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Sample records for quadrupole ion storage

  1. Quadrupole ion traps.

    PubMed

    March, Raymond E

    2009-01-01

    The extraordinary story of the three-dimensional radiofrequency quadrupole ion trap, accompanied by a seemingly unintelligible theoretical treatment, is told in some detail because of the quite considerable degree of commercial success that quadrupole technology has achieved. The quadrupole ion trap, often used in conjunction with a quadrupole mass filter, remained a laboratory curiosity until 1979 when, at the American Society for Mass Spectrometry Conference in Seattle, George Stafford, Jr., of Finnigan Corp., learned of the Masters' study of Allison Armitage of a combined quadrupole ion trap/quadrupole mass filter instrument for the observation of electron impact and chemical ionization mass spectra of simple compounds eluting from a gas chromatograph. Stafford developed subsequently the mass-selective axial instability method for obtaining mass spectra from the quadrupole ion trap alone and, in 1983, Finnigan Corp. announced the first commercial quadrupole ion trap instrument as a detector for a gas chromatograph. In 1987, confinement of ions generated externally to the ion trap was demonstrated and, soon after, the new technique of electrospray ionization was shown to be compatible with the ion trap.

  2. Resonance methods in quadrupole ion traps

    NASA Astrophysics Data System (ADS)

    Snyder, Dalton T.; Peng, Wen-Ping; Cooks, R. Graham

    2017-01-01

    The quadrupole ion trap is widely used in the chemical physics community for making measurements on dynamical systems, both intramolecular (e.g. ion fragmentation reactions) and intermolecular (e.g. ion/molecule reactions). In this review, we discuss linear and nonlinear resonances in quadrupole ion traps, an understanding of which is critical for operation of these devices and interpretation of the data which they provide. The effect of quadrupole field nonlinearity is addressed, with important implications for promoting fragmentation and achieving unique methods of mass scanning. Methods that depend on ion resonances (i.e. matching an external perturbation with an ion's induced frequency of motion) are discussed, including ion isolation, ion activation, and ion ejection.

  3. Optimization of quadrupole ion storage mass spectrometric conditions for the analysis of selected polybrominated diphenyl ethers. Comparative approach with negative chemical ionization and electron impact mass spectrometry.

    PubMed

    Larrazábal, David; Angeles Martínez, Ma; Eljarrat, Ethel; Barceló, Damiá; Fabrellas, Begoña

    2004-10-01

    Gas chromatography coupled to quadrupole ion storage mass spectrometry (QISTMS) operating in the non-resonant mode is presented as an innovative approach for the analysis of selected polybrominated diphenyl ethers (PBDEs). Although reductions in complexity and time needed for optimization are achieved in comparison with the resonant option, precise adjustment of the mass spectrometric conditions is required. Differences in isolation and fragmentation patterns of target species with degree of bromination were observed. The reliability of the method was confirmed by using standard solutions through the evaluation of certain quality parameters such as accuracy (92-108%), injection repeatability and reproducibility (coefficient of variation below 10% and 15%, respectively). Detection limits ranged from 62 to 621 fg, providing sensitivity similar to that of negative chemical ionisation (NCIMS) and greater than that of electron ionization mass spectrometry. The applicability of QISTMS method to real samples and matrix effects were evaluated through the analysis of some PBDE congeners in a sewage sludge sample from a Spanish waste-water treatment plant. Comparable results were obtained using QISTMS and NCIMS. According to these observations, QISTMS performed in the non-resonant mode may constitute a low-cost, rapid and reliable alternative to high-resolution devices for the analysis of selected PBDEs in environmental samples.

  4. Noise reduction in negative-ion quadrupole mass spectrometry

    DOEpatents

    Chastagner, Philippe

    1993-01-01

    A quadrupole mass spectrometer (QMS) system having an ion source, quadrupole mass filter, and ion collector/recorder system. A weak, transverse magnetic field and an electron collector are disposed between the quadrupole and ion collector. When operated in negative ion mode, the ion source produces a beam of primarily negatively-charged particles from a sample, including electrons as well as ions. The beam passes through the quadrupole and enters the magnetic field, where the electrons are deflected away from the beam path to the electron collector. The negative ions pass undeflected to the ion collector where they are detected and recorded as a mass spectrum.

  5. Noise reduction in negative-ion quadrupole mass spectrometry

    DOEpatents

    Chastagner, P.

    1993-04-20

    A quadrupole mass spectrometer (QMS) system is described having an ion source, quadrupole mass filter, and ion collector/recorder system. A weak, transverse magnetic field and an electron collector are disposed between the quadrupole and ion collector. When operated in negative ion mode, the ion source produces a beam of primarily negatively-charged particles from a sample, including electrons as well as ions. The beam passes through the quadrupole and enters the magnetic field, where the electrons are deflected away from the beam path to the electron collector. The negative ions pass undeflected to the ion collector where they are detected and recorded as a mass spectrum.

  6. Implementation of Ion/Ion Reactions in a Quadrupole/Time-of-Flight Tandem Mass Spectrometer

    PubMed Central

    Xia, Yu; Chrisman, Paul A.; Erickson, David E.; Liu, Jian; Liang, Xiaorong; Londry, Frank A.; Yang, Min J.; McLuckey, Scott A.

    2008-01-01

    A commercial quadrupole/time-of-flight (QqTOF) tandem mass spectrometer has been adapted for ion/ion reaction studies. To enable mutual storage of oppositely charged ions in a linear ion trap, the oscillating quadrupole field of the second quadrupole of the system (Q2) serves to store ions in the radial dimension while auxiliary RF is superposed on the end lenses of Q2 during the reaction period to create barriers in the axial dimension. A pulsed dual electrospray (ESI) source is directly coupled to the instrument interface for the purpose of proton transfer reactions. Singly and doubly charged protein ions as high in mass as 66 kDa are readily formed and observed after proton transfer reactions. For the modified instrument, the mass resolving power is about 8000 for a wide m/z range and the mass accuracy is ~20 ppm for external calibration and ~5 ppm for internal calibration after ion/ion reactions. Parallel ion parking is demonstrated with a six-component protein mixture, which shows the potential application of reducing spectral complexity and concentrating certain charge states. The current system has high flexibility with respect to defining MSn experiments involving collision-induced dissociation (CID) and ion/ion reactions. Protein precursor and CID product masses can be determined with good accuracy, providing an attractive platform for top-down proteomics. Electron transfer dissociation (ETD) ion/ion reactions are implemented by using a pulsed nano-ESI/atmospheric pressure chemical ionization (APCI) dual source for ionization. The reaction between protonated peptide ions and radical anions of 1,3-dinitrobenzene formed exclusively c- and z- type fragment ions. PMID:16771545

  7. Prediction of collective characteristics for ion ensembles in quadrupole ion traps without trajectory simulations.

    PubMed

    Goeringer, Douglas E; Viehland, Larry A; Danailov, Daniel M

    2006-07-01

    Fundamental aspects are presented of a two-temperature moment theory for quadrupole ion traps developed via transformation of the Boltzmann equation. Solutions of the moment equations correspond to changes in the ensemble average for any function of ion velocity, because the Boltzmann equation reflects changes to an ion distribution as a whole. The function of primary interest in this paper is the ion effective temperature and its behavior during ion storage and resonance excitation. Calculations suggest that increases in ion effective temperature during resonance excitation are due primarily to power absorption from the main RF trapping field rather than from the dipolar excitation signal. The dipolar excitation signal apparently serves mainly to move ions into regions of the ion trap where the RF electric field, and thus ion RF heating, is greater than near the trap center. Both ideal and non-ideal ion trap configurations are accounted for in the moment equations by incorporating parameterized variables a and q , which are modified versions of the commonly used forms for the DC and AC ring voltages, and b and d , which are new forms that account for the voltages applied to the endcaps. Besides extending the applicability of the moment equations to non-ideal quadrupole ion traps, the modified versions of the parameterized variables can have additional utility. Calculation of the spatial dependence of ion secular oscillation frequencies is demonstrated as an example.

  8. The effective temperature of ions stored in a linear quadrupole ion trap mass spectrometer.

    PubMed

    Donald, William A; Khairallah, George N; O'Hair, Richard A J

    2013-06-01

    The extent of internal energy deposition into ions upon storage, radial ejection, and detection using a linear quadrupole ion trap mass spectrometer is investigated as a function of ion size (m/z 59 to 810) using seven ion-molecule thermometer reactions that have well characterized reaction entropies and enthalpies. The average effective temperatures of the reactants and products of the ion-molecule reactions, which were obtained from ion-molecule equilibrium measurements, range from 295 to 350 K and do not depend significantly on the number of trapped ions, m/z value, ion trap q z value, reaction enthalpy/entropy, or the number of vibrational degrees of freedom for the seven reactions investigated. The average of the effective temperature values obtained for all seven thermometer reactions is 318 ± 23 K, which indicates that linear quadrupole ion trap mass spectrometers can be used to study the structure(s) and reactivity of ions at near ambient temperature.

  9. Differentially pumped dual linear quadrupole ion trap mass spectrometer

    DOEpatents

    Owen, Benjamin C.; Kenttamaa, Hilkka I.

    2016-11-15

    The present disclosure provides a new tandem mass spectrometer and methods of using the same for analyzing charged particles. The differentially pumped dual linear quadrupole ion trap mass spectrometer of the present disclose includes a combination of two linear quadrupole (LQIT) mass spectrometers with differentially pumped vacuum chambers.

  10. Differentially pumped dual linear quadrupole ion trap mass spectrometer

    DOEpatents

    Owen, Benjamin C.; Kenttamaa, Hilkka I.

    2015-10-20

    The present disclosure provides a new tandem mass spectrometer and methods of using the same for analyzing charged particles. The differentially pumped dual linear quadrupole ion trap mass spectrometer of the present disclose includes a combination of two linear quadrupole (LQIT) mass spectrometers with differentially pumped vacuum chambers.

  11. Quadrupole ion storage tandem mass spectrometry and high-resolution mass spectrometry: complementary application in the measurement of 2,3,7,8-chlorine substituted dibenzo-p-dioxins and dibenzofurans in US foods.

    PubMed

    Hayward, D G; Holcomb, J; Glidden, R; Wilson, P; Harris, M; Spencer, V

    2001-01-01

    The US Food and Drug Administration has simultaneously utilized both high-resolution mass spectrometry (HRMS) and quadrupole ion storage tandem mass spectrometry (QISTMS) in the measurement of polychlorinated dibenzo-p-dioxins/dibenzofurans (PCDD/Fs) in 147 food samples collected in 1998 and 1999 in the US. In 1998, 20 egg samples, six scallop, 10 blue crab, eight American lobster, 10 pollack, 15 striped bass, five rockfish, 10 crawfish, seven aqua-cultured and 13 wild-caught salmon, along with 19 cream and 18 mozzarella cheese samples were measured for PCDD/Fs. QISTMS provided limits of detection (LODs) close to those produced using HRMS for many congeners in 56 samples analyzed by both techniques in 1998 and three salmon and three striped bass collected in 1999. The I-TEQs of the mean levels for measured congeners in 40 samples of fish and shellfish and 16 cheese and eggs from 1998 analyzed by HRMS and QISTMS were 0.99 and 1.1 ng/kg wet weight, respectively. The I-TEQ for mean congener levels in the 40 fish and shellfish measured by HRMS was 1.4 ng/kg wet weight. A higher sample throughput with greater data quality at a lower cost is achievable by using both QISTMS and HRMS.

  12. Heavy ion storage rings

    SciTech Connect

    Schuch, R.

    1987-01-01

    A brief overview of synchrotron storage rings for heavy ions, which are presently under construction in different accelerator laboratories is given. Ions ranging from protons up to uranium ions at MeV/nucleon energies will be injected into these rings using multiturn injection from the accelerators available or being built in these laboratories. After injection, it is planned to cool the phase space distribution of the ions by merging them with cold electron beams or laser beams, or by using stochastic cooling. Some atomic physics experiments planned for these rings are presented.

  13. Heavy ion plasma confinement in an RF quadrupole trap

    NASA Technical Reports Server (NTRS)

    Schermann, J.; Major, F. G.

    1971-01-01

    The confinement of an electron free plasma in a pure quadrupole RF electric trap was considered. The ultimate goal was to produce a large density of mercury ions, in order to realize a trapped ion frequency standard using the hyperfine resonance of 199 Hg(+) at 40.7 GHz. An attempt was made to obtain an iodine plasma consisting of equal numbers of positive and negative ions of atomic iodine, the positive iodine ions, being susceptible to charge-exchange with mercury atoms, will produce the desired mercury ions. The experiment showed that the photoproduction of ions pairs in iodine using the necessary UV radiation occurs with a small cross-section, making it difficult to demonstrate the feasibility of space charge neutralization in a quadrupole trap. For this reason it was considered expedient to choose thallium iodide, which has a more favorable absorption spectrum (in the region of 2000 to 2100 A). The results indicate that, although the ionic recombination is a serious limiting factor, a considerable improvement can be obtained in practice for the density of trapped ions, with a considerable advantage in lifetimes for spectroscopic purposes. The ion pair formation by photoionization is briefly reviewed.

  14. Quadrupole Ion/Neutral Mass Spectrometer for Space Shuttle Applications.

    DTIC Science & Technology

    1986-04-07

    fCon linue on reverse if neeec’O ond ientify by block number) _ A Quadrupole Ion/Neutral Mass Spectrometer (QINMS) was developed for the fourth flight...The charging of spacecraft surfaces, Rev. Geophys. and Space Phys. 19:577-616. 16. Paul , W., Rheinhard, H. P., and von Zahn, U. (1958) Das elektrische...massenfilter als massenspektrometer und isotopentrenner, Z. Ph sik 152:143-182. Paul , W., and Steinwedel, H. (1953) Z. Naturforsch 8a:448. Paul , W

  15. "Fast Excitation" CID in Quadrupole Ion Trap Mass Spectrometer

    SciTech Connect

    Murrell, J.; Despeyroux, D.; Lammert, Stephen {Steve} A; Stephenson Jr, James {Jim} L; Goeringer, Doug

    2003-01-01

    Collision-induced dissociation (CID) in a quadrupole ion trap mass spectrometer is usually performed by applying a small amplitude excitation voltage at the same secular frequency as the ion of interest. Here we disclose studies examining the use of large amplitude voltage excitations (applied for short periods of time) to cause fragmentation of the ions of interest. This process has been examined using leucine enkephalin as the model compound and the motion of the ions within the ion trap simulated using ITSIM. The resulting fragmentation information obtained is identical with that observed by conventional resonance excitation CID. ''Fast excitation'' CID deposits (as determined by the intensity ratio of the a{sub 4}/b{sub 4} ion of leucine enkephalin) approximately the same amount of internal energy into an ion as conventional resonance excitation CID where the excitation signal is applied for much longer periods of time. The major difference between the two excitation techniques is the higher rate of excitation (gain in kinetic energy) between successive collisions with helium atoms with ''fast excitation'' CID as opposed to the conventional resonance excitation CID. With conventional resonance excitation CID ions fragment while the excitation voltage is still being applied whereas for ''fast excitation'' CID a higher proportion of the ions fragment in the ion cooling time following the excitation pulse. The fragmentation of the (M + 17H){sup 17+} of horse heart myoglobin is also shown to illustrate the application of ''fast excitation'' CID to proteins.

  16. Ion storage dosimetry

    NASA Astrophysics Data System (ADS)

    Mathur, V. K.

    2001-09-01

    The availability of a reliable, accurate and cost-effective real-time personnel dosimetry system is fascinating to radiation workers. Electronic dosimeters are contemplated to meet this demand of active dosimetry. The development of direct ion storage (DIS) dosimeters, a member of the electronic dosimeter family, for personnel dosimetry is also an attempt in this direction. DIS dosimeter is a hybrid of the well-established technology of ion chambers and the latest advances in data storage using metal oxide semiconductor field effect transistor (MOSFET) analog memory device. This dosimeter is capable of monitoring legal occupational radiation doses of gamma, X-rays, beta and neutron radiation. Similar to an ion chamber, the performance of the dosimeter for a particular application can be optimized through the selection of appropriate wall materials. The use of the floating gate of a MOSFET as one of the electrodes of the ion chamber allows the miniaturization of the device to the size of a dosimetry badge and avoids the use of power supplies during dose accumulation. The concept of the device, underlying physics and the design of the DIS dosimeter are discussed. The results of preliminary testing of the device are also provided.

  17. 2-MV electrostatic quadrupole injector for heavy-ion fusion

    SciTech Connect

    Bieniosek, F.M.; Celata, C.M.; Henestroza, E.; Kwan, J.W.; Prost, L.; Seidl, P.A.

    2004-11-10

    High current and low emittance are principal requirements for heavy-ion injection into a linac driver for inertial fusion energy. An electrostatic quadrupole (ESQ) injector is capable of providing these high charge density and low emittance beams. We have modified the existing 2-MV Injector to reduce beam emittance and to double the pulse length. We characterize the beam delivered by the modified injector to the High Current Transport Experiment (HCX) and the effects of finite rise time of the extraction voltage pulse in the diode on the beam head. We demonstrate techniques for mitigating aberrations and reducing beam emittance growth in the injector.

  18. Superconducting focusing quadrupoles for heavy ion fusion experiments

    SciTech Connect

    Sabbi, G.L.; Faltens, A.; Leitner, M.; Lietzke, A.; Seidl, P.; Barnard, J.; Lund, S.; Martovetsky, N.; Gung, C.; Minervini, J.; Radovinsky, A.; Schultz, J.; Meinke, R.

    2003-05-01

    The Heavy Ion Fusion (HIF) Program is developing superconducting focusing magnets for both near-term experiments and future driver accelerators. In particular, single bore quadrupoles have been fabricated and tested for use in the High Current Experiment (HCX) at Lawrence Berkeley National Laboratory (LBNL). The next steps involve the development of magnets for the planned Integrated Beam Experiment (IBX) and the fabrication of the first prototype multi-beam focusing arrays for fusion driver accelerators. The status of the magnet R&D program is reported, including experimental requirements, design issues and test results.

