the effective dose of a neutron field.

  10. A bottleneck model of set-specific capture.

    Science.gov (United States)

    Moore, Katherine Sledge; Weissman, Daniel H

    2014-01-01

    Set-specific contingent attentional capture is a particularly strong form of capture that occurs when multiple attentional sets guide visual search (e.g., "search for green letters" and "search for orange letters"). In this type of capture, a potential target that matches one attentional set (e.g. a green stimulus) impairs the ability to identify a temporally proximal target that matches another attentional set (e.g. an orange stimulus). In the present study, we investigated whether set-specific capture stems from a bottleneck in working memory or from a depletion of limited resources that are distributed across multiple attentional sets. In each trial, participants searched a rapid serial visual presentation (RSVP) stream for up to three target letters (T1-T3) that could appear in any of three target colors (orange, green, or lavender). The most revealing findings came from trials in which T1 and T2 matched different attentional sets and were both identified. In these trials, T3 accuracy was lower when it did not match T1's set than when it did match, but only when participants failed to identify T2. These findings support a bottleneck model of set-specific capture in which a limited-capacity mechanism in working memory enhances only one attentional set at a time, rather than a resource model in which processing capacity is simultaneously distributed across multiple attentional sets.

  11. Temporary Capture of Asteroids by an Eccentric Planet

    Science.gov (United States)

    Higuchi, A.; Ida, S.

    2017-04-01

    We have investigated the probability of temporary capture of asteroids in eccentric orbits by a planet in a circular or eccentric orbit through analytical and numerical calculations. We found that, in the limit of the circular orbit, the capture probability is ∼0.1% of encounters to the planet’s Hill sphere, independent of planetary mass and semimajor axis. In general, temporary capture becomes more difficult as the planet’s eccentricity ({e}{{p}}) increases. We found that the capture probability is almost independent of {e}{{p}} until a critical value ({e}{{p}}{{c}}) that is given by ≃5 times the Hill radius scaled by the planet’s semimajor axis. For {e}{{p}}> {e}{{p}}{{c}}, the probability decreases approximately in proportion to {e}{{p}}-1. The current orbital eccentricity of Mars is several times larger than {e}{{p}}{{c}}. However, since the range of secular change in Martian eccentricity overlaps {e}{{p}}{{c}}, the capture of minor bodies by Mars in the past is not ruled out.

  12. Phase equilibrium and dissociation enthalpy for semi-clathrate hydrate of CO2+TBAB

    OpenAIRE

    2008-01-01

    The present work investigates equilibrium conditions and dissociation enthalpy of hydrates formed from CO2-TBAB(tetra-n-butylammonium bromide)-water mixtures. Differential Thermal Analysis (DTA) was used for Hydrate-Liquid-Vapour (H-L-V) equilibrium condition determination in a TBAB concentration range from 4.43 to 9.01 wt% and in a CO2 pressure range from 0.3 to 2.5 MPa. The results showed that the presence of TBAB allowed decreasing the formation pressure of CO2 hydrate by approximately ...

  13. Strong-field dissociation of CS2+ via a pump/dump-like mechanism

    Science.gov (United States)

    Severt, T.; Zohrabi, M.; Betsch, K. J.; Ablikim, U.; Jochim, Bethany; Carnes, K. D.; Zeng, S.; Esry, B. D.; Ben-Itzhak, I.; Uhlíková, T.

    2014-05-01

    Laser-induced dissociation of the quasi-bound electronic ground state of CS2+ is investigated in intense laser pulses (stretching at an energy above the potential barrier, the emission of a second photon is stimulated by the same laser pulse, most likely at the Condon point. Supported by the Chemical Sciences, Geosciences, and Biosciences Division, Office of Basic Energy Sciences, Office of Science, U.S. Department of Energy, Grants DE-FG02-86ER13491 and DE-FG02-09ER16115. TU supported by GACR and MetaCentrum.

  14. Homolytic Bond Dissociation Enthalpies of C C and C-H Bonds in Highly Crowded Alkanes

    Institute of Scientific and Technical Information of China (English)

    ZHU Chen; RUI Lei; FU Yao

    2008-01-01

    The homolytic C-C and C--H bond dissociation enthalpyies (BDE) of highly crowded alkanes were calcu- lated by using an ONIOM-G3B3 method. Geometric parameters such as bond length, bond angle and molecular volume were carefully investigated, as most of the acyclic alkanes in this study were not yet synthesized. These pa-rameters reflect the influence of steric effect on BDE. Good correlations were found between the rapid decrease of BDE and the increase of molecular volumes. The correlations can be applied to the prediction of the possible exis-tence of many highly strained compounds.