  19. Correlation between y-type ions observed in ion trap and triple quadrupole mass spectrometers.

    PubMed

    Sherwood, Carly A; Eastham, Ashley; Lee, Lik Wee; Risler, Jenni; Vitek, Olga; Martin, Daniel B

    2009-09-01

    Multiple reaction monitoring mass spectrometry (MRM-MS) is a technique for high-sensitivity targeted analysis. In proteomics, MRM-MS can be used to monitor and quantify a peptide based on the production of expected fragment peaks from the selected peptide precursor ion. The choice of which fragment ions to monitor in order to achieve maximum sensitivity in MRM-MS can potentially be guided by existing MS/MS spectra. However, because the majority of discovery experiments are performed on ion trap platforms, there is concern in the field regarding the generalizability of these spectra to MRM-MS on a triple quadrupole instrument. In light of this concern, many operators perform an optimization step to determine the most intense fragments for a target peptide on a triple quadrupole mass spectrometer. We have addressed this issue by targeting, on a triple quadrupole, the top six y-ion peaks from ion trap-derived consensus library spectra for 258 doubly charged peptides from three different sample sets and quantifying the observed elution curves. This analysis revealed a strong correlation between the y-ion peak rank order and relative intensity across platforms. This suggests that y-type ions obtained from ion trap-based library spectra are well-suited for generating MRM-MS assays for triple quadrupoles and that optimization is not required for each target peptide.

  20. Correlation between y-Type Ions Observed in Ion Trap and Triple Quadrupole Mass Spectrometers

    PubMed Central

    Sherwood, Carly A.; Eastham, Ashley; Lee, Lik Wee; Risler, Jenni; Vitek, Olga; Martin, Daniel B.

    2009-01-01

    Multiple reaction monitoring mass spectrometry (MRM-MS) is a technique for high-sensitivity targeted analysis. In proteomics, MRM-MS can be used to monitor and quantify a peptide based on the production of expected fragment peaks from the selected peptide precursor ion. The choice of which fragment ions to monitor in order to achieve maximum sensitivity in MRM-MS can potentially be guided by existing MS/MS spectra. However, because the majority of discovery experiments are performed on ion trap platforms, there is concern in the field regarding the generalizability of these spectra to MRM-MS on a triple quadrupole instrument. In light of this concern, many operators perform an optimization step to determine the most intense fragments for a target peptide on a triple quadrupole mass spectrometer. We have addressed this issue by targeting, on a triple quadrupole, the top six y-ion peaks from ion trap-derived consensus library spectra for 258 doubly charged peptides from three different sample sets and quantifying the observed elution curves. This analysis revealed a strong correlation between the y-ion peak rank order and relative intensity across platforms. This suggests that y-type ions obtained from ion trap-based library spectra are well-suited for generating MRM-MS assays for triple quadrupoles and that optimization is not required for each target peptide. PMID:19603825

  1. Ion-number-density-dependent effects on hyperfine transition of trapped 199Hg+ ions in quadrupole linear ion traps

    NASA Astrophysics Data System (ADS)

    Yang, Zhihui; Chen, Yihe; Yan, Bibo; Wang, Man; Wan, Yongquan; Liu, Hao; She, Lei; Li, Jiaomei

    2017-04-01

    The ion-number-density-dependent frequency offsets and broadening of the ground state hyperfine transition spectra of trapped 199Hg+ ions were measured as a function of the end-cap voltage of the quadrupole linear ion trap. The number density of trapped 199Hg+ ions in the quadrupole linear trap was controlled by the end-cap voltage. The fractional frequency stability of 199Hg+ hyperfine transition to the 1 mV end-cap voltage variation was preliminary estimated to be less than 1 ×10-16. The causes of the ion-number-density-dependent frequency shift and spectrum broadening were analyzed theoretically and explained.

  2. Investigation of a quadrupole ultra-high vacuum ion pump

    NASA Technical Reports Server (NTRS)

    Schwarz, H. J.

    1974-01-01

    The new nonmagnetic ion pump resembles the quadrupole ionization gage. The dimensions are larger, and hyperbolically shaped electrodes replace the four rods. Their surfaces follow y sq. = 36 + x sq. (x, y in centimeters). The electrodes, 55 cm long, are positioned lengthwise in a tube. At one end a cathode emits electrons; at the other end a narrowly wound flat spiral of tungsten clad with titanium on cathode potential can be heated for titanium evaporation. Electrons accelerated by a dc potential of the surface electrodes oscillate between the ends on rotational trajectories, if a high frequency potential superimposed on the dc potential is properly adjusted. Pumping speeds (4-100 liter/sec) for different gases at different peak voltages (1000-3000V) at corresponding frequencies (57-100 MHz), and at different pressures 0.00001 to the minus 9 power Torr were observed. The lowest pressure reached was below 10 to the minus 10 power Torr.

  3. Investigation of Lithium Ion Storage

    NASA Technical Reports Server (NTRS)

    Lee, Leonine; Rao, Gopalkrishna M.

    1999-01-01

    NASA/GSFC is interested in flying lithium ion cells for geosynchronous earth orbit (GEO) satellites. To determine the preferred solstice storage conditions for the lithium ion chemistry, we have been studying either a constant current storage with a maximum voltage clamp or storage with only a voltage clamp. The cells used for this study are two 4Ah SAFT cylindrical lithium ion cells, two 1.5Ah Wilson Great Batch lithium ion cells, and one 8Ah Lithium Technology lithium polymer cell. In each pair, one cell is clamped at 4V, and the other is trickle charged at C/500 with a 4.lV clamp. The Lithium Technology cell is only undergoing voltage clamped storage testing. After each storage period the cells are subjected to a capacity test (C/2 discharge, C/10 charge) and a charge retention test at room temperature. Results after 4 weeks and 8 weeks of storage testing will be presented here.

  4. The electric quadrupole moment of molecular hydrogen ions and their potential for a molecular ion clock

    NASA Astrophysics Data System (ADS)

    Bakalov, D.; Schiller, S.

    2014-01-01

    The systematic shifts of the transition frequencies in the molecular hydrogen ions are of relevance to ultra-high-resolution radio-frequency, microwave and optical spectroscopy of these systems, performed in ion traps. We develop the ab initio description of the interaction of the electric quadrupole moment of this class of molecules with the static electric field gradients present in ion traps. In good approximation, it is described in terms of an effective perturbation Hamiltonian. An approximate treatment is then performed in the Born-Oppenheimer approximation. We give an expression of the electric quadrupole coupling parameter valid for all hydrogen molecular ion species and evaluate it for a large number of states of H{2/+}, HD+, and D{2/+}. The systematic shifts can be evaluated as simple expectation values of the perturbation Hamiltonian. Results on radio-frequency, one-photon electric dipole (E1), and two-photon E1 transitions between hyperfine states in HD+ are reported. For two-photon E1 transitions between rotationless states, the shifts vanish. For a large subset of rovibrational one-photon transitions, the absolute values of the quadrupole shifts range from 0.3 to 10 Hz for an electric field gradient of 108 V/m2. We point out an experimental procedure for determining the quadrupole shift which will allow reducing its contribution to the uncertainty of unperturbed rovibrational transition frequencies to the 1 × 10-15 fractional level and, for selected transitions, even below it. The combined contributions of black-body radiation, Zeeman, Stark and quadrupole effects are considered for a large set of transitions, and it is estimated that the total transition frequency uncertainty of selected transitions can be reduced below the 1 × 10-15 level.

  5. Hydrogen/deuterium exchange of myoglobin ions in a linear quadrupole ion trap.

    PubMed

    Mao, Dunmin; Ding, Chuanfan; Douglas, D J

    2002-01-01

    The hydrogen/deuterium (H/D) exchange of gas-phase ions of holo- and apo-myoglobin has been studied by confining the ions in a linear quadrupole ion trap with D(2)O or CD(3)OD at a pressure of several mTorr. Apo-myoglobin ions were formed by collision-induced dissociation of holo-myoglobin ions between the orifice and skimmer of the ion sampling system. The exchange takes place on a time scale of seconds. Earlier cross section measurements have shown that holo-myoglobin ions can have more compact structures than apo-myoglobin. Despite this, both holo-myoglobin and apo-myoglobin in charge states +8 to +14 are found to exchange nearly the same number of hydrogens (ca. 103) in 4 s. It is possible the ions fold or unfold to new conformations on the much longer time scale of the exchange experiment compared with the cross section measurements.

  6. Development and testing of the improved focusing quadrupole for heavy ion fusion accelerators

    SciTech Connect

    Manahan, R R; Martovetsky, N N; Meinke, R B; Chiesa, L; Lietzke, A F; Sabbi, G L; Seidl, P A

    2003-10-23

    An improved version of the focusing magnet for a Heavy Ion Fusion (HIF) accelerator was designed, built and tested in 2002-2003. This quadrupole has higher focusing power and lower error field than the previous version of the focusing quadrupoles successfully built and tested in 2001. We discuss the features of the new design, selected fabrication issues and test results.

  7. Progress in the Development of Superconducting Quadrupoles forHeavy-ion Fusion

    SciTech Connect

    Faltens, A.; Lietzke, A.; Sabbi, G.; Seidl, P.; Lund, S.; Manahan, R.; Martovetsky, N.; Gung, C.; Minervini, J.; Schultz, J.; Myatt, L.; Meinke, R.

    2002-08-19

    The Heavy Ion Fusion program is developing single aperture superconducting quadrupoles based on NbTi conductor, for use in the High Current Experiment at Lawrence Berkeley National Laboratory. Following the fabrication and testing of prototypes using two different approaches, a baseline design has been selected and further optimized. A prototype cryostat for a quadrupole doublet, with features to accommodate induction acceleration modules, is being fabricated. The single aperture magnet was derived from a conceptual design of a quadrupole array magnet for multi-beam transport. Progress on the development of superconducting quadrupole arrays for future experiments is also reported.

  8. Progress in the development of superconducting quadrupoles for heavy ion fusion

    SciTech Connect

    Faltens, A.; Lietzke, A.; Sabbi, G.; Seidl, P.; Lund, S.; Manahan, B.; Martovetsky, N.; Gung, C.; Minervini, J.; Schultz, J.; Myatt, L.; Meinke, R.

    2002-05-24

    The Heavy Ion Fusion program is developing single aperture superconducting quadrupoles based on NbTi conductor, for use in the High Current Experiment at Lawrence Berkeley National Laboratory. Following the fabrication and testing of prototypes using two different approaches, a baseline design has been selected and further optimized. A prototype cryostat for a quadrupole doublet, with features to accommodate induction acceleration modules, is being fabricated. The single aperture magnet was derived from a conceptual design of a quadrupole array magnet for multi-beam transport. Progress on the development of superconducting quadrupole arrays for future experiments is also reported.

  9. Simulation of Ions Confined by Quadrupole Electric Fields

    NASA Astrophysics Data System (ADS)

    Cummings, Michael David

    Computer simulations are routinely used to develop physical insight into ionic systems confined by static and time-varying quadrupole electric fields. However, after nearly 30 years of numerical exploration, three questions remain: which numerical techniques produce accurate simulations for the least computational expense? How can thermal equilibrium initial conditions be generated? How should temperature be calculated? Trapped ion simulations generally employ molecular dynamics techniques, where ion trajectories are numerically calculated at discrete points in time. While many numerical methods have been applied to these systems, it is unclear which technique is fastest or what time-step is required. In this work, the computational speed of and time-step for 11 commonly used techniques are assessed through analysis of four numerical error components. The most rapid method and required step-size depend strongly on the system parameters, with any one of the Beeman, Gear6, 5th-order Adams-Bashforth-Moulton, or 4th-order Runge-Kutta algorithms proving most appropriate. The 11 algorithms are then applied to a realistic multi-ion system and verify that the four tests accurately predict the required step size. When equilibrium properties are desired, simulations should commence from initial conditions that conform closely to thermal equilibrium; however little has been published on initial condition generation and assessment for the multi-ion system. A method is presented for generating thermal equilibrium via laser cooling and recoil heating, a ramp-down stage, where the heating and cooling are gradually reduced, and an equilibration phase where the ensemble is evolved under only the trapping forces. Furthermore, it is demonstrated that thermal equilibrium can be assessed using well-known tests of distribution normality. When time-varying fields are present, temperature calculation becomes difficult, as the ion motion contains both thermal and nonthermal components. The

  10. A superconducting quadrupole magnet array for a heavy ion fusion driver

    SciTech Connect

    Caspi, S.; Bangerter, r.; Chow, K.; Faltens, A.; Gourley, S.; Hinkins, R.; Gupta, R.; Lee, E.; McInturff, A.; Scanlan, R.; Taylor, C.; Wolgast, D.

    2000-06-27

    A multi-channel quadrupole array has been proposed to increase beam intensity and reduce space charge effects in a Heavy Ion Fusion Driver. A single array unit composed of several quadrupole magnets, each with its own beam line, will be placed within a ferromagnetic accelerating core whose cost is directly affected by the array size. A large number of focusing arrays will be needed along the accelerating path. The use of a superconducting quadrupole magnet array will increase the field and reduce overall cost. We report here on the design of a compact 3 x 3 superconducting quadrupole magnet array. The overall array diameter and length including the cryostat is 900 x 700 mm. Each of the 9 quadrupole magnets has a 78 mm warm bore and an operating gradient of 50 T/m over an effective magnetic length of 320 mm.

  11. H/D exchange of gas phase bradykinin ions in a linear quadrupole ion trap.

    PubMed

    Mao, Dunmin; Douglas, D J

    2003-02-01

    The gas phase H/D exchange reaction of bradykinin ions, as well as fragment ions of bradykinin generated through collisions in an orifice skimmer region, have been studied with a linear quadrupole ion trap (LIT) reflectron time-of-flight (rTOF) mass spectrometer system. The reaction in the trap takes only tens of seconds at a pressure of few mTorr of D2O or CD3OD. The exchange rate and hydrogen exchange level are not sensitive to the trapping q value over a broad range, provided q is not close to the stability boundary (q = 0.908). The relative rates and hydrogen exchange levels of protonated and sodiated +1 and +2 ions are similar to those observed previously by others with a Fourier transform ion cyclotron resonance (FTICR) mass spectrometer system. The doubly and triply protonated ions show multimodal isotopic distributions, suggesting the presence of several different conformations. The y fragment ions show greater exchange rates and levels than a or b ions, and when water or ammonia is lost from the fragment ions, no exchange is observed.

  12. Electron transfer dissociation in the hexapole collision cell of a hybrid quadrupole-hexapole Fourier transform ion cyclotron resonance mass spectrometer.

    PubMed

    Kaplan, Desmond A; Hartmer, Ralf; Speir, J Paul; Stoermer, Carsten; Gumerov, Dmitry; Easterling, Michael L; Brekenfeld, Andreas; Kim, Taeman; Laukien, Frank; Park, Melvin A

    2008-01-01

    Electron transfer dissociation (ETD) of proteins is demonstrated in a hybrid quadrupole-hexapole Fourier transform ion cyclotron resonance mass spectrometer (Qh-FTICRMS). Analyte ions are selected in the mass analyzing quadrupole, accumulated in the hexapole linear ion trap, reacted with fluoranthene reagent anions, and then analyzed via an FTICR mass analyzer. The hexapole trap allows for a broad fragment ion mass range and a high ion storage capacity. Using a 3 T FTICRMS, resolutions of 60 000 were achieved with mass accuracies averaging below 1.4 ppm. The high resolution, high mass accuracy ETD spectra provided by FTICR obviates the need for proton transfer reaction (PTR) charge state reduction of ETD product ions when analyzing proteins or large peptides. This is demonstrated with the ETD of ubiquitin and apomyoglobin yielding sequence coverages of 37 and 20%, respectively. We believe this represents the first reported successful combination of ETD and a FTICRMS.

  13. Prediction of Collective Characteristics for Ion Ensembles in Quadrupole Ion Traps Without Trajectory Simulations

    SciTech Connect

    Goeringer, Doug; Viehland, Mr. Larry A.; Danailov, Daniel M.

    2006-01-01

    Fundamental aspects are presented of a two-temperature moment theory for quadrupole ion traps developed via transformation of the Boltzmann equation. Because the Boltzmann equation reflects changes to an ion distribution as a whole, the resulting general moment equation describes changes in the ensemble average for any function of ion velocity. Thus, the system of differential equations, formed from the general moment equation, can be solved directly (normally, by numerical methods) for average values of the velocity and of the effective temperature (or equivalently, center-of-mass energy), each as a function of time and position. The equations contain parameterized variables ! a and ! q , which are similar to those commonly used in ion trap studies, and ! b and ! d , which are parameterized forms of the voltages applied to the endcaps, to account for both ideal and commonly used ion trap configurations. Examples illustrate some of the capabilities of moment theory for predicting the time- and position-dependent characteristics of ion ensembles during various processes in ion traps of selected configurations.

  14. Electron Cloud Generation and Trapping in a Quadrupole Magnet at the Los Alamos Proton Storage Ring

    SciTech Connect

    Macek, Robert J.; Browman, Andrew A.; Ledford, John E.; Borden, Michael J.; O'Hara, James F.; McCrady, Rodney C.; Rybarcyk, Lawrence J.; Spickermann, Thomas; Zaugg, Thomas J.; Pivi, Mauro T.F.; /SLAC

    2008-03-17

    Recent beam physics studies on the two-stream e-p instability at the LANL proton storage ring (PSR) have focused on the role of the electron cloud generated in quadrupole magnets where primary electrons, which seed beam-induced multipacting, are expected to be largest due to grazing angle losses from the beam halo. A new diagnostic to measure electron cloud formation and trapping in a quadrupole magnet has been developed, installed, and successfully tested at PSR. Beam studies using this diagnostic show that the 'prompt' electron flux striking the wall in a quadrupole is comparable to the prompt signal in the adjacent drift space. In addition, the 'swept' electron signal, obtained using the sweeping feature of the diagnostic after the beam was extracted from the ring, was larger than expected and decayed slowly with an exponential time constant of 50 to 100 {micro}s. Other measurements include the cumulative energy spectra of prompt electrons and the variation of both prompt and swept electron signals with beam intensity. Experimental results were also obtained which suggest that a good fraction of the electrons observed in the adjacent drift space for the typical beam conditions in the 2006 run cycle were seeded by electrons ejected from the quadrupole.

  15. Linear radio frequency quadrupole for the cooling and bunching of radioactive ion beams

    SciTech Connect

    Darius, G.; Ban, G.; Bregeault, J.; Delahaye, P.; Desrues, Ph.; Durand, D.; Flechard, X.; Herbane, M.; Labalme, M.; LeBrun, Ch.; Lienard, E.; Mauger, F.; Merrer, Y.; Mery, A.; Naviliat-Cuncic, O.; Szerypo, J.; Vallerand, Ph.; Vandamme, Ch.

    2004-11-01

    A linear radio frequency quadrupole has been built for the transport, cooling, and bunching of radioactive ions extracted from an ECR source. The device uses the buffer gas cooling technique and was designed such as to extend the technique for the cooling of very light ions using H{sub 2} as buffer gas. We describe here the technical specifications of the device and present results of the first tests concerning the cooling and bunching of stable ions.

  16. Hybrid quadrupole mass filter/quadrupole ion trap/time-of-flight-mass spectrometer for infrared multiple photon dissociation spectroscopy of mass-selected ions

    SciTech Connect

    Gulyuz, Kerim; Stedwell, Corey N.; Wang Da; Polfer, Nick C.

    2011-05-15

    We present a laboratory-constructed mass spectrometer optimized for recording infrared multiple photon dissociation (IRMPD) spectra of mass-selected ions using a benchtop tunable infrared optical parametric oscillator/amplifier (OPO/A). The instrument is equipped with two ionization sources, an electrospray ionization source, as well as an electron ionization source for troubleshooting. This hybrid mass spectrometer is composed of a quadrupole mass filter for mass selection, a reduced pressure ({approx}10{sup -5} Torr) quadrupole ion trap (QIT) for OPO irradiation, and a reflectron time-of-flight drift tube for detecting the remaining precursor and photofragment ions. A helium gas pulse is introduced into the QIT to temporarily increase the pressure and hence enhance the trapping efficiency of axially injected ions. After a brief pump-down delay, the compact ion cloud is subjected to the focused output from the continuous wave OPO. In a recent study, we implemented this setup in the study of protonated tryptophan, TrpH{sup +}, as well as collision-induced dissociation products of this protonated amino acid [W. K. Mino, Jr., K. Gulyuz, D. Wang, C. N. Stedwell, and N. C. Polfer, J. Phys. Chem. Lett. 2, 299 (2011)]. Here, we give a more detailed account on the figures of merit of such IRMPD experiments. The appreciable photodissociation yields in these measurements demonstrate that IRMPD spectroscopy of covalently bound ions can be routinely carried out using benchtop OPO setups.

  17. Fundamental studies of ion injection and trapping of electrosprayed ions on a quadrupole ion trap mass spectrometer

    NASA Astrophysics Data System (ADS)

    Quarmby, Scott Thomas

    The quadrupole ion trap is a highly versatile and sensitive analytical mass spectrometer. Because of the advantages offered by the ion trap, there has been intense interest in coupling it to ionization techniques such as electrospray which form ions externally to the ion trap. In this work, experiments and computer simulations were employed to study the injection of electrosprayed ions into the ion trap of a Finnigan MAT LCQ LC/MS n mass spectrometer. The kinetic energy distribution of the ion beam was characterized and found to be relatively wide, a result of the high pressures from the atmospheric pressure source. One of the most important experimental parameters which affects ion injection efficiency is the RF voltage applied to the ring electrode. A theoretical model was fit to experimental data allowing the optimum RF voltage for trapping a given m/z ion to be predicted. Computer simulations of ion motion were performed to study the effect of various instrumental parameters on trapping efficiency. A commercially available ion optics program, SIMION v6.0, was chosen because it allowed the actual ion trap electrode geometry including endcap holes to be simulated. In contrast to previous computer simulations, SIMION provided the ability to start ions outside the ion trap and to simulate more accurately the injection of externally formed ions. The endcap holes were found to allow the RF field to penetrate out of the ion trap and affect ions as they approached the ion trap. From these simulations, a model for the process by which injected ions are trapped was developed. Using these computer simulations, techniques of improving trapping efficiency were investigated. Most previous techniques perturb ions which are already in the ion trap and therefore cannot be used to accumulate ions; the ability to accumulate ions is a necessity with ionization sources such as electrospray which form ions continuously. One such novel technique for improving trapping efficiency

  18. Evaluation of a novel design for an electrostatic quadrupole triplet ion beam lens

    NASA Astrophysics Data System (ADS)

    Burns, L. R.; Bouas, J. D.; Matteson, S.; Weathers, D. L.

    2007-08-01

    We describe the design and evaluation of an electrostatic quadrupole triplet lens constructed to focus ion beams of up to 200 keV in energy. The lens is very compact and incorporates a feature to induce octupole fields that can correct for spherical and other octupole-order aberrations. Two methods were used to evaluate the lens: observation of the focused beam spot on a specially fabricated target while systematically varying lens voltages, and the grid-shadow technique. The latter demonstrated that octupole-order aberrations were completely corrected in one direction when the lens quadrupoles were operated individually and excited to produce an appropriate octupole component of the electric field.

  19. Evaluation of a Novel Design for an Electrostatic Quadrupole Triplet Ion Beam Lens

    NASA Astrophysics Data System (ADS)

    Burns, L. R.; Bouas, J. D.; Matteson, S.; Weathers, D. L.

    2006-10-01

    We describe the design and evaluation of an electrostatic quadrupole triplet lens constructed to focus ion beams of up to 200 keV in energy. The lens is very compact and incorporates a feature to induce octupole fields that can correct for spherical and other octupole-order aberrations. Two methods were used to evaluate the lens: observation of the focused beam spot on a specially fabricated target while systematically varying lens voltages, and the grid-shadow technique. The latter demonstrated that octupole-order aberrations were completely corrected in one direction when the lens quadrupoles were operated individually with appropriate octupole excitations.

  20. Pharmaceutical metabolite profiling using quadrupole/ion mobility spectrometry/time-of-flight mass spectrometry.

    PubMed

    Chan, Eric C Y; New, Lee Sun; Yap, Chun Wei; Goh, Lin Tang

    2009-02-01

    The use of hybrid quadrupole ion mobility spectrometry time-of-flight mass spectrometry (Q/IMS/TOFMS) in the metabolite profiling of leflunomide (LEF) and acetaminophen (APAP) is presented. The IMS drift times (T(d)) of the drugs and their metabolites were determined in the IMS/TOFMS experiments and correlated with their exact monoisotopic masses and other in silico generated structural properties, such as connolly molecular area (CMA), connolly solvent-excluded volume (CSEV), principal moments of inertia along the X, Y and Z Cartesian coordinates (MI-X, MI-Y and MI-Z), inverse mobility and collision cross-section (CCS). The correlation of T(d) with these parameters is presented and discussed. IMS/TOF tandem mass spectrometry experiments (MS(2) and MS(3)) were successfully performed on the N-acetyl-p-benzoquinoneimine glutathione (NAPQI-GSH) adduct derived from the in vitro microsomal metabolism of APAP. As comparison, similar experiments were also performed using hybrid triple quadrupole linear ion trap mass spectrometry (QTRAPMS) and quadrupole time-of-flight mass spectrometry (QTOFMS). The abilities to resolve the product ions of the metabolite within the drift tube and fragment the ion mobility resolved product ions in the transfer travelling wave-enabled stacked ring ion guide (TWIG) demonstrated the potential applicability of the Q/IMS/TOFMS technique in pharmaceutical metabolite profiling.

  1. Effects of Coulomb quadrupole excitation in heavy-ion reactions

    NASA Astrophysics Data System (ADS)

    Cheoun, Myung-Ki; Choi, K. S.; Kim, K. S.; Kim, T. H.; So, W. Y.

    2016-09-01

    For 12C + 184W, 18O + 184W, and 20Ne + 208Pb systems, we investigate the suppression of the ratios P E = σ el/ σ RU by using the Coulomb quadrupole excitation (CQE) potentials. In order to explain the effect of the CQE potentials, we first use a well-known Love's CQE potential, and reproduce the experimental P E data well by using this potential. We also introduce a simple CQE potential written as W CQE( r) = - W P / r n , which is much simpler than the conventional Love's potential, to investigate the suppression of the P E ratios. Using this potential, we perform a χ2 analysis to find the adjustable parameter n, then, we find that the best fit parameters n ≈ 5 is close to the lowest order term, 1/ r 5. Consequently, we find that using the simple CQE potential explains the experimental P E data and that the ratio P E depends on the n values sensitively.

  2. Quadrupole Ion Mass Spectrometer for Masses of 2 to 50 Da

    NASA Technical Reports Server (NTRS)

    Helms, William; Griffin, Timothy P.; Ottens, Andrew; Harrison, Willard

    2005-01-01

    A customized quadrupole ion-trap mass spectrometer (QITMS) has been built to satisfy a need for a compact, rugged instrument for measuring small concentrations of hydrogen, helium, oxygen, and argon in a nitrogen atmosphere. This QITMS can also be used to perform quantitative analyses of other gases within its molecular-mass range, which is 2 to 50 daltons (Da). (More precisely, it can be used to perform quantitative analysis of gases that, when ionized, are characterized by m/Z ratios between 2 and 50, where m is the mass of an ion in daltons and Z is the number of fundamental electric charges on the ion.

  3. Storage-ring Electron Cooler for Relativistic Ion Beams

    SciTech Connect

    Lin, Fanglei; Derbenev, Yaroslav; Douglas, David R.; Guo, Jiquan; Johnson, Rolland P.; Krafft, Geoffrey A.; Morozov, Vasiliy; Zhang, Yuhong

    2016-05-01

    Application of electron cooling at ion energies above a few GeV has been limited due to reduction of electron cooling efficiency with energy and difficulty in producing and accelerating a high-current high-quality electron beam. A high-current storage-ring electron cooler offers a solution to both of these problems by maintaining high cooling beam quality through naturally-occurring synchrotron radiation damping of the electron beam. However, the range of ion energies where storage-ring electron cooling can be used has been limited by low electron beam damping rates at low ion energies and high equilibrium electron energy spread at high ion energies. This paper reports a development of a storage ring based cooler consisting of two sections with significantly different energies: the cooling and damping sections. The electron energy and other parameters in the cooling section are adjusted for optimum cooling of a stored ion beam. The beam parameters in the damping section are adjusted for optimum damping of the electron beam. The necessary energy difference is provided by an energy recovering SRF structure. A prototype linear optics of such storage-ring cooler is presented.

  4. Plasticizer contamination from vacuum system O-rings in a quadrupole ion trap mass spectrometer.

    PubMed

    Verge, Kent M; Agnes, George R

    2002-08-01

    The outgassing of plasticizers from Buna-N and Viton o-rings under vacuum lead to undesired ion-molecule chemistry in an Electrospray Quadrupole Ion Trap Mass Spectrometer. In experiments with the helium bath gas pressure >1.2 mTorr, or whenever analyte ions were stored for >100 ms, extensive loss of analyte ions by proton transfer or adduction with o-ring plasticizers bis(2-ethylhexyl) phthalate and bis(2-ethylhexyl) adipate occurred. A temporary solution to this contamination problem was found to be overnight refluxing in hexane of all the o-rings in the vacuum system. This procedure alleviated this plasticizer contamination for approximately 100 hours of operation. These results, and those that lead to identification of the contamination as plasticizers outgassing from o-rings are described.

  5. Systematic Azimuth Quadrupole and Minijet Trends from Two-Particle Correlations in Heavy-Ion Collisions

    NASA Astrophysics Data System (ADS)

    Kettler, David

    Heavy-ion collisions at the Relativistic Heavy Ion Collider (RHIC) produce a tremendous amount of data but new techniques are necessary for a comprehensive understanding of the physics behind these collisions. We present measurements from the STAR detector of both pt-integral and pt-differential azimuth two-particle correlations on azimuth (phi) and pseudorapidity (eta) for unidentified hadrons in Au-Au collisions at a center of mass energy = 62 and 200 GeV. The azimuth correlations can be fit to extract a quadrupole component--related to conventional v2 measures--and a same-side peak. The azimuth quadrupole component is distinguished from eta-localized same-side correlations by taking advantage of the full 2D eta and phi dependence. Both pt-integral and pt-differential results are presented as functions of Au-Au centrality. We observe simple universal energy and centrality trends for the pt-integral quadrupole component. pt-differential results can be transformed to reveal quadrupole pt spectra that are nearly independent of centrality. A parametrization of the pt-differential quadrupole shows a simple pt dependence that can be factorized from the centrality and collision energy dependence above 0.75 GeV/c. Angular correlations contain jet-like structure with most-probable hadron momentum 1 GeV/c. For better comparison to RHIC data we analyze the energy scale dependence of fragmentation functions from e+-e - collisions on rapidity y. We find that replotting fragmentation functions on a normalized rapidity variable results in a compact form precisely represented by the beta distribution, its two parameters varying slowly and simply with parton energy scale Q. The resulting parameterization enables extrapolation of fragmentation functions to low Q in order to describe fragment distributions at low transverse momentum ptin heavy ion collisions at RHIC. We convert minimum-bias jet-like angular correlations to single-particle hadron yields and compare them with parton

  6. Ultraviolet Photodissociation of Carboxylate-Derivatized Peptides in a Quadrupole Ion Trap

    NASA Astrophysics Data System (ADS)

    Ko, Byoung Joon; Brodbelt, Jennifer S.

    2011-01-01

    The fragmentation patterns obtained by ultraviolet photodissociation (UVPD) and collision-induced dissociation (CID) in a quadrupole ion trap mass spectrometer were compared for peptides modified at their C-termini and at acidic amino acids. Attachment of Alexa Fluor 350 or 7-amino-4-methyl-coumarin chromophores at the C-terminal and acidic residues enhances the UV absorptivity of the peptides and all fragment ions that retain the chromophore, such as the y ions that contain the chromophore-modified C-terminus. Whereas CID results in the formation of the typical array of mainly y-type and a/b-type fragment ions, UVPD produces predominantly a/b-type ions with greatly reduced abundances of y ions. Immonium ions, mostly ones from aromatic or basic amino acids, are also observed in the low m/ z range upon UVPD. UVPD of peptides containing two chromophore moieties (with one at the C-terminus and another at an acidic residue) results in even more efficient photodissociation at the expense of the annihilation of almost all diagnostic b and y ions containing the chromophore.

  7. Simulation of direct plasma injection for laser ion beam acceleration with a radio frequency quadrupole

    SciTech Connect

    Jin, Q. Y.; Li, Zh. M.; Liu, W.; Zhao, H. Y. Zhang, J. J.; Sha, Sh.; Zhang, Zh. L.; Zhang, X. Zh.; Sun, L. T.; Zhao, H. W.

    2014-07-15

    The direct plasma injection scheme (DPIS) has been being studied at Institute of Modern Physics since several years ago. A C{sup 6+} beam with peak current of 13 mA, energy of 593 keV/u has been successfully achieved after acceleration with DPIS method. To understand the process of DPIS, some simulations have been done as follows. First, with the total current intensity and the relative yields of different charge states for carbon ions measured at the different distance from the target, the absolute current intensities and time-dependences for different charge states are scaled to the exit of the laser ion source in the DPIS. Then with these derived values as the input parameters, the extraction of carbon beam from the laser ion source to the radio frequency quadrupole with DPIS is simulated, which is well agreed with the experiment results.

  8. Simulation of direct plasma injection for laser ion beam acceleration with a radio frequency quadrupole.

    PubMed

    Jin, Q Y; Zhao, H Y; Zhang, J J; Sha, Sh; Zhang, Zh L; Li, Zh M; Liu, W; Zhang, X Zh; Sun, L T; Zhao, H W

    2014-07-01

    The direct plasma injection scheme (DPIS) has been being studied at Institute of Modern Physics since several years ago. A C(6+) beam with peak current of 13 mA, energy of 593 keV/u has been successfully achieved after acceleration with DPIS method. To understand the process of DPIS, some simulations have been done as follows. First, with the total current intensity and the relative yields of different charge states for carbon ions measured at the different distance from the target, the absolute current intensities and time-dependences for different charge states are scaled to the exit of the laser ion source in the DPIS. Then with these derived values as the input parameters, the extraction of carbon beam from the laser ion source to the radio frequency quadrupole with DPIS is simulated, which is well agreed with the experiment results.

  9. Design and construction of a nanoelectrospray ion source for a triple quadrupole mass spectrometer

    NASA Astrophysics Data System (ADS)

    Troxler, Heinz; Wetzel, Erich; Kuster, Thomas; Heizmann, Claus W.

    1999-05-01

    The design and construction of a nanoelectrospray ion source for a triple quadrupole mass spectrometer that is used for identification and analysis of minimum peptide amounts is described. This interface exhibits several improvements over commercially available devices: a new capillary holder that allows very simple loading and placement of the spray capillary, and a rotary stage that enables reproducible adjustment of the capillary's angle at the orifice of the mass spectrometer. We also introduced a pressure-regulating system for fast and reproducible adjustment of the static backing air pressure onto the sample solution in the spray capillary. Furthermore, an electric safety circuit increases handling and operation safety of the nanoelectrospray interface.