  15. Dissociation of past and present experience in problem solving using a virtual environment.

    Science.gov (United States)

    Sturz, Bradley R; Bodily, Kent D; Katz, Jeffrey S

    2009-02-01

    An interactive 3D desktop virtual environment task was created to investigate learning mechanisms in human problem solving. Participants were assessed for previous video game experience, divided into two groups (Training and Control), and matched for gender and experience. The Training group learned specific skills within the virtual environment before being presented a problem. The Control group was presented the problem only. Completion time was faster for the Training group and was affected by level of previous video game experience. Results indicated problem solving was a function of specific and general experience and demonstrated a method for dissociating these two facets of experience.

  16. Would Dissociative Recombination of DNA+ be a Possible Pathway of DNA Damage?

    Science.gov (United States)

    Kwon, H. C.; Chen, Z. P.; Strom, R. A.; Andrianarijaona, V. M.

    2015-05-01

    It is known that dissociative recombination (DR) is one of the very efficient processes of destruction of molecular cations into neutral particles. During the past few years, the focus of DR has been expanded from small inorganic molecules to macromolecular cation. We are probing the possibility of the DR of DNA+ after ionization of DNA, for example due to ionizing radiation. Therefore we are investigating the existence of autoionization states within nucleotide bases (Guanine, Adenine, Cytosine, and Thymine). Our results from computational analysis using the modern electronic structure program ORCA will be presented. Authors wish to give special thanks to Pacific Union College Student Senate for their financial support.

  17. Insights into the effect of coverage on CO adsorption and dissociation over Rh(1 0 0) surface: A theoretical study

    Science.gov (United States)

    Zhao, Xiaojun; Zhang, Riguang; Ling, Lixia; Wang, Baojun

    2014-11-01

    The adsorption, dissociation and desorption of CO at different coverage over Rh(1 0 0) surface have been systematically investigated using density functional theory method together with the periodic slab model. Our results show that at the coverage less than or equal to 4/12 ML, CO favored the most stable bridge site adsorption, and the adsorption energies of CO have little difference; while at the coverage greater than or equal to 5/12 ML, the lateral repulsive interaction begins to affect the adsorption structures and the corresponding adsorption energies of adsorbed CO molecules, and the interaction will be stronger with the increasing of CO coverage, which leads to CO migration over Rh(1 0 0) surface when CO coverage is greater than or equal to 10/12 ML. The adsorption energies of these CO molecules will decrease successively until the saturated adsorption with the CO coverage of 12/12 ML. Further calculations on CO dissociation indicate that when CO coverage is greater than or equal to 3/12 ML, the dissociation of adsorbed CO molecules will be unfavorable both kinetically and thermodynamically, suggesting that only molecule CO adsorption are favored. Considering the catalytic activity of Rh(1 0 0) surface toward CO dissociation and the higher CO coverage under the continuous supply of CO in syngas conversion, it is to be expected that only molecule CO adsorption exist on Rh catalyst.

  18. A first-principles study on the effect of phosphorus-doped palladium catalyst for formic acid dissociation

    Science.gov (United States)

    He, Feng; Li, Kai; Yin, Cong; Wang, Ying; Jiao, Menggai; Tang, Hao; Wu, Zhijian

    2016-11-01

    The effect of phosphorus-doped Pd(111) catalyst for the formic acid (HCOOH) dissociation has been investigated by using the density functional theory. The adsorption configurations and active sites of the intermediates involved in the HCOOH dissociation on the Pd/P(111) surface are studied. Our results showed that the doping of P on Pd catalyst could strengthen the adsorption of the intermediates. The Pd/P(111) catalyst exhibits higher catalytic activity by the easy formation of CO2 and H2 compared with the Pd(111) catalyst. The dominant HCOOH dissociation product on Pd/P(111) surface is CO2 rather than CO. Based on the computational hydrogen electrode (CHE) model, we found that CO formation is unfavorable on Pd/P(111) under the anode potential condition compared with the Pd(111) catalyst. Furthermore, the microkinetic analysis based on the DFT calculations showed that at high temperatures, the HCOOH dissociation is disfavored on the Pd/P(111) surface.