  10. Infrared ion spectroscopy in a modified quadrupole ion trap mass spectrometer at the FELIX free electron laser laboratory

    NASA Astrophysics Data System (ADS)

    Martens, Jonathan; Berden, Giel; Gebhardt, Christoph R.; Oomens, Jos

    2016-10-01

    We report on modifications made to a Paul-type quadrupole ion trap mass spectrometer and discuss its application in infrared ion spectroscopy experiments. Main modifications involve optical access to the trapped ions and hardware and software coupling to a variety of infrared laser sources at the FELIX infrared free electron laser laboratory. In comparison to previously described infrared ion spectroscopy experiments at the FELIX laboratory, we find significant improvements in efficiency and sensitivity. Effects of the trapping conditions of the ions on the IR multiple photon dissociation spectra are explored. Enhanced photo-dissociation is found at lower pressures in the ion trap. Spectra obtained under reduced pressure conditions are found to more closely mimic those obtained in the high-vacuum conditions of an Fourier transform ion cyclotron resonance mass spectrometer. A gas-mixing system is described enabling the controlled addition of a secondary gas into helium buffer gas flowing into the trap and allows for ion/molecule reactions in the trap. The electron transfer dissociation (ETD) option of the mass spectrometer allows for IR structure characterization of ETD-generated peptide dissociation products.

  11. 33.7 MHz heavy-ion radio frequency quadrupole linac at VECC Kolkata

    SciTech Connect

    Chakrabarti, Alok; Naik, Vaishali; Dechoudhury, Siddhartha; Bandyopadhyay, Arup; Mondal, Manas; Pandey, Hemendra Kumar; Roy, Tapatee Kundu; Sanyal, Dirtha; Bhowmick, Debasis

    2007-04-15

    A 33.7 MHz heavy-ion radio frequency quadrupole (RFQ) linear accelerator has been designed, built, and tested. It is a four-rod-type RFQ designed for acceleration of 1.38 keV/u, q/A{>=}1/16 ions to about 29 keV/u. Transmission efficiencies of about 85% and 80% have been measured for the unanalyzed and analyzed beams, respectively, of oxygen ({sup 16}O{sup 2+}, {sup 16}O{sup 3+}, {sup 16}O{sup 4+}), nitrogen ({sup 14}N{sup 3+}, {sup 14}N{sup 4+}), and argon ({sup 40}Ar{sup 4+}). The system design and measurements along with results of beam acceleration test will be presented.

  12. Broad-Spectrum Drug Screening Using Liquid Chromatography-Hybrid Triple-Quadrupole Linear Ion Trap Mass Spectrometry.

    PubMed

    Stone, Judy

    2016-01-01

    Urine is processed with a simple C18 solid-phase extraction (SPE) and reconstituted in mobile phase. The liquid chromatography system (LC) injects 10 μL of extracted sample onto a reverse-phase LC column for gradient analysis with ammonium formate/acetonitrile mobile phases. Drugs in the column eluent become charged in the ion source using positive electrospray ionization (ESI). Pseudomolecular ions (M + H) are analyzed by a hybrid triple-quadrupole linear ion trap (QqQ and QqLIT) mass spectrometer using an SRM-IDA-EPI acquisition. An initial 125 compound selected ion monitoring (SRM) survey scan (triple quadrupole or QqQ mode) is processed by the information-dependent acquisition (IDA) algorithm. The IDA algorithm selects SRM signals from the survey scan with a peak height above the threshold (the three most abundant SRM signals above 1000 cps) to define precursor ions for subsequent dependent scanning. In the dependent QqLIT scan(s), selected precursor ion(s) are passed through the first quadrupole (Q1), fragmented with three different collision energies in the collision cell (Q2 or q), and product ions are collected in the third quadrupole (Q3), now operating as a linear ion trap (LIT). The ions are scanned out of the LIT in a mass dependent manner to produce a full-scan product ion spectrum (m/z 50-700) defined as an Enhanced (meaning acquired in LIT mode) Product Ion (EPI) spectrum (Mueller et al., Rapid Commun Mass Spectrom 19:1332-1338, 2005). Each EPI spectrum is linked to its precursor ion and to the associated SRM peak from the survey scan. EPI spectra are automatically searched against a 125 drug library of reference EPI spectra for identification. When the duty cycle is complete (one survey scan of 125 SRMs plus 0-3 dependent IDA-EPI scans) the mass spectrometer begins another survey scan of the 125 SRMs.

  13. Storage Characteristics of Lithium Ion Cells

    NASA Technical Reports Server (NTRS)

    Ratnakumar, B. V.; Smart, M. C.; Blosiu, J. O.; Surampudi, S.

    2000-01-01

    Lithium ion cells are being developed under the NASA/Air Force Consortium for the upcoming aerospace missions. First among these missions are the Mars 2001 Lander and Mars 2003 Lander and Rover missions. Apart from the usual needs of high specific energy, energy density and long cycle life, a critical performance characteristic for the Mars missions is low temperature performance. The batteries need to perform well at -20 C, with at least 70% of the rated capacity realizable at moderate discharge rates (C/5). Several modifications have been made to the lithium ion chemistry, mainly with respect to the electrolyte, both at JPL' and elsewhere to achieve this. Another key requirement for the battery is its storageability during pre-cruise and cruise periods. For the Mars programs, the cruise period is relatively short, about 12 months, compared to the Outer Planets missions (3-8 years). Yet, the initial results of our storage studies reveal that the cells do sustain noticeable permanent degradation under certain storage conditions, typically of 10% over two months duration at ambient temperatures, attributed to impedance buildup. The build up of the cell impedance or the decay in the cell capacity is affected by various storage parameters, i.e., storage temperature, storage duration, storage mode (open circuit, on buss or cycling at low rates) and state of charge. Our preliminary studies indicate that low storage temperatures and states of charge are preferable. In some cases, we have observed permanent capacity losses of approx. 10% over eight-week storage at 40 C, compared to approx. 0-2% at O C. Also, we are attempting to determine the impact of cell chemistry and design upon the storageability of Li ion cells.

  14. A 3T external source quadrupole Fourier transform mass spectrometer for ion/molecule reactions and analysis

    NASA Astrophysics Data System (ADS)

    McCullough, Sési M.; Gard, Eric; Lebrilla, Carlito B.

    1991-06-01

    A versatile quadrupole Fourier transform mass spectrometry instrument for both ion/molecule chemistry and analysis is described. Preliminary results show that despite the relatively low field (3T), a large mass range (up to m/z 16 000) and high resolution (41 000 FWHH at m/z 1692) are obtained. Metal ions (e.g. Fe+) for ion/molecule chemistry and organic ions (e.g. maltose) for analysis are routinely produced via secondary ion mass spectrometry (and liquid secondary ion mass spectrometry) in the external source.

  15. Potential distribution and transmission characteristics in a curved quadrupole ion guide.

    PubMed

    Zhou, Xiaoyu; Xiong, Caiqiao; Xu, Gaoping; Liu, Hao; Tang, Yin; Zhu, Zhiqiang; Chen, Rui; Qiao, Haoxue; Tseng, Yao-Hsin; Peng, Wen-Ping; Nie, Zongxiu; Chen, Yi

    2011-02-01

    The potential distribution in the curved quadrupole is exactly characterized by the Laplace equation, and an approximate solution to the Laplace equation is calculated. We represent the Laplace equation under the coordinates named minimal rotation frame (MRF) and derive an expression on the hexapole and octopole superposition. Our conclusion is in agreement with the results by the numerical (SIMION) method. Based on the Poincare-Lighthill-Kuo (PLK) method reported in our previous work, the nonlinear effects of ion motion are investigated in detail. The frequency shift of ion motion can be well eliminated by coupling the hexapole component with a positive octopole component, and the transmission efficiency of ions is found to decrease dramatically with the increase of the ionic kinetic energy in the z-direction. Furthermore, the transmission characteristics of ions are discussed with regards to the phase-space theory. The results show that the centrifugally introduced axis shift is mainly responsible for the ion losses. A modified direct current (dc) voltage supply pattern is hence proposed to compensate for this effect.

  16. Potential of electric quadrupole transitions in radium isotopes for single-ion optical frequency standards

    SciTech Connect

    Versolato, O. O.; Wansbeek, L. W.; Jungmann, K.; Timmermans, R. G. E.; Willmann, L.; Wilschut, H. W.

    2011-04-15

    We explore the potential of the electric quadrupole transitions 7s {sup 2}S{sub 1/2}-6d {sup 2}D{sub 3/2}, 6d {sup 2}D{sub 5/2} in radium isotopes as single-ion optical frequency standards. The frequency shifts of the clock transitions due to external fields and the corresponding uncertainties are calculated. Several competitive {sup A}Ra{sup +} candidates, with A= 223-229, are identified. In particular, we show that the transition 7s {sup 2}S{sub 1/2} (F=2,m{sub F}=0)-6d {sup 2}D{sub 3/2} (F=0,m{sub F}=0) at 828 nm in {sup 223}Ra{sup +}, with no linear Zeeman and electric quadrupole shifts, stands out as a relatively simple case, which could be exploited as a compact, robust, and low-cost atomic clock operating at a fractional frequency uncertainty of 10{sup -17}. With more experimental effort, the {sup 223,225,226}Ra{sup +} clocks could be pushed to a projected performance reaching the 10{sup -18} level.

  17. Evaluation of a Novel Design for an Electrostatic Quadrupole Triplet Ion Beam Lens

    NASA Astrophysics Data System (ADS)

    Burns, L. R.; Bouas, J. D.; Matteson, S.; Weathers, D. L.

    2006-12-01

    We describe the design and evaluation of an electrostatic quadrupole triplet lens constructed to focus ion beams of up to 200 keV in energy. The lens was built to be used in an apparatus for fundamental sputtering studies. These studies are motivated in part by a desire to understand the influence of low-energy physiochemical processes on surfaces and atmospheres exposed to the solar wind in the inner Solar System. The lens is very compact and incorporates a feature to induce octupole fields that can correct for spherical and other octupole-order aberrations. Two methods were used to evaluate the lens: observation of the focused beam spot on a specially fabricated target while systematically varying lens voltages, and the grid-shadow technique. The latter demonstrated that octupole-order aberrations were completely corrected in one direction when the lens quadrupoles were operated individually with appropriate octupole excitations. This research was made possible by a grant from the National Science Foundation through the Physics Research Experience for Undergraduates (REU) Program at the University of North Texas. Additionally, funding was provided by the Ronald E. McNair Post-baccalaureate Achievement Program at the University of North Texas.

  18. Multigenerational Broadband Collision-Induced Dissociation of Precursor Ions in a Linear Quadrupole Ion Trap

    NASA Astrophysics Data System (ADS)

    Snyder, Dalton T.; Cooks, R. Graham

    2016-12-01

    A method of fragmenting ions over a wide range of m/ z values while balancing energy deposition into the precursor ion and available product ion mass range is demonstrated. In the method, which we refer to as "multigenerational collision-induced dissociation", the radiofrequency (rf) amplitude is first increased to bring the lowest m/ z of the precursor ion of interest to just below the boundary of the Mathieu stability diagram (q = 0.908). A supplementary AC signal at a fixed Mathieu q in the range 0.2-0.35 (chosen to balance precursor ion potential well depth with available product ion mass range) is then used for ion excitation as the rf amplitude is scanned downward, thus fragmenting the precursor ion population from high to low m/ z. The method is shown to generate high intensities of product ions compared with other broadband CID methods while retaining low mass ions during the fragmentation step, resulting in extensive fragment ion coverage for various components of complex mixtures. Because ions are fragmented from high to low m/ z, space charge effects are minimized and multiple discrete generations of product ions are produced, thereby giving rise to "multigenerational" product ion mass spectra.

  19. Multigenerational Broadband Collision-Induced Dissociation of Precursor Ions in a Linear Quadrupole Ion Trap.

    PubMed

    Snyder, Dalton T; Cooks, R Graham

    2016-12-01

    A method of fragmenting ions over a wide range of m/z values while balancing energy deposition into the precursor ion and available product ion mass range is demonstrated. In the method, which we refer to as "multigenerational collision-induced dissociation", the radiofrequency (rf) amplitude is first increased to bring the lowest m/z of the precursor ion of interest to just below the boundary of the Mathieu stability diagram (q = 0.908). A supplementary AC signal at a fixed Mathieu q in the range 0.2-0.35 (chosen to balance precursor ion potential well depth with available product ion mass range) is then used for ion excitation as the rf amplitude is scanned downward, thus fragmenting the precursor ion population from high to low m/z. The method is shown to generate high intensities of product ions compared with other broadband CID methods while retaining low mass ions during the fragmentation step, resulting in extensive fragment ion coverage for various components of complex mixtures. Because ions are fragmented from high to low m/z, space charge effects are minimized and multiple discrete generations of product ions are produced, thereby giving rise to "multigenerational" product ion mass spectra. Graphical Abstract ᅟ.

  20. Dynamic collision-induced dissociation of peptides in a quadrupole ion trap mass spectrometer.

    PubMed

    Collin, Olivier L; Beier, Matthias; Jackson, Glen P

    2007-07-15

    The fragmentation of natural peptides using dynamic collision-induced dissociation (DCID), a novel fragmentation method for quadrupole ion traps, is demonstrated. Using leucine enkephalin as a diagnostic molecule, the fragmentation efficiencies and energetics of DCID are compared with other methods of collisional activation in ion traps such as conventional on-resonance excitation and high-amplitude short-time excitation (HASTE). A typical fragmentation efficiency of approximately 20% is achieved for DCID, which is significantly lower than conventional CID (maximum near 80%). Tandem mass spectra of two other peptides, substance P and oxidized insulin alpha-chain, demonstrate that product ion spectra for DCID are comparable to conventional or HASTE CID. Because DCID achieves fragmentation during the standard mass acquisition scan, no extra time is necessary for on-resonance excitation or product ion collection, so analysis times are reduced by a minimum of 10-15% depending on the scanning conditions. DCID therefore offers more tandem mass spectra per second than conventional methods of collisional activation, which could be highly advantageous for bottom-up proteomics separations.

  1. Ion sponge: a 3-dimentional array of quadrupole ion traps for trapping and mass-selectively processing ions in gas phase.

    PubMed

    Xu, Wei; Li, Linfan; Zhou, Xiaoyu; Ouyang, Zheng

    2014-05-06

    In this study, the concept of ion sponge has been explored for developing 3D arrays of large numbers of ion traps but with simple configurations. An ion sponge device with 484 trapping units in a volume of 10 × 10 × 3.2 cm has been constructed by simply stacking 9 meshes together. A single rf was used for trapping ions and mass-selective ion processing. The ion sponge provides a large trapping capacity and is highly transparent for transfer of ions, neutrals, and photons for gas phase ion processing. Multiple layers of quadrupole ion traps, with 121 trapping units in each layer, can operate as a single device for MS or MS/MS analysis, or as a series of mass-selective trapping devices with interlayer ion transfers facilitated by AC and DC voltages. Automatic sorting of ions to different trapping layers based on their mass-to-charge (m/z) ratios was achieved with traps of different sizes. Tandem-in-space MS/MS has also been demonstrated with precursor ions and fragment ions trapped in separate locations.

  2. Quadrupole ion trap studies of the structure and reactivity of transition metal ion pair complexes

    PubMed

    Vachet; Callahan

    2000-03-01

    Ion pairs are common species observed in the electrospray mass spectra of transition metal coordination complexes. To understand the nature of these ion pairs, a systematic study of the gas-phase chemistry of these species using ion-molecule reactions and collision-induced dissociation (CID) was carried out. Ion pair complexes of the type MLnX+ (where M is Mn(II), Fe(II), Co(II), Ni(II), Cu(II) or Zn(II), L is 1,10-phenanthroline, 2,2'-bipyridine, ethylenediamine, diethylenetriamine or 1,4,8,11-tetraazacyclotetradecane and X is Cl-, NO3-, acetylacetonate, ClO4-, acetate or SCN-) were studied. Ion-molecule reactions can distinguish whether the counterion in an ion pair is an inner- or outer-sphere ligand and can determine the coordination mode of the counterion. In addition, CID and ion-molecule reactions reveal some interesting chemistry of these complexes and unique coordination modes for some of the anions studied here were inferred from the ion-molecule reactions. For example, the thiocyanate ion is found to coordinate in a bidentate fashion in Zn(II) and Ni(II) complexes, contrasting behavior typically observed in solution. Also, certain Co(II) and Fe(II) ion pair complexes undergo oxidation reactions in which species such as dioxygen and nitric oxide from the counterions ClO4- and NO3- are transferred to the Co(II) and Fe(II) complexes, showing the inherent affinity of these metals for these molecules. These complexes were also studied by ion-molecule reactions and CID. Dioxygen in complexes formed by CID is demonstrated to be bidentate, suggesting the formation of a peroxo ligand with concurrent oxidation of the metal.

  3. Comparison Of Electromagnetic, Electrostatic And Permanent Magnet Quadrupole Lens Probe-Forming Systems For High Energy Ions

    SciTech Connect

    Dymnikov, Alexander D.; Glass, Gary A.

    2011-06-01

    The focusing system is an essential part of any ion microbeam system and focusing of MeV ion beams is generally accomplished using quadrupole lenses. There are two types of quadrupole lenses requiring the application of either voltage or current to provide the excitation, but there is also the possibility of utilizing lenses constructed from permanent magnets. All of these lens types have different advantages and disadvantages. Most microprobes employ electromagnetic quadrupoles for focusing, however electrostatic lenses have several advantages with respect to electromagnetic lenses, including significantly smaller size, no hysteresis effects, no heating, the utilization of highly stable voltage supplies, focusing which is independent of ion mass, and construction from industrial grade materials. The main advantage of the permanent magnetic lens is that it does not require the application of external power which can significantly reduce the overall lifetime cost. In this presentation, the short probe-forming systems comprised from all these types of quadrupole lenses are compared and the smallest beam spot size and appropriate optimal parameters of these probe-forming systems are determined.

  4. Uv-Uv Hole-Burning Spectroscopy of a Protonated Adenine Dimer in a Cold Quadrupole Ion Trap

    NASA Astrophysics Data System (ADS)

    Kang, Hyuk

    2015-06-01

    A novel method for double-resonance photofragmentation spectroscopy in a cold quadrupole ion trap has been developed and utilized to differentiate the structures of a cold protonated adenine dimer. A burn laser generates a population hole of a certain conformer of the dimer stored in a cold quadrupole ion trap, and an auxiliary dipolar RF ejects the photofragments by the burn laser from the trap. A probe laser detects depletion of a certain conformer by the burn laser, and a conformer-specific UV or IR spectrum of a cold ion is obtained by scanning the wavelength of the burn or the probe laser. This simple and versatile method is applicable to any type of double-resonance photofragmentation spectroscopy in a cold quadrupole ion trap. To demonstrate its capability, it was applied to UV-UV hole-burning spectroscopy of a protonated adenine dimer. It is proved that a cold protonated adenine dimer has at least two hydrogen-bonding geometries and each has multiple electronically excited states with significantly different spectral bandwidths, possibly due to different excited state dynamics.