  19. On the properties of{110} dissociated superdislocation in B2 structure YAg and YCu: Core structure and Peierls stress

    Institute of Scientific and Technical Information of China (English)

    Xiao-zhi WU; Shao-feng WANG

    2009-01-01

    The simplified one-dimensional dislocation equation for mixed dislocations is derived briefly from the two-dimensional modified Peierls-Nabarro equation taking into account the discreteness effect of crystals. The collinear dissociated core structure of {110} superdislocations in the novel B2 structure YAg and YCu are investigated with the simplified equation Both the core width and the dissociated width are increasing with the increases in the dislocation angle of super-dislocations. The dissociated width determined by con-tinuum elastic theory is inaccurate for the high antiphase boundary energy but is recovered for the low antiphase boundary energy.The Peierls stress of the dissociated dislocation is replaced by that of superpartials The results SNOW tilat both the unstable stacking fault energy and the core width are crucial for the Peierls stress in the case of a narrow core stucture. However,the core width becomes the main factor in controlling the Peierls stress in the case of a wide core.

  20. Structural Characterization of Native Proteins and Protein Complexes by Electron Ionization Dissociation-Mass Spectrometry.

    Science.gov (United States)

    Li, Huilin; Sheng, Yuewei; McGee, William; Cammarata, Michael; Holden, Dustin; Loo, Joseph A

    2017-03-07

    Mass spectrometry (MS) has played an increasingly important role in the identification and structural and functional characterization of proteins. In particular, the use of tandem mass spectrometry has afforded one of the most versatile methods to acquire structural information for proteins and protein complexes. The unique nature of electron capture dissociation (ECD) for cleaving protein backbone bonds while preserving noncovalent interactions has made it especially suitable for the study of native protein structures. However, the intra- and intermolecular interactions stabilized by hydrogen bonds and salt bridges can hinder the separation of fragments even with preactivation, which has become particularly problematic for the study of large macromolecular proteins and protein complexes. Here, we describe the capabilities of another activation method, 30 eV electron ionization dissociation (EID), for the top-down MS characterization of native protein-ligand and protein-protein complexes. Rich structural information that cannot be delivered by ECD can be generated by EID. EID allowed for the comparison of the gas-phase and the solution-phase structural stability and unfolding process of human carbonic anhydrase I (HCA-I). In addition, the EID fragmentation patterns reflect the structural similarities and differences among apo-, Zn-, and Cu,Zn-superoxide dismutase (SOD1) dimers. In particular, the structural changes due to Cu-binding and a point mutation (G41D) were revealed by EID-MS. The performance of EID was also compared to that of 193 nm ultraviolet photodissociation (UVPD), which allowed us to explore their qualitative similarities and differences as potential valuable tools for the MS study of native proteins and protein complexes.

  1. Capture, transport and husbandry of Naucrates ductor

    Directory of Open Access Journals (Sweden)

    Francisco De Vaissier Ferro Mauricio

    2014-06-01

    Full Text Available This is a report on the capture, transport, and husbandry of Naucrates ductor, also known as pilot fish. Approximately 100 individuals were collected by Flying Sharks in the sequence of an order from multiple public aquaria. Because there is vely limited knowledge about the capture, husbandry and transport of this species, it became necessary to investigate how to achieve this while causing minimum mortality and ensuring animal welfare. Collection was done in the Azores Islands, approximately 20 nautical miles from Horta, using a standard fishing rod and hook, after attracting blue sharks with bait. The animals were transported to shore inside plastic vats and introduced to large 2,0 m wide holding tanks at the Porto Pim Aquarium, where they were held for 2 months. Multiple treatments for wounds, and parasite control, were used and are reported. Transport to mainland Portugal was done aboard a commercial vessel, inside 2,4 m wide polyethylene vats with mechanical and chemical filtration consisting of cartridge filters and protein skimmers, respectively. Once docked on shore the 40 ft. container was then moved to a truck, where it traveled to Spain and France over 6 days. The total transport time of those animals delivered last was therefore 11 days and no mortalities were sustained in transit. The remaining animals were kept in Peniche for 2 more months inside 2,4 m wide polyethylene vats, with filtration consisting of cartridge and protein skimmers, as well as daily water changes. Multiple challenges faced during the collection, holding and transport processes are presented in this presentation.

  2. Dissociation, Paranormal Belief, and Quality of Life in Older People

    Directory of Open Access Journals (Sweden)

    Tungshan Chou

    2015-12-01

    Full Text Available The measurement of religiosity in current health-related literature is mostly based on the traditional Christian belief system. It has been argued that such a measurement approach may misrepresent the true degree of religiosity in Taiwanese people. In this study, religiosity was measured in two ways: self-reported religion type and a qualitatively derived index of religious piety based on principles as suggested by Gries, Su, and Schak to be used in the Taiwanese context. Their effects on dissociation, paranormal belief, and quality of life were juxtaposed for comparison. In addition, the beneficial effect of religious piety was examined in the framework of McClenon’s ritual healing theory. A total of 266 healthy older adults across Taiwan were interviewed by four trained assistants over a 4-month period. Factor scores were used to represent the dissociative tendencies (depersonalization/derealization, forgetfulness, amnesia, and psychological absorption and paranormal belief facets (precognition, psi power, other forms of life, traditional religious belief, superstition, and telepathy. The results showed that older people of high religious piety display better quality of life profiles than their counterparts in the low religious piety group. The effects of self-reported religion type were mainly seen with paranormal beliefs compatible with their religious beliefs, whereas the effects of religious piety were more pronounced in relation to quality of life than dissociation and paranormal belief. The beneficial advantage of dissociation hypothesized by ritual healing theory did not receive empirical support in the nonclinical sample of this study.

  3. Perception, action, and Roelofs effect: a mere illusion of dissociation.

    Directory of Open Access Journals (Sweden)

    Paul Dassonville

    2004-11-01

    Full Text Available A prominent and influential hypothesis of vision suggests the existence of two separate visual systems within the brain, one creating our perception of the world and another guiding our actions within it. The induced Roelofs effect has been described as providing strong evidence for this perception/action dissociation: When a small visual target is surrounded by a large frame positioned so that the frame's center is offset from the observer's midline, the perceived location of the target is shifted in the direction opposite the frame's offset. In spite of this perceptual mislocalization, however, the observer can accurately guide movements to the target location. Thus, perception is prone to the illusion while actions seem immune. Here we demonstrate that the Roelofs illusion is caused by a frame-induced transient distortion of the observer's apparent midline. We further demonstrate that actions guided to targets within this same distorted egocentric reference frame are fully expected to be accurate, since the errors of target localization will exactly cancel the errors of motor guidance. These findings provide a mechanistic explanation for the various perceptual and motor effects of the induced Roelofs illusion without requiring the existence of separate neural systems for perception and action. Given this, the behavioral dissociation that accompanies the Roelofs effect cannot be considered evidence of a dissociation of perception and action. This indicates a general need to re-evaluate the broad class of evidence purported to support this hypothesized dissociation.

  4. Dissociation of the Ethyl Radical: An Exercise in Computational Chemistry

    Science.gov (United States)

    Nassabeh, Nahal; Tran, Mark; Fleming, Patrick E.

    2014-01-01

    A set of exercises for use in a typical physical chemistry laboratory course are described, modeling the unimolecular dissociation of the ethyl radical to form ethylene and atomic hydrogen. Students analyze the computational results both qualitatively and quantitatively. Qualitative structural changes are compared to approximate predicted values…

  5. Dissociation and Mass Transfer Coefficients for Ammonia Volatilization Models

    Science.gov (United States)

    Process-based models are being used to predict ammonia emissions from manure sources, but their accuracy has not been fully evaluated for cattle manure. Laboratory trials were conducted to measure the dissociation and mass transfer coefficients for ammonia volatilization from media of buffered ammon...

  6. Peptide fragmentation by keV ion-induced dissociation

    NARCIS (Netherlands)

    Bari, S.; Hoekstra, R.A.; Schlathölter, T.A.