  5. Degradation study of enniatins by liquid chromatography-triple quadrupole linear ion trap mass spectrometry.

    PubMed

    Serrano, A B; Meca, G; Font, G; Ferrer, E

    2013-12-15

    Enniatins A, A1, B and B1 (ENs) are mycotoxins produced by Fusarium spp. and are normal contaminants of cereals and derivate products. In this study, the stability of ENs was evaluated during food processing by simulation of pasta cooking. Thermal treatments at different incubation times (5, 10 and 15 min) and different pH (4, 7 and 10) were applied in an aqueous system and pasta resembling system (PRS). The concentrations of the targeted mycotoxins were determined using liquid chromatography coupled to tandem mass spectrometry. High percentages of ENs reduction (81-100%) were evidenced in the PRS after the treatments at 5, 10 and 15 min of incubation. In contrast to the PRS, an important reduction of the ENs was obtained in the aqueous system after 15 min of incubation (82-100%). In general, no significant differences were observed between acid, neutral and basic solutions. Finally, several ENs degradation products were identified using the technique of liquid chromatography-triple quadrupole linear ion trap mass spectrometry.

  6. Quantitative profiling of phospholipids by multiple precursor ion scanning on a hybrid quadrupole time-of-flight mass spectrometer.

    PubMed

    Ekroos, Kim; Chernushevich, Igor V; Simons, Kai; Shevchenko, Andrej

    2002-03-01

    A hybrid quadrupole time-of-flight mass spectrometer featured with ion trapping capabilities was employed for quantitative profiling of total extracts of endogenous phospholipids. Simultaneous acquisition of precursor ion spectra of multiple fragment ions allowed detection of major classes of phospholipids in a single experiment. Relative changes in their concentration were monitored using a mixture of isotopically labeled endogenous lipids as a comprehensive internal standard. Precursor ion scanning spectra were acquired simultaneously for acyl anions of major fatty acids in negative ion mode and identified the fatty acid moieties and their relative position at the glycerol backbone in individual lipid species. Taken together, a combination of multiple precursor ion scans allowed quantitative monitoring of major perturbation in phospholipid composition and elucidating of molecular heterogeneity of individual lipid species.

  7. A thermosphere composition measurement using a quadrupole mass spectrometer with a side energy focussing quasi-open ion source

    NASA Technical Reports Server (NTRS)

    Niemann, H. B.; Spencer, N. W.; Schmitt, G. A.

    1971-01-01

    The atomic oxygen concentration in the altitude range 130 to 240 km was determined through the use of a quadrupole spectrometer with a strongly focussing ion source. The instrument is used in the Thermosphere Probe in a manner that greatly increases the proportion of measured oxygen ions that have not experienced a surface collision and permits quantitative evaluation of surface recombination and thermalization effects which inevitably enter all spectrometer determinations. The data obtained strengthen the concept that consideration of surface effects is significant in quantifying spectrometer measurements of reactive gases, and tend to be in agreement with von Zahn's recent results.

  8. A cylindrical quadrupole ion trap in combination with an electrospray ion source for gas-phase luminescence and absorption spectroscopy.

    PubMed

    Stockett, Mark H; Houmøller, Jørgen; Støchkel, Kristian; Svendsen, Annette; Brøndsted Nielsen, Steen

    2016-05-01

    A relatively simple setup for collection and detection of light emitted from isolated photo-excited molecular ions has been constructed. It benefits from a high collection efficiency of photons, which is accomplished by using a cylindrical ion trap where one end-cap electrode is a mesh grid combined with an aspheric condenser lens. The geometry permits nearly 10% of the emitted light to be collected and, after transmission losses, approximately 5% to be delivered to the entrance of a grating spectrometer equipped with a detector array. The high collection efficiency enables the use of pulsed tunable lasers with low repetition rates (e.g., 20 Hz) instead of continuous wave (cw) lasers or very high repetition rate (e.g., MHz) lasers that are typically used as light sources for gas-phase fluorescence experiments on molecular ions. A hole has been drilled in the cylinder electrode so that a light pulse can interact with the ion cloud in the center of the trap. Simulations indicate that these modifications to the trap do not significantly affect the storage capability and the overall shape of the ion cloud. The overlap between the ion cloud and the laser light is basically 100%, and experimentally >50% of negatively charged chromophore ions are routinely photodepleted. The performance of the setup is illustrated based on fluorescence spectra of several laser dyes, and the quality of these spectra is comparable to those reported by other groups. Finally, by replacing the optical system with a channeltron detector, we demonstrate that the setup can also be used for gas-phase action spectroscopy where either depletion or fragmentation is monitored to provide an indirect measurement on the absorption spectrum of the ion.

  9. A cylindrical quadrupole ion trap in combination with an electrospray ion source for gas-phase luminescence and absorption spectroscopy

    NASA Astrophysics Data System (ADS)

    Stockett, Mark H.; Houmøller, Jørgen; Støchkel, Kristian; Svendsen, Annette; Brøndsted Nielsen, Steen

    2016-05-01

    A relatively simple setup for collection and detection of light emitted from isolated photo-excited molecular ions has been constructed. It benefits from a high collection efficiency of photons, which is accomplished by using a cylindrical ion trap where one end-cap electrode is a mesh grid combined with an aspheric condenser lens. The geometry permits nearly 10% of the emitted light to be collected and, after transmission losses, approximately 5% to be delivered to the entrance of a grating spectrometer equipped with a detector array. The high collection efficiency enables the use of pulsed tunable lasers with low repetition rates (e.g., 20 Hz) instead of continuous wave (cw) lasers or very high repetition rate (e.g., MHz) lasers that are typically used as light sources for gas-phase fluorescence experiments on molecular ions. A hole has been drilled in the cylinder electrode so that a light pulse can interact with the ion cloud in the center of the trap. Simulations indicate that these modifications to the trap do not significantly affect the storage capability and the overall shape of the ion cloud. The overlap between the ion cloud and the laser light is basically 100%, and experimentally >50% of negatively charged chromophore ions are routinely photodepleted. The performance of the setup is illustrated based on fluorescence spectra of several laser dyes, and the quality of these spectra is comparable to those reported by other groups. Finally, by replacing the optical system with a channeltron detector, we demonstrate that the setup can also be used for gas-phase action spectroscopy where either depletion or fragmentation is monitored to provide an indirect measurement on the absorption spectrum of the ion.

  10. Orthogonal Injection Ion Funnel Interface Providing Enhanced Performance for Selected Reaction Monitoring-Triple Quadrupole Mass Spectrometry

    SciTech Connect

    Chen, Tsung-Chi; Fillmore, Thomas L.; Prost, Spencer A.; Moore, Ronald J.; Ibrahim, Yehia M.; Smith, Richard D.

    2015-06-24

    The electrodynamic ion funnel facilitates efficient focusing and transfer of charged particles in the higher pressure regions (e.g. ion source interfaces) of mass spectrometers, and thus providing increased sensitivity. An “off-axis” ion funnel design has been developed to reduce the source contamination and interferences from, e.g. ESI droplet residue and other poorly focused neutral or charged particles with very high mass-to charge ratios. In this study a dual ion funnel interface consisting of an orthogonal higher pressure electrodynamic ion funnel (HPIF) and an ion funnel trap combined with a triple quadruple mass spectrometer was developed and characterized. An orthogonal ion injection inlet and a repeller plate electrode was used to direct ions to an ion funnel HPIF at 9-10 Torr pressure. Several critical factors for the HPIF were characterized, including the effects of RF amplitude, DC gradient and operating pressure. Compared to the triple quadrupole standard interface more than 4-fold improvement in the limit of detection for the direct quantitative MS analysis of low abundance peptides was observed. Lastly, the sensitivity enhancement in liquid chromatography selected reaction monitoring (SRM) analyses of low abundance peptides spiked into a highly complex mixture was also compared with that obtained using a both commercial s-lens interface and a in-line dual ion funnel interface.

  11. Energy-resolved depth profiling of metal-polymer interfaces using dynamic quadrupole secondary ion mass spectrometry.

    PubMed

    Téllez, Helena; Vadillo, José M; Laserna, J Javier

    2009-08-01

    Quadrupole secondary ion mass spectrometry (qSIMS) characterization of a metallized polypropylene film used in the manufacturing of capacitors has been performed. Ar(+) primary ions were used to preserve the oxidation state of the surface. The sample exhibits an incomplete metallization that made it difficult to determine the exact location of the metal-polymer interface due to the simultaneous contribution of ions with identical m/z values from the metallic and the polymer layers. Energy filtering by means of a 45 degrees electrostatic analyzer allowed resolution of the metal-polymer interface by selecting a suitable kinetic energy corresponding to the ions generated in the metallized layer but not from the polymer. Under these conditions, selective analyses of isobaric interferences such as (27)Al(+) and (27)C(2)H(3) (+) or (43)AlO(+) and (43)C(3)H(7) (+) have been successfully performed.

  12. Determination of vanillin, ethyl vanillin, and coumarin in infant formula by liquid chromatography-quadrupole linear ion trap mass spectrometry.

    PubMed

    Shen, Yan; Han, Chao; Liu, Bin; Lin, Zhengfeng; Zhou, Xiujin; Wang, Chengjun; Zhu, Zhenou

    2014-02-01

    A simple, precise, accurate, and validated liquid chromatography-quadrupole linear ion trap mass spectrometry method was developed for the determination of vanillin, ethyl vanillin, and coumarin in infant formula samples. Following ultrasonic extraction with methanol/water (1:1, vol/vol), and clean-up on an HLB solid-phase extraction cartridge (Waters Corp., Milford, MA), samples were separated on a Waters XSelect HSS T3 column (150 × 2.1-mm i.d., 5-μm film thickness; Waters Corp.), with 0.1% formic acid solution-acetonitrile as mobile phase at a flow rate of 0.25 mL/min. Quantification of the target was performed by the internal standard approach, using isotopically labeled compounds for each chemical group, to correct matrix effects. Data acquisition was carried out in multiple reaction monitoring transitions mode, monitoring 2 multiple reaction monitoring transitions to ensure an accurate identification of target compounds in the samples. Additional identification and confirmation of target compounds were performed using the enhanced product ion modus of the linear ion trap. The novel liquid chromatography-quadrupole linear ion trap mass spectrometry platform offers the best sensitivity and specificity for characterization and quantitative determination of vanillin, ethyl vanillin, and coumarin in infant formula and fulfills the quality criteria for routine laboratory application.

  13. Selective injection and isolation of ions in quadrupole ion trap mass spectrometry using notched waveforms created using the inverse Fourier transform

    SciTech Connect

    Soni, M.H.; Cooks, R.G. )

    1994-08-01

    Broad-band excitation of ions is accomplished in the quadrupole ion trap mass spectrometer using notched waveforms created by the SWIFT (stored waveform inverse Fourier transform) technique. A series of notched SWIFT pulses are applied during the period of ion injection from an external Cs[sup +] source to resonantly eject all ions whose resonance frequencies fall within the frequency range of the pulse while injecting only those analyte ions whose resonance frequencies fall within the limits of the notch. This allows selective injection and accumulation of the ions of interest and continuous ejection of the unwanted ions. This is shown to result in significant improvement in S/N ratio, resolution, and sensitivity for the analyte ions of interest. Selective ion injection is demonstrated by injecting the protonated molecules of peptides VSV and gramicidin S and the intact cation of l-carnitine hydrochloride, using singly notched SWIFT pulses. Multiply notched SWIFT pulses are used to simultaneously inject ions of different m/z values of l-carnitine hydrochloride into the ion trap. A new coarse/fine ion isolation procedure, which employs a doubly notched SWIFT pulse, is demonstrated for isolating ions of a single m/z value of 4-bromobiphenyl from a population of trapped ions. 36 refs., 10 figs., 2 tabs.

  14. Orthogonal Injection Ion Funnel Interface Providing Enhanced Performance for Selected Reaction Monitoring-Triple Quadrupole Mass Spectrometry

    DOE PAGES

    Chen, Tsung-Chi; Fillmore, Thomas L.; Prost, Spencer A.; ...

    2015-06-24

    The electrodynamic ion funnel facilitates efficient focusing and transfer of charged particles in the higher pressure regions (e.g. ion source interfaces) of mass spectrometers, and thus providing increased sensitivity. An “off-axis” ion funnel design has been developed to reduce the source contamination and interferences from, e.g. ESI droplet residue and other poorly focused neutral or charged particles with very high mass-to charge ratios. In this study a dual ion funnel interface consisting of an orthogonal higher pressure electrodynamic ion funnel (HPIF) and an ion funnel trap combined with a triple quadruple mass spectrometer was developed and characterized. An orthogonal ionmore » injection inlet and a repeller plate electrode was used to direct ions to an ion funnel HPIF at 9-10 Torr pressure. Several critical factors for the HPIF were characterized, including the effects of RF amplitude, DC gradient and operating pressure. Compared to the triple quadrupole standard interface more than 4-fold improvement in the limit of detection for the direct quantitative MS analysis of low abundance peptides was observed. Lastly, the sensitivity enhancement in liquid chromatography selected reaction monitoring (SRM) analyses of low abundance peptides spiked into a highly complex mixture was also compared with that obtained using a both commercial s-lens interface and a in-line dual ion funnel interface.« less

  15. Electrons in a positive-ion beam with solenoid or quadrupole magnetic transport

    SciTech Connect

    Molvik, A.W.; Kireeff Covo, M.; Cohen, R.; Coleman, J.; Sharp, W.; Bieniosek, F.; Friedman, A.; Roy, P.K.; Seidl, P.; Lund, S.M.; Faltens, A.; Vay, J.L.; Prost, L.

    2007-06-04

    The High Current Experiment (HCX) is used to study beam transport and accumulation of electrons in quadrupole magnets and the Neutralized Drift-Compression Experiment (NDCX) to study beam transport through and accumulation of electrons in magnetic solenoids. We find that both clearing and suppressor electrodes perform as intended, enabling electron cloud densities to be minimized. Then, the measured beam envelopes in both quadrupoles and solenoids agree with simulations, indicating that theoretical beam current transport limits are reliable, in the absence of electrons. At the other extreme, reversing electrode biases with the solenoid transport effectively traps electrons; or, in quadrupole magnets, grounding the suppressor electrode allows electron emission from the end wall to flood the beam, in both cases producing significant degradation in the beam.

  16. Electrons in a Positive-Ion Beam with Solenoid or Quadrupole Magnet Transport

    SciTech Connect

    Molvik, A W; Cohen, R H; Friedman, A; Covo, M K; Lund, S M; Sharp, W M; Seidl, P A; Bieniosek, F M; Coleman, J E; Faltens, A; Roy, P K; Vay, J L; Prost, L

    2007-06-01

    The High Current Experiment (HCX) is used to study beam transport and accumulation of electrons in quadrupole magnets and the Neutralized Drift-Compression Experiment (NDCX) to study beam transport through and accumulation of electrons in magnetic solenoids. We find that both clearing and suppressor electrodes perform as intended, enabling electron cloud densities to be minimized. Then, the measured beam envelopes in both quadrupoles and solenoids agree with simulations, indicating that theoretical beam current transport limits are reliable, in the absence of electrons. At the other extreme, reversing electrode biases with the solenoid transport effectively traps electrons; or, in quadrupole magnets, grounding the suppressor electrode allows electron emission from the end wall to flood the beam, in both cases producing significant degradation in the beam.

  17. Modified ion source triple quadrupole mass spectrometer gas chromatograph for polycyclic aromatic hydrocarbon analyses

    PubMed Central

    Anderson, Kim A.; Szelewski, Michael J.; Wilson, Glenn; Quimby, Bruce D.; Hoffman, Peter D.

    2015-01-01

    We describe modified gas chromatography electron-impact/triple-quadrupole mass spectrometry (GC–EI/MS/MS) utilizing a newly developed hydrogen-injected self-cleaning ion source and modified 9 mm extractor lens. This instrument, with optimized parameters, achieves quantitative separation of 62 polycyclic aromatic hydrocarbons (PAHs). Existing methods historically limited rigorous identification and quantification to a small subset, such as the 16 PAHs the US EPA has defined as priority pollutants. Without the critical source and extractor lens modifications, the off-the-shelf GC–EI/MS/MS system was unsuitable for complex PAH analysis. Separations were enhanced by increased gas flow, a complex GC temperature profile incorporating multiple isothermal periods, specific ramp rates, and a PAH-optimized column. Typical determinations with our refined GC–EI/MS/MS have a large linear range of 1–10,000 pg μl−1 and detection limits of <2 pg μl−1. Included in the 62 PAHs, multiple-reaction-monitoring (MRM) mode enabled GC-EI/MS/MS identification and quantitation of several constituents of the MW 302 PAHs isomers. Using calibration standards, values determined were within 5% of true values over many months. Standard curve r2 values were typically >0.998, exceptional for compounds which are archetypally difficult. With this method benzo[a]fluorene, benzo[b]fluorene, benzo[c]fluorene were fully separated as was benzo[b]fluoranthene, benzo[k]fluoranthene, and benzo[j]fluoranthene. Chrysene and triphenylene, were sufficiently separated to allow accurate quantitation. Mean limits of detection (LODs) across all PAHs were 1.02 ± 0.84 pg μl−1 with indeno[1,2,3-c,d] pyrene having the lowest LOD at 0.26 pg μl−1 and only two analytes above 2.0 pg μl−1; acenaphthalene (2.33 pg μl−1) and dibenzo[a,e]pyrene (6.44 pg μl−1). PMID:26454790

  18. Development of a quadrupole-based Secondary-Ion Mass Spectrometry (SIMS) system at Lewis Research Center

    NASA Technical Reports Server (NTRS)

    Vargas-Aburto, Carlos; Aron, Paul R.; Liff, Dale R.

    1990-01-01

    The design, construction, and initial use of an ion microprobe to carry out secondary ion mass spectrometry (SIMS) of solid samples is reported. The system is composed of a differentially pumped custom-made UHV (Ultra High Vacuum) chamber, a quadrupole mass spectrometer and a telefocus A-DIDA ion gun with the capability of producing beams of Cesium, as well as inert and reactive gases. The computer control and acquisition of the data were designed and implemented using a personal computer with plug-in boards, and external circuitry built as required to suit the system needs. The software is being developed by using a FORTH-like language. Initial tests aimed at characterizing the system, as well as preliminary surface and depth-profiling studies are presently underway.

  19. Phase locking of the rotation of a graphene nanoplatelet to an RF electric field in a quadrupole ion trap

    NASA Astrophysics Data System (ADS)

    Coppock, Joyce E.; Nagornykh, Pavel; Murphy, Jacob P. J.; Kane, Bruce E.

    2016-09-01

    Particle trapping technologies provide the opportunity to study two-dimensional materials that are fully decoupled from substrates. We investigate the dynamics of a rotating micron-scale graphene particle that is levitated in high vacuum in a quadrupole ion trap and probed via optical scattering. The particle is spun to frequencies ranging from hundreds of kHz to above 50 MHz using a circularly polarized laser. We observe phase locking of particle rotation frequency to an applied RF electric field. The rotation frequency can be adjusted by changing the applied field frequency. We discuss prospects for measurements of particle properties enabled by this technique.

  20. Advanced quadrupole ion trap instrumentation for low level vehicle emissions measurements. CRADA final report for number ORNL93-0238

    SciTech Connect

    McLuckey, S.A.; Buchanan, M.V.; Asano, K.G.; Hart, K.J.; Goeringer, D.E.; Dearth, M.A.

    1997-09-01

    Quadrupole ion trap mass spectrometry has been evaluated for its potential use in vehicle emissions measurements in vehicle test facilities as an analyzer for the top 15 compounds contributing to smog generation. A variety of ionization methods were explored including ion trap in situ chemical ionization, atmospheric sampling glow discharge ionization, and nitric oxide chemical ionization in a glow discharge ionization source coupled with anion trap mass spectrometer. Emphasis was placed on the determination of hydrocarbons and oxygenated hydrocarbons at parts per million to parts per billion levels. Ion trap in situ water chemical ionization and atmospheric sampling glow discharge ionization were both shown to be amenable to the analysis of arenes, alcohols, aldehydes and, to some degree, alkenes. Atmospheric sampling glow discharge also generated molecular ions of methyl-t-butyl ether (MTBE). Neither of these ionization methods, however, were found to generate diagnostic ions for the alkanes. Nitric oxide chemical ionization, on the other hand, was found to yield diagnostic ions for alkanes, alkenes, arenes, alcohols, aldehydes, and MTBE. The ability to measure a variety of hydrocarbons present at roughly 15 parts per billion at measurement rates of 3 Hz was demonstrated. These results have demonstrated that the ion trap has an excellent combination of sensitivity, specificity, speed, and flexibility with respect to the technical requirements of the top 15 analyzer.

  1. Storage rings for investigation of ion-atom collisions

    SciTech Connect

    Schuch, R.

    1987-08-01

    In this survey, we give a brief description of synchrotron storage rings for heavy ions, and examples for their use in ion-atom collision physics. The compression of the phase space distribution of the ions by electron cooling, and the gain factors of in-ring experiments compared to single-pass experiments are explained. Some examples of a new generation of ion-atom collision experiments which may become feasible with storage rings are given. These include the studies of angular differential single- and double-electron capture cross sections, the production of slow highly charged recoil ions, and atomic collision processes using decelerated and crossed beam. 30 refs.

  2. The direct injection of intense ion beams from a high field electron cyclotron resonance ion source into a radio frequency quadrupole

    SciTech Connect

    Rodrigues, G. Kanjilal, D.; Roy, A.; Becker, R.; Baskaran, R.

    2014-02-15

    The ion current achievable from high intensity ECR sources for highly charged ions is limited by the high space charge. This makes classical extraction systems for the transport and subsequent matching to a radio frequency quadrupole (RFQ) accelerator less efficient. The direct plasma injection (DPI) method developed originally for the laser ion source avoids these problems and uses the combined focusing of the gap between the ion source and the RFQ vanes (or rods) and the focusing of the rf fields from the RFQ penetrating into this gap. For high performance ECR sources that use superconducting solenoids, the stray magnetic field of the source in addition to the DPI scheme provides focusing against the space charge blow-up of the beam. A combined extraction/matching system has been designed for a high performance ECR ion source injecting into an RFQ, allowing a total beam current of 10 mA from the ion source for the production of highly charged {sup 238}U{sup 40+} (1.33 mA) to be injected at an ion source voltage of 60 kV. In this design, the features of IGUN have been used to take into account the rf-focusing of an RFQ channel (without modulation), the electrostatic field between ion source extraction and the RFQ vanes, the magnetic stray field of the ECR superconducting solenoid, and the defocusing space charge of an ion beam. The stray magnetic field is shown to be critical in the case of a matched beam.

  3. The direct injection of intense ion beams from a high field electron cyclotron resonance ion source into a radio frequency quadrupole

    NASA Astrophysics Data System (ADS)

    Rodrigues, G.; Becker, R.; Hamm, R. W.; Baskaran, R.; Kanjilal, D.; Roy, A.

    2014-02-01

    The ion current achievable from high intensity ECR sources for highly charged ions is limited by the high space charge. This makes classical extraction systems for the transport and subsequent matching to a radio frequency quadrupole (RFQ) accelerator less efficient. The direct plasma injection (DPI) method developed originally for the laser ion source avoids these problems and uses the combined focusing of the gap between the ion source and the RFQ vanes (or rods) and the focusing of the rf fields from the RFQ penetrating into this gap. For high performance ECR sources that use superconducting solenoids, the stray magnetic field of the source in addition to the DPI scheme provides focusing against the space charge blow-up of the beam. A combined extraction/matching system has been designed for a high performance ECR ion source injecting into an RFQ, allowing a total beam current of 10 mA from the ion source for the production of highly charged 238U40+ (1.33 mA) to be injected at an ion source voltage of 60 kV. In this design, the features of IGUN have been used to take into account the rf-focusing of an RFQ channel (without modulation), the electrostatic field between ion source extraction and the RFQ vanes, the magnetic stray field of the ECR superconducting solenoid, and the defocusing space charge of an ion beam. The stray magnetic field is shown to be critical in the case of a matched beam.

  4. The direct injection of intense ion beams from a high field electron cyclotron resonance ion source into a radio frequency quadrupole.

    PubMed

    Rodrigues, G; Becker, R; Hamm, R W; Baskaran, R; Kanjilal, D; Roy, A

    2014-02-01

    The ion current achievable from high intensity ECR sources for highly charged ions is limited by the high space charge. This makes classical extraction systems for the transport and subsequent matching to a radio frequency quadrupole (RFQ) accelerator less efficient. The direct plasma injection (DPI) method developed originally for the laser ion source avoids these problems and uses the combined focusing of the gap between the ion source and the RFQ vanes (or rods) and the focusing of the rf fields from the RFQ penetrating into this gap. For high performance ECR sources that use superconducting solenoids, the stray magnetic field of the source in addition to the DPI scheme provides focusing against the space charge blow-up of the beam. A combined extraction/matching system has been designed for a high performance ECR ion source injecting into an RFQ, allowing a total beam current of 10 mA from the ion source for the production of highly charged (238)U(40+) (1.33 mA) to be injected at an ion source voltage of 60 kV. In this design, the features of IGUN have been used to take into account the rf-focusing of an RFQ channel (without modulation), the electrostatic field between ion source extraction and the RFQ vanes, the magnetic stray field of the ECR superconducting solenoid, and the defocusing space charge of an ion beam. The stray magnetic field is shown to be critical in the case of a matched beam.

  5. Direct Determination of the Magnetic Quadrupole Contribution to the Lyman-{alpha}{sub 1} Transition in a Hydrogenlike Ion

    SciTech Connect

    Weber, G.; Stoehlker, Th.; Braeuning, H.; Hess, S.; Kozhuharov, C.; Spillmann, U.; Surzhykov, A.; Maertin, R.; Winters, D. F. A.; Brandau, C.; Fritzsche, S.; Geyer, S.; Hagmann, S.; Petridis, N.; Reuschl, R.; Trotsenko, S.

    2010-12-10

    We report the observation of an interference between the electric dipole (E1) and the magnetic quadrupole (M2) amplitudes for the linear polarization of the Ly-{alpha}{sub 1} (2p{sub 3/2}{yields}1s{sub 1/2}) radiation of hydrogenlike uranium. This multipole mixing arises from the coupling of the ion to different multipole components of the radiation field. Our observation indicates a significant depolarization of the Ly-{alpha}{sub 1} radiation due to the E1-M2 amplitude mixing. It proves that a combined measurement of the linear polarization and of the angular distribution enables a very precise determination of the ratio of the E1 and the M2 transition amplitudes and the corresponding transition rates without any assumptions concerning the population mechanism for the 2p{sub 3/2} state.

  6. Profiling the indole alkaloids in yohimbe bark with ultra-performance liquid chromatography coupled with ion mobility quadrupole time-of-flight mass spectrometry

    Technology Transfer Automated Retrieval System (TEKTRAN)

    An ultra-high performance liquid chromatography-ion mobility- quadrupole time-of-flight mass spectrometry (UHPLC-IM-QTOF-MS) method was developed for profiling the indole alkaloids in yohimbe bark. Many indole alkaloids with the yohimbine core structure, plus methylated, oxidized, and reduced speci...

  7. Sodium-Ion Storage in Pyroprotein-Based Carbon Nanoplates.

    PubMed

    Yun, Young Soo; Park, Kyu-Young; Lee, Byoungju; Cho, Se Youn; Park, Young-Uk; Hong, Sung Ju; Kim, Byung Hoon; Gwon, Hyeokjo; Kim, Haegyeom; Lee, Sungho; Park, Yung Woo; Jin, Hyoung-Joon; Kang, Kisuk

    2015-11-18

    Pyroprotein-based carbon nanoplates are fabricated from self-assembled silk proteins as a versatile platform to examine sodium-ion storage characteristics in various carbon environments. It is found that, depending on the local carbon structure, sodium ions are stored via chemi-/physisorption, insertion, or nanoclustering of metallic sodium.

  8. Analysis of high mass-to-charge ions in a quadrupole ion trap mass spectrometer via an end-cap quadrupolar direct current downscan.

    PubMed

    Prentice, Boone M; McLuckey, Scott A

    2012-09-04

    A method for performing mass-selective instability analysis in a three-dimensional (3-D) quadrupole ion trap is described that involves scanning a direct current (dc) voltage applied to the end-cap electrodes while holding the radio frequency (rf) potential at a fixed value. Rather than eject at the ß(z) = 1 instability line by ramping the amplitude of the drive rf potential applied to the ring electrode, as with the original mass-selective instability scan, this approach effects ion ejection along the ß(z) = 0 instability line in a process identical in principle (though it varies in its method of implementation) to the previously termed "downscan" ( Todd , J. F. J. ; Penman , A. D. ; Smith , R. D. Int. J. Mass Spectrom. Ion Processes 1991 , 106 , 117 - 135 ). A linear scan of the dc amplitude results in a nonlinear mass scale, unlike the conventional resonance ejection scan with a linear scan of the rf amplitude, and the ejection of ions in the direction of high mass-to-charge (m/z) to low m/z. However, the downscan offers some advantages over the traditional rf scan for ions of high m/z values. These include a larger scannable mass range, as well as the opportunity for improved resolution at high mass. These characteristics are demonstrated with ions of m/z 10(4)-10(5).

  9. Real-Time Quantitative Analysis of H2, He, O2, and Ar by Quadrupole Ion Trap Mass Spectrometry

    NASA Technical Reports Server (NTRS)

    Ottens, Andrew K.; Harrison, W. W.; Griffin, Timothy P.; Helms, William R.; Voska, N. (Technical Monitor)

    2002-01-01

    The use of a quadrupole ion trap mass spectrometer for quantitative analysis of hydrogen and helium as well as other permanent gases is demonstrated. The customized instrument utilizes the mass selective instability mode of mass analysis as with commercial instruments; however, this instrument operates at a greater RF trapping frequency and without a buffer gas. With these differences, a useable mass range from 2 to over 50 Da is achieved, as required by NASA for monitoring the Space Shuttle during a launch countdown. The performance of the ion trap is evaluated using part-per-million concentrations of hydrogen, helium, oxygen and argon mixed into a nitrogen gas stream. Relative accuracy and precision when quantitating the four analytes were better than the NASA-required minimum of 10% error and 5% deviation, respectively. Limits of detection were below the NASA requirement of 25-ppm hydrogen and 100-ppm helium; those for oxygen and argon were slightly higher than the requirement. The instrument provided adequate performance at fast data recording rates, demonstrating the utility of an ion trap mass spectrometer as a real-time quantitative monitoring device for permanent gas analysis.

  10. Surface-induced dissociation of ion mobility-separated noncovalent complexes in a quadrupole/time-of-flight mass spectrometer.

    PubMed

    Zhou, Mowei; Huang, Chengsi; Wysocki, Vicki H

    2012-07-17

    A custom in-line surface-induced dissociation (SID) device has been incorporated into a commercial ion mobility quadrupole/time-of-flight mass spectrometer in order to provide an alternative and potentially more informative activation method than the commonly used collision-induced dissociation (CID). Complicated sample mixtures can be fractionated by ion mobility (IM) and then dissociated by CID or SID for further structural analysis. Interpretation of SID spectra for cesium iodide clusters was greatly simplified with IM prior to dissociation because products originating from different precursors and overlapping in m/z but separated in drift time can be examined individually. Multiple conformations of two protein complexes, source-activated transthyretin tetramer and nativelike serum amyloid P decamer, were separated in ion mobility and subjected to CID and SID. CID spectra of the mobility separated conformations are similar. However, drastic differences can be observed for SID spectra of different conformations, implying different structures in the gas phase. This work highlights the potential of utilizing IM-SID to study quaternary structures of protein complexes and provides information that is complementary to our recently reported SID-IM approach.

  11. High-cooling-efficiency cryogenic quadrupole ion trap and UV-UV hole burning spectroscopy of protonated tyrosine

    NASA Astrophysics Data System (ADS)

    Ishiuchi, Shun-ichi; Wako, Hiromichi; Kato, Daichi; Fujii, Masaaki

    2017-02-01

    The cooling efficiency of a cryogenic three-dimensional quadrupole ion trap (QIT) is drastically improved by using copper electrodes instead of conventional stainless-steel ones. The temperature of trapped ions (protonated tyrosine TyrH+) was estimated based on the ultraviolet (UV) photo-dissociation spectra. The UV spectrum of TryH+ shows almost no hot bands, and thus the high cooling efficiency of the copper ion trap was proven. The temperature was also estimated by simulating the observed band contour in the UV spectra, which is determined by the population in the rotationally excited levels. From the simulations, the temperature of TryH+ was estimated to be ∼13 K, while that in the stainless-steel QIT was 45-50 K. In addition, to demonstrate the advantage of the copper QIT, UV-UV hole burning (HB) spectra, i.e. conformation-selected UV spectra, were measured. It was confirmed that four different conformers, A∼D, coexist in the ultra-cold protonated tyrosine. By comparing with the calculated Franck-Condon spectra, their structural assignments were discussed, including the orientation of the OH group.

  12. Development and Evaluation of a Variable-Temperature Quadrupole Ion Trap Mass Spectrometer

    NASA Astrophysics Data System (ADS)

    Derkits, David; Wiseman, Alex; Snead, Russell F.; Dows, Martina; Harge, Jasmine; Lamp, Jared A.; Gronert, Scott

    2016-02-01

    A new, variable-temperature mass spectrometer system is described. By applying polyimide heating tape to the end-cap electrodes of a Bruker (Bremen, Germany) Esquire ion trap, it is possible to vary the effective temperature of the system between 40 and 100°C. The modification does not impact the operation of the ion trap and the heater can be used for extended periods without degradation of the system. The accuracy of the ion trap temperatures was assessed by examining two gas-phase equilibrium processes with known thermochemistry. In each case, the variable-temperature ion trap provided data that were in good accord with literature data, indicating the effective temperature in the ion trap environment was being successfully modulated by the changes in the set-point temperatures on the end-cap electrodes. The new design offers a convenient and effective way to convert commercial ion trap mass spectrometers into variable-temperature instruments.

  13. Characterization of TATP gas phase product ion chemistry via isotope labeling experiments using ion mobility spectrometry interfaced with a triple quadrupole mass spectrometer.

    PubMed

    Tomlinson-Phillips, Jill; Wooten, Alfred; Kozole, Joseph; Deline, James; Beresford, Pamela; Stairs, Jason

    2014-09-01

    Identification of the fragment ion species associated with the ion reaction mechanism of triacetone triperoxide (TATP), a homemade peroxide-based explosive, is presented. Ion mobility spectrometry (IMS) has proven to be a key analytical technique in the detection of trace explosive material. Unfortunately, IMS alone does not provide chemical identification of the ions detected; therefore, it is unknown what ion species are actually formed and separated by the IMS. In IMS, ions are primarily characterized by their drift time, which is dependent on the ion׳s mass and molecular cross-section; thus, IMS as a standalone technique does not provide structural signatures, which is in sharp contrast to the chemical and molecular information that is generally obtained from other customary analytical techniques, such as NMR, Raman and IR spectroscopy and mass spectrometry. To help study the ion chemistry that gives rise to the peaks observed in IMS, the hardware of two different commercial IMS instruments has been directly coupled to triple quadrupole (QQQ) mass spectrometers, in order to ascertain each ion׳s corresponding mass/charge (m/z) ratios with different dopants at two temperatures. Isotope labeling was then used to help identify and confirm the molecular identity of the explosive fragment and adduct ions of TATP. The m/z values and isotope labeling experiments were used to help propose probable molecular formulas for the ion fragments. In this report, the fragment and adduct ions m/z 58 and 240 of TATP have been confirmed to be [C3H6NH·H](+) and [TATP·NH4](+), respectively; while the fragment ions m/z 73 and 89 of TATP are identified as having the molecular formulas [C4H9NH2](+) and [C4H9O2](+), respectively. It is anticipated that the work in this area will not only help to facilitate improvements in mobility-based detection (IMS and MS), but also aid in the development and optimization of MS-based detection algorithms for TATP.