    2010-01-01

    We have studied multiple ionization and dissociation of a trapped protonated peptide (leucine enkephalin) as induced by keV singly and doubly charged ions (H(+), He(+,) (2+)) to demonstrate the potential of keV ions as a future tool for peptide identification. In contrast to conventional excitation

  7. Assessing the Dissociability of Recollection and Familiarity in Recognition Memory

    Science.gov (United States)

    Pratte, Michael S.; Rouder, Jeffrey N.

    2012-01-01

    Recognition memory is often modeled as constituting 2 separate processes, recollection and familiarity, rather than as constituting a single process mediated by a generic latent strength. One way of stating evidence for the more complex 2-process model is to show dissociations with select manipulations, in which one manipulation affects…

  8. A double dissociation between somatosensory processing for perception and action

    NARCIS (Netherlands)

    Anema, Helen A.; van Zandvoort, Martine J. E.; de Haan, Edward H. F.; Kappelle, L. Jaap; de Kort, Paul. L. M.; Jansen, Ben P. W.; Dijkerman, H. Chris

    2009-01-01

    Human neuropsychology suggests that there are two distinct body representations. Body image and body schema are, respectively, thought to be involved in conscious perceptual judgments and unconscious sensorimotor guidance. The evidence is based on the double dissociation between disorders of percept

  9. Plasma-driven dissociation of CO2 for fuel synthesis

    NARCIS (Netherlands)

    Bongers, Waldo; Bouwmeester, Henny J.M.; Wolf, Bram; Peeters, Floran; Welzel, Stefan; Bekerom, van den Dirk; Harder, den Niek; Goede, Adelbert; Graswinckel, Martijn; Groen, Pieter Willem; Kopecki, Jochen; Leins, Martina; Rooij, van Gerard; Schulz, Andreas; Walker, Matthias; Sanden, van de Richard

    2016-01-01

    Power-to-gas is a storage technology aiming to convert surplus electricity from renewable energy sources like wind and solar power into gaseous fuels compatible with the current network infrastructure. Results of CO2 dissociation in a vortexstabilized microwave plasma reactor are presented. The micr

  10. Nucleon-x sub c sub J dissociation cross sections

    CERN Document Server

    Feng You Ceng; Xu Xiao Ming

    2002-01-01

    Nucleon-x sub c sub J dissociation cross sections are calculated in a constituent inter-exchange model in which quark-quark potential is derived from the Buchmueller-Type 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

  11. Simulations of dissociation constants in low pressure supercritical water

    Science.gov (United States)

    Halstead, S. J.; An, P.; Zhang, S.

    2014-09-01

    This article reports molecular dynamics simulations of the dissociation of hydrochloric acid and sodium hydroxide in water from ambient to supercritical temperatures at a fixed pressure of 250 atm. Corrosion of reaction vessels is known to be a serious problem of supercritical water, and acid/base dissociation can be a significant contributing factor to this. The SPC/e model was used in conjunction with solute models determined from density functional calculations and OPLSAA Lennard-Jones parameters. Radial distribution functions were calculated, and these show a significant increase in solute-solvent ordering upon forming the product ions at all temperatures. For both dissociations, rapidly decreasing entropy of reaction was found to be the controlling thermodynamic factor, and this is thought to arise due to the ions produced from dissociation maintaining a relatively high density and ordered solvation shell compared to the reactants. The change in entropy of reaction reaches a minimum at the critical temperature. The values of pKa and pKb were calculated and both increased with temperature, in qualitative agreement with other work, until a maximum value at 748 K, after which there was a slight decrease.

  12. Carrier-Envelope-Phase Dependent Dissociation of Hydrogen

    CERN Document Server

    Xu, Han; Laban, D E; Wallace, W C; Kielpinski, D; Sang, R T; Litvinyuk, I V

    2012-01-01

    We studied dependence of dissociative ionization in H2 on carrier-envelope phase (CEP) of few-cycle (6fs) near-infrared (NIR) laser pulses. For low-energy channels, we present the first experimental observation of CEP dependence for total dissociation yield and the highest dwgree of asymmetry reported to date (40%). The observed modulations in both asymmetry and total yield could be understood in terms of interference between different n-photon dissociation pathways - n and (n+1) photon channels for asymmetry, n and (n+2) photon channels for yield - as suggested by the general theory of CEP effects (Roudnev and Esry, Phys. Rev. Lett. 99, 220406 (2007), [1]). The yield modulation is found to be Pi-periodic in CEP, with its phase strongly dependent on fragment kinetic energy (and reversing its sign within the studied energy range), indicating that the dissociation does not simply follow the CEP dependence of maximum electric field, as a naive intuition might suggest. We also find that a positively chirped pulse...