  14. Rechargeable dual-metal-ion batteries for advanced energy storage.

    PubMed

    Yao, Hu-Rong; You, Ya; Yin, Ya-Xia; Wan, Li-Jun; Guo, Yu-Guo

    2016-04-14

    Energy storage devices are more important today than any time before in human history due to the increasing demand for clean and sustainable energy. Rechargeable batteries are emerging as the most efficient energy storage technology for a wide range of portable devices, grids and electronic vehicles. Future generations of batteries are required to have high gravimetric and volumetric energy, high power density, low price, long cycle life, high safety and low self-discharge properties. However, it is quite challenging to achieve the above properties simultaneously in state-of-the-art single metal ion batteries (e.g. Li-ion batteries, Na-ion batteries and Mg-ion batteries). In this contribution, hybrid-ion batteries in which various metal ions simultaneously engage to store energy are shown to provide a new perspective towards advanced energy storage: by connecting the respective advantages of different metal ion batteries they have recently attracted widespread attention due to their novel performances. The properties of hybrid-ion batteries are not simply the superposition of the performances of single ion batteries. To enable a distinct description, we only focus on dual-metal-ion batteries in this article, for which the design and the benefits are briefly discussed. We enumerate some new results about dual-metal-ion batteries and demonstrate the mechanism for improving performance based on knowledge from the literature and experiments. Although the search for hybrid-ion batteries is still at an early age, we believe that this strategy would be an excellent choice for breaking the inherent disadvantages of single ion batteries in the near future.

  15. A Generic Multiple Reaction Monitoring Based Approach for Plant Flavonoids Profiling Using a Triple Quadrupole Linear Ion Trap Mass Spectrometry

    NASA Astrophysics Data System (ADS)

    Yan, Zhixiang; Lin, Ge; Ye, Yang; Wang, Yitao; Yan, Ru

    2014-06-01

    Flavonoids are one of the largest classes of plant secondary metabolites serving a variety of functions in plants and associating with a number of health benefits for humans. Typically, they are co-identified with many other secondary metabolites using untargeted metabolomics. The limited data quality of untargeted workflow calls for a shift from the breadth-first to the depth-first screening strategy when a specific biosynthetic pathway is focused on. Here we introduce a generic multiple reaction monitoring (MRM)-based approach for flavonoids profiling in plants using a hybrid triple quadrupole linear ion trap (QTrap) mass spectrometer. The approach includes four steps: (1) preliminary profiling of major aglycones by multiple ion monitoring triggered enhanced product ion scan (MIM-EPI); (2) glycones profiling by precursor ion triggered EPI scan (PI-EPI) of major aglycones; (3) comprehensive aglycones profiling by combining MIM-EPI and neutral loss triggered EPI scan (NL-EPI) of major glycone; (4) in-depth flavonoids profiling by MRM-EPI with elaborated MRM transitions. Particularly, incorporation of the NH3 loss and sugar elimination proved to be very informative and confirmative for flavonoids screening. This approach was applied for profiling flavonoids in Astragali radix ( Huangqi), a famous herb widely used for medicinal and nutritional purposes in China. In total, 421 flavonoids were tentatively characterized, among which less than 40 have been previously reported in this medicinal plant. This MRM-based approach provides versatility and sensitivity that required for flavonoids profiling in plants and serves as a useful tool for plant metabolomics.

  16. A frequency and amplitude scanned quadrupole mass filter for the analysis of high m/z ions

    SciTech Connect

    Shinholt, Deven L.; Anthony, Staci N.; Alexander, Andrew W.; Draper, Benjamin E.; Jarrold, Martin F.

    2014-11-15

    Quadrupole mass filters (QMFs) are usually not used to analyze high m/z ions, due to the low frequency resonant circuit that is required to drive them. Here we describe a new approach to generating waveforms for QMFs. Instead of scanning the amplitude of a sine wave to measure the m/z spectrum, the frequency of a trapezoidal wave is digitally scanned. A synchronous, narrow-range (<0.2%) amplitude scan overlays the frequency scan to improve the sampling resolution. Because the frequency is the primary quantity that is scanned, there is, in principle, no upper m/z limit. The frequency signal is constructed from a stabilized base clock using a field programmable gate array. This signal drives integrating amplifiers which generate the trapezoidal waves. For a trapezoidal wave the harmonics can be minimized by selecting the appropriate rise and fall times. To achieve a high resolving power, the digital signal has low jitter, and the trapezoidal waveform is generated with high fidelity. The QMF was characterized with cesium iodide clusters. Singly and multiply charged clusters with z up to +5 were observed. A resolving power of ∼1200 (FWHM) was demonstrated over a broad m/z range. Resolution was lost above 20 000 Th, partly because of congestion due to overlapping multiply charged clusters. Ions were observed for m/z values well in excess of 150 000 Th.

  17. Quantitation of isobaric phosphatidylcholine species in human plasma using a hybrid quadrupole linear ion-trap mass spectrometer.

    PubMed

    Zacek, Petr; Bukowski, Michael; Rosenberger, Thad A; Picklo, Matthew

    2016-12-01

    Phosphatidylcholine (PC) species in human plasma are used as biomarkers of disease. PC biomarkers are often limited by the inability to separate isobaric PCs. In this work, we developed a targeted shotgun approach for analysis of isobaric and isomeric PCs. This approach is comprised of two MS methods: a precursor ion scanning (PIS) of mass m/z 184 in positive mode (PIS m/z +184) and MS(3) fragmentation in negative mode, both performed on the same instrument, a hybrid triple quadrupole ion-trap mass spectrometer. The MS(3) experiment identified the FA composition and the relative abundance of isobaric and sn-1, sn-2 positional isomeric PC species, which were subsequently combined with absolute quantitative data obtained by PIS m/z +184 scan. This approach was applied to the analysis of a National Institute of Standards and Technology human blood plasma standard reference material (SRM 1950). We quantified more than 70 PCs and confirmed that a majority are present in isobaric and isomeric mixtures. The FA content determined by this method was comparable to that obtained using GC with flame ionization detection, supporting the quantitative nature of this MS method. This methodology will provide more in-depth biomarker information for clinical and mechanistic studies.

  18. Quantitation of isobaric phosphatidylcholine species in human plasma using a hybrid quadrupole linear ion-trap mass spectrometer[S

    PubMed Central

    Zacek, Petr; Bukowski, Michael; Rosenberger, Thad A.; Picklo, Matthew

    2016-01-01

    Phosphatidylcholine (PC) species in human plasma are used as biomarkers of disease. PC biomarkers are often limited by the inability to separate isobaric PCs. In this work, we developed a targeted shotgun approach for analysis of isobaric and isomeric PCs. This approach is comprised of two MS methods: a precursor ion scanning (PIS) of mass m/z 184 in positive mode (PIS m/z +184) and MS3 fragmentation in negative mode, both performed on the same instrument, a hybrid triple quadrupole ion-trap mass spectrometer. The MS3 experiment identified the FA composition and the relative abundance of isobaric and sn-1, sn-2 positional isomeric PC species, which were subsequently combined with absolute quantitative data obtained by PIS m/z +184 scan. This approach was applied to the analysis of a National Institute of Standards and Technology human blood plasma standard reference material (SRM 1950). We quantified more than 70 PCs and confirmed that a majority are present in isobaric and isomeric mixtures. The FA content determined by this method was comparable to that obtained using GC with flame ionization detection, supporting the quantitative nature of this MS method. This methodology will provide more in-depth biomarker information for clinical and mechanistic studies. PMID:27688258

  19. Secondary batteries with multivalent ions for energy storage.

    PubMed

    Xu, Chengjun; Chen, Yanyi; Shi, Shan; Li, Jia; Kang, Feiyu; Su, Dangsheng

    2015-09-14

    The use of electricity generated from clean and renewable sources, such as water, wind, or sunlight, requires efficiently distributed electrical energy storage by high-power and high-energy secondary batteries using abundant, low-cost materials in sustainable processes. American Science Policy Reports state that the next-generation "beyond-lithium" battery chemistry is one feasible solution for such goals. Here we discover new "multivalent ion" battery chemistry beyond lithium battery chemistry. Through theoretic calculation and experiment confirmation, stable thermodynamics and fast kinetics are presented during the storage of multivalent ions (Ni(2+), Zn(2+), Mg(2+), Ca(2+), Ba(2+), or La(3+) ions) in alpha type manganese dioxide. Apart from zinc ion battery, we further use multivalent Ni(2+) ion to invent another rechargeable battery, named as nickel ion battery for the first time. The nickel ion battery generally uses an alpha type manganese dioxide cathode, an electrolyte containing Ni(2+) ions, and Ni anode. The nickel ion battery delivers a high energy density (340 Wh kg(-1), close to lithium ion batteries), fast charge ability (1 minute), and long cycle life (over 2200 times).

  20. Evidences for isochronous behavior in electron and ion storage for a low energy electrostatic storage ring

    NASA Astrophysics Data System (ADS)

    Spanjers, T. L.; Sullivan, M. R.; Reddish, T. J.; Hammond, P.

    2014-02-01

    The temporal width of a stored bunch of low energy (~30 eV) electrons circulating in desk-top sized passive electrostatic storage ring has been observed to be unchanging with orbit number. The storage ring has been operated with a range of asymmetric voltages for both stored electron and ion bunches with a particular focus on controllably probing the edges of stable storage regions to explore variations in the temporal widths as a function of storage time. For electron storage an operating condition is identified in which the temporal width approaches a constant value after a period of increase - isochronous behavior. Measurements using stored ions indicate similar behavior can be achieved. Possible mechanisms for the observed behavior are discussed.

  1. Enhanced lithium ion storage in nanoimprinted carbon

    SciTech Connect

    Wang, Peiqi; Chen, Qian Nataly; Li, Jiangyu; Xie, Shuhong; Liu, Xiaoyan

    2015-07-27

    Disordered carbons processed from polymers have much higher theoretical capacity as lithium ion battery anode than graphite, but they suffer from large irreversible capacity loss and have poor cyclic performance. Here, a simple process to obtain patterned carbon structure from polyvinylpyrrolidone was demonstrated, combining nanoimprint lithography for patterning and three-step heat treatment process for carbonization. The patterned carbon, without any additional binders or conductive fillers, shows remarkably improved cycling performance as Li-ion battery anode, twice as high as the theoretical value of graphite at 98 cycles. Localized electrochemical strain microscopy reveals the enhanced lithium ion activity at the nanoscale, and the control experiments suggest that the enhancement largely originates from the patterned structure, which improves surface reaction while it helps relieving the internal stress during lithium insertion and extraction. This study provides insight on fabricating patterned carbon architecture by rational design for enhanced electrochemical performance.

  2. Secondary batteries with multivalent ions for energy storage

    NASA Astrophysics Data System (ADS)

    Xu, Chengjun; Chen, Yanyi; Shi, Shan; Li, Jia; Kang, Feiyu; Su, Dangsheng

    2015-09-01

    The use of electricity generated from clean and renewable sources, such as water, wind, or sunlight, requires efficiently distributed electrical energy storage by high-power and high-energy secondary batteries using abundant, low-cost materials in sustainable processes. American Science Policy Reports state that the next-generation “beyond-lithium” battery chemistry is one feasible solution for such goals. Here we discover new “multivalent ion” battery chemistry beyond lithium battery chemistry. Through theoretic calculation and experiment confirmation, stable thermodynamics and fast kinetics are presented during the storage of multivalent ions (Ni2+, Zn2+, Mg2+, Ca2+, Ba2+, or La3+ ions) in alpha type manganese dioxide. Apart from zinc ion battery, we further use multivalent Ni2+ ion to invent another rechargeable battery, named as nickel ion battery for the first time. The nickel ion battery generally uses an alpha type manganese dioxide cathode, an electrolyte containing Ni2+ ions, and Ni anode. The nickel ion battery delivers a high energy density (340 Wh kg-1, close to lithium ion batteries), fast charge ability (1 minute), and long cycle life (over 2200 times).

  3. Secondary batteries with multivalent ions for energy storage

    PubMed Central

    Xu, Chengjun; Chen, Yanyi; Shi, Shan; Li, Jia; Kang, Feiyu; Su, Dangsheng

    2015-01-01

    The use of electricity generated from clean and renewable sources, such as water, wind, or sunlight, requires efficiently distributed electrical energy storage by high-power and high-energy secondary batteries using abundant, low-cost materials in sustainable processes. American Science Policy Reports state that the next-generation “beyond-lithium” battery chemistry is one feasible solution for such goals. Here we discover new “multivalent ion” battery chemistry beyond lithium battery chemistry. Through theoretic calculation and experiment confirmation, stable thermodynamics and fast kinetics are presented during the storage of multivalent ions (Ni2+, Zn2+, Mg2+, Ca2+, Ba2+, or La3+ ions) in alpha type manganese dioxide. Apart from zinc ion battery, we further use multivalent Ni2+ ion to invent another rechargeable battery, named as nickel ion battery for the first time. The nickel ion battery generally uses an alpha type manganese dioxide cathode, an electrolyte containing Ni2+ ions, and Ni anode. The nickel ion battery delivers a high energy density (340 Wh kg−1, close to lithium ion batteries), fast charge ability (1 minute), and long cycle life (over 2200 times). PMID:26365600

  4. Comprehensive Lipidome Analysis by Shotgun Lipidomics on a Hybrid Quadrupole-Orbitrap-Linear Ion Trap Mass Spectrometer

    NASA Astrophysics Data System (ADS)

    Almeida, Reinaldo; Pauling, Josch Konstantin; Sokol, Elena; Hannibal-Bach, Hans Kristian; Ejsing, Christer S.

    2015-01-01

    Here we report on the application of a novel shotgun lipidomics platform featuring an Orbitrap Fusion mass spectrometer equipped with an automated nanoelectrospray ion source. To assess the performance of the platform for in-depth lipidome analysis, we evaluated various instrument parameters, including its high resolution power unsurpassed by any other contemporary Orbitrap instrumentation, its dynamic quantification range and its efficacy for in-depth structural characterization of molecular lipid species by quadrupole-based higher-energy collisional dissociation (HCD), and ion trap-based resonant-excitation collision-induced dissociation (CID). This evaluation demonstrated that FTMS analysis with a resolution setting of 450,000 allows distinguishing isotopes from different lipid species and features a linear dynamic quantification range of at least four orders of magnitude. Evaluation of fragmentation analysis demonstrated that combined use of HCD and CID yields complementary fragment ions of molecular lipid species. To support global lipidome analysis, we designed a method, termed MSALL, featuring high resolution FTMS analysis for lipid quantification, and FTMS2 analysis using both HCD and CID and ITMS3 analysis utilizing dual CID for in-depth structural characterization of molecular glycerophospholipid species. The performance of the MSALL method was benchmarked in a comparative analysis of mouse cerebellum and hippocampus. This analysis demonstrated extensive lipidome quantification covering 311 lipid species encompassing 20 lipid classes, and identification of 202 distinct molecular glycerophospholipid species when applying a novel high confidence filtering strategy. The work presented here validates the performance of the Orbitrap Fusion mass spectrometer for in-depth lipidome analysis.

  5. Comprehensive lipidome analysis by shotgun lipidomics on a hybrid quadrupole-orbitrap-linear ion trap mass spectrometer.

    PubMed

    Almeida, Reinaldo; Pauling, Josch Konstantin; Sokol, Elena; Hannibal-Bach, Hans Kristian; Ejsing, Christer S

    2015-01-01

    Here we report on the application of a novel shotgun lipidomics platform featuring an Orbitrap Fusion mass spectrometer equipped with an automated nanoelectrospray ion source. To assess the performance of the platform for in-depth lipidome analysis, we evaluated various instrument parameters, including its high resolution power unsurpassed by any other contemporary Orbitrap instrumentation, its dynamic quantification range and its efficacy for in-depth structural characterization of molecular lipid species by quadrupole-based higher-energy collisional dissociation (HCD), and ion trap-based resonant-excitation collision-induced dissociation (CID). This evaluation demonstrated that FTMS analysis with a resolution setting of 450,000 allows distinguishing isotopes from different lipid species and features a linear dynamic quantification range of at least four orders of magnitude. Evaluation of fragmentation analysis demonstrated that combined use of HCD and CID yields complementary fragment ions of molecular lipid species. To support global lipidome analysis, we designed a method, termed MS(ALL), featuring high resolution FTMS analysis for lipid quantification, and FTMS(2) analysis using both HCD and CID and ITMS(3) analysis utilizing dual CID for in-depth structural characterization of molecular glycerophospholipid species. The performance of the MS(ALL) method was benchmarked in a comparative analysis of mouse cerebellum and hippocampus. This analysis demonstrated extensive lipidome quantification covering 311 lipid species encompassing 20 lipid classes, and identification of 202 distinct molecular glycerophospholipid species when applying a novel high confidence filtering strategy. The work presented here validates the performance of the Orbitrap Fusion mass spectrometer for in-depth lipidome analysis.

  6. Separation of polychlorinated dibenzo-p-dioxins/furans, non-ortho/mono/di/tri/tetra-ortho-polychlorinated biphenyls, and polybrominated diphenyl ethers groups of compounds prior to their determination with large volume injection gas chromatography-Quadrupole ion storage tandem mass spectrometry.