  13. The kinetics of bivalent metal ion dissociation from myosin subfragments.

    Science.gov (United States)

    Bennett, A J; Bagshaw, C R

    1986-01-01

    Bivalent metal ions have multiple roles in subunit association and ATPase regulation in scallop adductor-muscle myosin. To help elucidate these functions, the rates of Ca2+ and Mg2+ dissociation from the non-specific high-affinity sites on the regulatory light chains were measured and compared with those of rabbit skeletal-muscle myosin subfragments. Ca2+ dissociation had a rate constant of about 0.7 s-1 in both species, as measured by the time course of the pH change on EDTA addition. Mg2+ dissociation had a rate constant of 0.05 s-1, as monitored by its displacement with the paramagnetic Mn2+ ion. It is concluded that the exchange between Ca2+ and Mg2+ at the non-specific site, on excitation of both skeletal and adductor muscles, is too slow to contribute to the activation itself. The release of bivalent metal ions from the non-specific site is, however, the first step in release of the scallop regulatory light chain (Bennett & Bagshaw (1986) Biochem. J. 233, 179-186). In scallop myosin additional specific sites are present, which can bind Ca2+ rapidly, to effect activation of the ATPase. In the course of this work, Ca2+ dissociation from EGTA was studied as a model system. This gave rates of 1 s-1 and 0.3 s-1 at pH 7.0 and pH 8.0 respectively.

  14. Dissociation path for H2 on Al(110)

    DEFF Research Database (Denmark)

    Hammer, Bjørk; Jacobsen, Karsten Wedel; Nørskov, Jens Kehlet

    1992-01-01

    The minimum energy path is calculated for an H2 molecule dissociating on an Al(110) surface within local density functional theory. The properties of the potential energy surface along the five H2 ionic coordinates perpendicular to the reaction path are also determined and shown to be essential...

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

    CERN Document Server

    Heine, M; 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; del Rio, J Sanchez; 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; Van de Walle, J; 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 $^{18}$C. Those data have been used to constrain theoretical calculations for transitions populating excited states in $^{18}$C. This allowed to derive the astrophysical cross section $\\sigma^{*}_{\\mathrm{n}\\gamma}$ accounting for the thermal population of $^{17}$C target states in astrophysical scenarios. The experimentally verified capture rate is significantly lower than those of previously obtained Hauser-Feshbach estimations at temperatures $T_{9}\\leq{}1$~GK. Network simulations with updated neutron-capture rates and hydrodynamics according to the neutrino-driven wind model as well as the neutron-star merger scenario reveal no pronounced influence of neutron capture of $^{17}$C on the production of second- and thi...

  16. A Monoclonal Antibody Based Capture ELISA for Botulinum Neurotoxin Serotype B: Toxin Detection in Food

    Directory of Open Access Journals (Sweden)

    Larry H. Stanker

    2013-11-01

    Full Text Available Botulism is a serious foodborne neuroparalytic disease, caused by botulinum neurotoxin (BoNT, produced by the anaerobic bacterium Clostridium botulinum. Seven toxin serotypes (A–H have been described. The majority of human cases of botulism are caused by serotypes A and B followed by E and F. We report here a group of serotype B specific monoclonal antibodies (mAbs capable of binding toxin under physiological conditions. Thus, they serve as capture antibodies for a sandwich (capture ELISA. The antibodies were generated using recombinant peptide fragments corresponding to the receptor-binding domain of the toxin heavy chain as immunogen. Their binding properties suggest that they bind a complex epitope with dissociation constants (KD’s for individual antibodies ranging from 10 to 48 × 10−11 M. Assay performance for all possible combinations of capture-detector antibody pairs was evaluated and the antibody pair resulting in the lowest level of detection (L.O.D., ~20 pg/mL was determined. Toxin was detected in spiked dairy samples with good recoveries at concentrations as low as 0.5 pg/mL and in ground beef samples at levels as low as 2 ng/g. Thus, the sandwich ELISA described here uses mAb for both the capture and detector antibodies (binding different epitopes on the toxin molecule and readily detects toxin in those food samples tested.

  17. 0℃以下含SDS的甲烷水合物生成方式及过程对其分解速率的影响%The Dependence of the Dissociation Rate of Methane-SDS Hydrate below Ice Point on Its Manners of Forming and Processing

    Institute of Scientific and Technical Information of China (English)

    王秀林; 陈卫东; 陈光进; 孙长宇; 杨兰英; 马庆兰; 陈俊; 刘鹏; 唐绪龙; 赵焕伟

    2009-01-01

    The dissociation rates of methane hydrates formed with and without the presence of sodium dodecyl sulfate (methane-SDS hydrates), were measured under atmospheric pressure and temperatures below ice point to investigate the influence of the hydrate production conditions and manners upon its dissociation kinetic behavior. The experimental results demonstrated that the dissociation rate of methane hydrate below ice point is strongly dependent on the manners of hydrate formation and processing. The dissociation rate of hydrate formed quiescently was lower than that of hydrate formed with stirring; the dissociation rate of hydrate formed at lower pressure was higher than that of hydrate formed at higher pressure; the compaction of hydrate after its formation lowered its sta-bility, i.e., increased its dissociation rate. The stability of hydrate could be increased by prolonging the time period for which hydrate was held at formation temperature and pressure before it was cooled down, or by prolonging the time period for which hydrate was held at dissociation temperature and formation pressure before it was depressurized to atmospheric pressure. It was found that the dissociation rate of methane hydrate varied with the temperature (ranging from 245.2 to 272.2 K) anomalously as reported on the dissociation of methane hydrate without the presence of surfactant as kinetic promoter. The dissociation rate at 268 K was found to be the lowest when the manners and conditions at which hydrates were formed and processed were fixed.

  18. Photofragment translational spectroscopy of three body dissociations and free radicals

    Energy Technology Data Exchange (ETDEWEB)

    North, Simon William [Univ. of California, Berkeley, CA (United States)

    1995-04-01

    This dissertation describes several three-body dissociations and the photodissociation of methyl radicals studied using photofragment translational spectroscopy. The first chapter provides an introduction to three body dissociation, examines current experimental methodology, and includes a discussion on the treatment of photofragment translational spectroscopy data arising from three-body fragmentation. The ultraviolet photodissociation of azomethane into two methyl radicals and nitrogen is discussed in chapter 2. Chapter 3 describes the photodissociation of acetone at 248 nm and 193 nm. At 248 nm the translational energy release from the initial C-C bond cleavage matches the exit barrier height and a comparison with results at 266 nm suggests that T> is invariant to the available energy. A fraction of the nascent CH3CO radicals spontaneously dissociate following rotational averaging. The T> for the second C-C bond cleavage also matches the exit barrier height. At 193 nm the experimental data can be successfully fit assuming that the dynamics are analogous to those at 248 nm. A simplified model of energy partitioning which adequately describes the experimental results is discussed. Experiments on acetyl halides provide additional evidence to support the proposed acetone dissociation mechanism. A value of 17.0±1.0 kcal/mole for the barrier height, CH3CO decomposition has been determined. The photodissociation of methyl radical at 193 nm and 212.8 nm is discussed in the chapter 5. The formation of CH2(1Al) and H (2S) was the only single photon dissociation pathway observed at both wavelengths.

  19. Inter-Identity Autobiographical Amnesia in Patients with Dissociative Identity Disorder

    NARCIS (Netherlands)

    Huntjens, R.J.C.; Verschuere, B.; McNally, R.J.

    2012-01-01

    Background: A major symptom of Dissociative Identity Disorder (DID; formerly Multiple Personality Disorder) is dissociative amnesia, the inability to recall important personal information. Only two case studies have directly addressed autobiographical memory in DID. Both provided evidence suggestive

  20. Inter-identity autobiographical amnesia in patients with dissociative identity disorder

    NARCIS (Netherlands)

    Huntjens, R.J.C.; Verschuere, B.; McNally, R.J.

    2012-01-01

    Background A major symptom of Dissociative Identity Disorder (DID; formerly Multiple Personality Disorder) is dissociative amnesia, the inability to recall important personal information. Only two case studies have directly addressed autobiographical memory in DID. Both provided evidence suggestive