    PubMed

    Roszko, Marek; Szymczyk, Krystyna; Jędrzejczak, Renata

    2013-10-17

    Polychlorinated dibenzo-p-dioxins/furans (PCDD/Fs), polychlorinated biphenyls (PCBs) and polybrominated diphenyl ethers (PBDEs) are important environmental contaminants. Their maximum legally allowable levels in food and environment are in the low pg g(-1) range. Therefore some highly selective and sensitive analytical methods must be used to determine them. Prior to final determination by GC/MS the cleaned-up samples have to be split into some fractions in view of large differences in concentrations of various analytes and existence of numerous chromatographic co-elutions (which in any case cannot be fully avoided). The aim of this study was to: (i) develop a robust, time-saving analytical method to isolate, clean-up and fractionate PCBs, PBDEs and PCDD/Fs prior to their determination with gas chromatography/ion trap mass spectrometry; (ii) assess method performance using laboratory validation data and some certified reference materials; (iii) use the developed method to assess PCB/PBDE/PCDD/F levels in samples of commercially available food. A combination of alumina, florisil, modified silica gel and two carbon columns were used for sample cleanup and fractionation. Separate fractions containing dioxins/furans, PBDE, non-ortho, mono-ortho and di-/tri-/tetra-ortho PCBs were obtained. The method statistical parameters were compatible with 1883/2006 EC Regulation (80-120%, RSD below 15%). The method performance was successfully used to evaluation of some real life food samples.

  7. USING AN ACCURATE MASS, TRIPLE QUADRUPOLE MASS SPECTROMETER AND AN ION CORRELATION PROGRAM TO IDENTIFY COMPOUNDS

    EPA Science Inventory

    Most compounds are not found in mass spectral libraries and must be identified by other means. Often, compound identities can be deduced from the compositions of the ions in their mass spectra and review of the chemical literature. Confirmation is provided by mass spectra and r...

  8. Simultaneous Transmission Mode Collision-Induced Dissociation and Ion/Ion Reactions for Top-Down Protein Identification/Characterization Using a Quadrupole/Time-of-Flight Tandem Mass Spectrometer

    PubMed Central

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

    2009-01-01

    Simultaneous transmission mode collision-induced dissociation (CID) and ion/ion proton transfer reactions have been implemented on a quadrupole/time-of-flight (TOF) tandem mass spectrometer. Reagent anions were trapped in a pressurized quadrupole collision cell by applying appropriate DC voltages while multiply protonated protein precursor ions were injected into the collision cell at energies sufficient to give rise to CID. Intact precursor ions as well as fragment ions underwent ion/ion proton transfer reactions during their passage through the collision cell and on to an orthogonal acceleration TOF mass analyzer. The resulting product ion spectrum was then submitted to deconvolution to yield a “zero-charge” spectrum, which was then matched against in silico produced spectra derived from a protein database. Dramatic improvements in the scores associated with correct matches were obtained relative to CID data without benefit of ion/ion reactions for proteins as large as carbonic anhydrase (29 kDa). The parameters that most affect the extent of ion/ion proton transfer during transmission through the instrument include the number of anions stored in the collision cell, the amplitude of the radio-frequency trapping voltage, the voltage of the LINAC potential associated with the collision cell, and the collision gas pressure. This work demonstrates that it is possible to effect whole protein tandem mass spectrometry with simultaneous CID, ion/ion reactions, and mass analysis for high duty cycle top-down protein characterization. PMID:19281259

  9. Condensation and Storage of Hydrogen Cluster Ions

    DTIC Science & Technology

    1988-11-01

    Application to Hydrogen Mol- ecular Ion (H+) Ground State", J. Chem. Phys. 70(8), 3881-3 (1979). 58. Strand, Michael P .; Reinhardt, William P ...R radius of curvature L length of S.C. magnet (axial) Q cross section, throughput of pumping section r radius of annular plasma p integer A thickness...of plasma (annular) w plasma frequency p vo azimuthal velocity E° 0radial electric fieldr u mass to change ratio viii INTRODUCTION The future

  10. Alternative representation for the stability diagram of quadrupole ion traps upon additional quadrupolar excitation.

    PubMed

    Vernier, Arnaud; Chirot, Fabien; Antoine, Rodolphe; Salvador, Arnaud; Charrier, Jean-Philippe; Lemoine, Jerome; Dugourd, Philippe

    2013-01-01

    We present a combined theoretical and experimental study of the stability of ions in a linear ion trap under the application of one or two auxiliary radiofrequency (RF) fields, in order to perform simultaneous resonant excitation/ejection of several different ions. The influence of the amplitude and frequency of the auxiliary field is addressed through the construction of experimental and theoretical stability diagrams. Theoretical diagrams are constructed using the method developed by Konenkov et al. [J. Am. Soc. Mass Spectrom. 13, 597 (2002)]. We propose a new representation of stability diagrams more adapted to the study of auxiliary excitations than the canonical one. Stability regions are represented as a function of the fundamental RF amplitude and of the relative intensity of the excitation. This representation facilitates the monitoring of the evolution of the mass-selectivity of first- and higher-order resonant excitations in the trap, for which an empirical law is derived. We also show that the relative phase shift between the excitation field and the main driving field has a strong influence on the shape of the diagrams.

  11. A Quadrupole Ion Trap Mass Spectrometer for Quantitative Analysis of Nitrogen-Purged Compartments within the Space Shuttle

    NASA Technical Reports Server (NTRS)

    Ottens, Andrew K.; Griffin, Timothy P.; Helms, William R.; Yost, Richard A.; Steinrock, T. (Technical Monitor)

    2001-01-01

    To enter orbit, the Space Shuttle burns 1.8 million liters of liquid hydrogen combined with 0.8 million liters of liquid oxygen through three rocket engines mounted in the aft. NASA monitors the nitrogen-purged aft compartment for increased levels of hydrogen or oxygen in order to detect and determine the severity of a cryogenic fuel leak. Current monitoring is accomplished with a group of mass spectrometer systems located as much as 400 feet away from the Shuttle. It can take up to 45 seconds for gas to reach the mass spectrometer, which precludes monitoring for leaks in the final moments before liftoff (the orbiter engines are started at T-00:06 seconds). To remedy the situation, NASA is developing a small rugged mass spectrometer to be used as point-sensors around the Space Shuttle. As part of this project, numerous mass analyzer technologies are being investigated. Presented here are the preliminary results for one such technology, quadrupole ion trap mass spectrometry (QITMS). A compact QITMS system has been developed in-house at the University of Florida for monitoring trace levels of four primary gases, hydrogen, helium, oxygen, and argon, all in a nitrogen background. Since commercially available QITMS systems are incapable of mass analysis at m/z(exp 2), the home-built system is preferred for the evaluation of QITMS technology.

  12. Sensitive screening of abused drugs in dried blood samples using ultra-high-performance liquid chromatography-ion booster-quadrupole time-of-flight mass spectrometry.

    PubMed

    Chepyala, Divyabharathi; Tsai, I-Lin; Liao, Hsiao-Wei; Chen, Guan-Yuan; Chao, Hsi-Chun; Kuo, Ching-Hua

    2017-03-31

    An increased rate of drug abuse is a major social problem worldwide. The dried blood spot (DBS) sampling technique offers many advantages over using urine or whole blood sampling techniques. This study developed a simple and efficient ultra-high-performance liquid chromatography-ion booster-quadrupole time-of-flight mass spectrometry (UHPLC-IB-QTOF-MS) method for the analysis of abused drugs and their metabolites using DBS. Fifty-seven compounds covering the most commonly abused drugs, including amphetamines, opioids, cocaine, benzodiazepines, barbiturates, and many other new and emerging abused drugs, were selected as the target analytes of this study. An 80% acetonitrile solvent with a 5-min extraction by Geno grinder was used for sample extraction. A Poroshell column was used to provide efficient separation, and under optimal conditions, the analytical times were 15 and 5min in positive and negative ionization modes, respectively. Ionization parameters of both electrospray ionization source and ion booster (IB) source containing an extra heated zone were optimized to achieve the best ionization efficiency of the investigated abused drugs. In spite of their structural diversity, most of the abused drugs showed an enhanced mass response with the high temperature ionization from an extra heated zone of IB source. Compared to electrospray ionization, the ion booster (IB) greatly improved the detection sensitivity for 86% of the analytes by 1.5-14-fold and allowed the developed method to detect trace amounts of compounds on the DBS cards. The validation results showed that the coefficients of variation of intra-day and inter-day precision in terms of the signal intensity were lower than 19.65%. The extraction recovery of all analytes was between 67.21 and 115.14%. The limits of detection of all analytes were between 0.2 and 35.7ngmL(-1). The stability study indicated that 7% of compounds showed poor stability (below 50%) on the DBS cards after 6 months of storage at

  13. Design of a novel electrostatic ion storage ring at KACST

    NASA Astrophysics Data System (ADS)

    El Ghazaly, M. O. A.; Alshammari, S. M.; Welsch, C. P.; Alharbi, H. H.

    2013-05-01

    A new electrostatic storage ring for beams at energies up to 30 keV·q is currently under development at the National Centre for Mathematics and Physics (NCMP), King Abdulaziz City for Science and Technology (KACST). The ring design is based on the existing electrostatic storage rings, but stretches significantly beyond them in that it shall form the core of a unique flexible experimental facility at KACST. The lattice of this ring has been designed in a way that enables the use of state-of-the-art experimental methods to study electron-ion, laser-ion, and ion-neutral beams interactions. The lattice design also allows for a future upgrade of the ring to a double storage ring structure that would enable ion-ion beam interactions to be performed. In this paper, we present the design of this ring with a focus on beam dynamics calculations for the 7° single-bend racetrack layout. The study is principally based on the SIMION8 program. We complemented this study further by using purpose-written routine and MAD-X simulation code. An in-depth investigation into beam stability under consideration of non-linear field components in the electrostatic optical elements, is presented. Finally, different working points and stability regions are discussed.

  14. Direct Chemical Analysis of Solids by Laser Ablation in an Ion-Storage Time-of-Flight Mass Spectrometer

    SciTech Connect

    Klunder, G L; Grant, P M; Andresen, B D; Russo, R E

    2003-09-29

    A laser ablation/ionization mass spectrometer system is described for the direct analysis of solids, particles, and fibers. The system uses a quadrupole ion trap operated in an ion-storage (IS) mode, coupled with a reflectron time-of-flight mass spectrometer (TOF-MS). The sample is inserted radially into the ring electrode and an imaging system allows direct viewing and selected analysis of the sample. Measurements identified trace contaminants of Ag, Sn, and Sb in a Pb target with single laser-shot experiments. Resolution (m/{micro}m) of 1500 and detection limits of approximately 10 pg have been achieved with a single laser pulse. The system configuration and related operating principles for accurately measuring low concentrations of isotopes are described.

  15. Detection of Chemical/Biological Agents and Stimulants using Quadrupole Ion Trap Mass Spectrometry

    SciTech Connect

    Harmon, S.H.; Hart, K.J.; Vass, A.A.; Wise, M.B.; Wolf, D.A.

    1999-06-14

    expanded with additional bacteria and fungi. These spectra were acquired on a Finnigan Magnum ion trap using helium buffer gas. A new database of Cl spectra of microorganisms is planned using the CBMS Block II instrument and air as the buffer gas. Using the current database, the fatty acid composition of the organisms was compared using the percentage of the ion current attributable to fatty acids. The data presented suggest promising rules for discrimination of these organisms. Strain, growth media and vegetative state do contribute to some of the distributions observed in the data. However, the data distributions observed in the current study only reflect our experience to date and do not fully represent the variability that might be expected in practice: Acquisition of MS/ MS spectra has begun (using He and air buffer gas) of the protonated molecular ion of a variety of fatty acids and for a number of ions nominally assigned as fatty acids from microorganisms. These spectra will be used to help verify fatty acid .

  16. A transverse electron target for heavy ion storage rings

    SciTech Connect

    Geyer, Sabrina Meusel, Oliver; Kester, Oliver

    2015-01-09

    Electron-ion interaction processes are of fundamental interest for several research fields like atomic and astrophysics as well as plasma applications. To address this topic, a transverse electron target based on the crossed beam technique was designed and constructed for the application in storage rings. Using a sheet beam of free electrons in crossed beam geometry promises a good energy resolution and gives access to the interaction region for spectroscopy. The produced electron beam has a length of 10 cm in ion beam direction and a width in the transverse plane of 5 mm. Therewith, electron densities of up to 10{sup 9} electrons/cm{sup 3} are reachable in the interaction region. The target allows the adjustment of the electron beam current and energy in the region of several 10 eV to a few keV. Simulations have been performed regarding the energy resolution for electron-ion collisions and its influence on spectroscopic measurements. Also, the effect on ion-beam optics due to the space charge of the electron beam was investigated. Presently the electron target is integrated into a test bench to evaluate its performance for its dedicated installation at the storage rings of the FAIR facility. Therefore, optical diagnostics of the interaction region and charge state analysis with a magnetic spectrometer is used. Subsequently, the target will be installed temporarily at the Frankfurt Low-Energy Storage Ring (FLSR) for further test measurements.

  17. Study of the in vitro metabolism of TJ0711 using ultra high performance liquid chromatography with quadrupole time-of-flight and ultra fast liquid chromatography with quadrupole linear ion trap mass spectrometry.

    PubMed

    Hu, Lei; Lv, Zhenhua; Li, Gao; Xu, Xiaolong; Zhang, Chenghao; Cao, Peng; Huang, Jiangeng; Si, Luqin

    2015-06-01

    TJ0711 (1-[4-(2-methoxyethyl)phenoxy]-3-[2-(2-methoxyphenoxy)ethylamino]-2-propanol) is a novel β-adrenoreceptor blocker with vasodilating activity. The aim of this study was to investigate the in vitro metabolic properties of TJ0711 from both qualitative and quantitative aspects using mouse, rat, dog, and human liver microsomes as well as rat hepatocytes. Two modern liquid chromatography with tandem mass spectrometry systems, ultra high performance liquid chromatography with quadrupole time-of-flight mass spectrometry and ultra fast liquid chromatography with quadrupole linear ion trap mass spectrometry, were utilized for the analysis. To better characterize the metabolic pathways of TJ0711, two major metabolites were incubated under the same conditions as that for TJ0711. TJ0711 was extensively metabolized in vitro, and a total of 34 metabolites, including 19 phase I and 15 phase II metabolites, were identified. Similar metabolite profiles were observed among species, and demethylation, hydroxylation, carboxylic acid formation, and glucuronidation were proposed as the major metabolic routes. Significant interspecies differences were observed in the metabolic stability studies of TJ0711. Furthermore, gender differences were significant in mice, rats, and dogs, but were negligible in humans. The valuable information provided in this work will be useful in planning and interpreting further pharmacokinetic, in vivo metabolism and toxicological studies of this novel β-blocker.

  18. Identification of carcinogen DNA adducts in human saliva by linear quadrupole ion trap/multistage tandem mass spectrometry.

    PubMed

    Bessette, Erin E; Spivack, Simon D; Goodenough, Angela K; Wang, Tao; Pinto, Shailesh; Kadlubar, Fred F; Turesky, Robert J

    2010-07-19

    DNA adducts of carcinogens derived from tobacco smoke and cooked meat were identified by liquid chromatography-electrospray ionization/multistage tandem mass spectrometry (LC-ESI/MS/MS(n)) in saliva samples from 37 human volunteers on unrestricted diets. The N-(deoxyguanosin-8-yl) (dG-C8) adducts of the heterocyclic aromatic amines 2-amino-1-methyl-6-phenylimidazo[4,5-b]pyridine (PhIP), 2-amino-9H-pyrido[2,3-b]indole (AalphaC), 2-amino-3,8-dimethylmidazo[4,5-f]quinoxaline (MeIQx), and the aromatic amine, 4-aminobiphenyl (4-ABP), were characterized and quantified by LC-ESI/MS/MS(n), employing consecutive reaction monitoring at the MS(3) scan stage mode with a linear quadrupole ion trap (LIT) mass spectrometer (MS). DNA adducts of PhIP were found most frequently: dG-C8-PhIP was detected in saliva samples from 13 of 29 ever-smokers and in saliva samples from 2 of 8 never-smokers. dG-C8-AalphaC and dG-C8-MeIQx were identified solely in saliva samples of three current smokers, and dG-C8-4-ABP was detected in saliva from two current smokers. The levels of these different adducts ranged from 1 to 9 adducts per 10(8) DNA bases. These findings demonstrate that PhIP is a significant DNA-damaging agent in humans. Saliva appears to be a promising biological fluid in which to assay DNA adducts of tobacco and dietary carcinogens by selective LIT MS techniques.

  19. Identification of Carcinogen DNA Adducts in Human Saliva by Linear Quadrupole Ion Trap/Multistage Tandem Mass Spectrometry

    PubMed Central

    Bessette, Erin E.; Spivack, Simon D.; Goodenough, Angela K.; Wang, Tao; Pinto, Shailesh; Kadlubar, Fred F.; Turesky, Robert J.

    2010-01-01

    DNA adducts of carcinogens derived from tobacco smoke and cooked meat were identified, by liquid chromatography-electrospray ionization/multi-stage tandem mass spectrometry (LC-ESI/MS/MSn), in saliva samples from 37 human volunteers on unrestricted diets. The N-(deoxyguanosin-8-yl) (dG-C8) adducts of the heterocyclic aromatic amines 2-amino-1-methyl-6-phenylimidazo[4,5-b]pyridine (PhIP); 2-amino-9H-pyrido[2,3-b]indole (AαC); 2-amino-3,8-dimethylmidazo[4,5-f]quinoxaline (MeIQx); and the aromatic amine, 4-aminobiphenyl (4-ABP) were characterized and quantified, by LC-ESI/MS/MSn, employing consecutive reaction monitoring at the MS3 scan stage mode with a linear quadrupole ion trap (LIT) mass spectrometer (MS). DNA adducts of PhIP were found most frequently: dG-C8-PhIP was detected in saliva samples from 13 of 29 ever-smokers and in saliva samples from 2 of 8 never-smokers. dG-C8-AαC and dG-C8-MeIQx were identified solely in saliva samples of 3 current smokers, and dG-C8-4-ABP was detected in saliva from 2 current-smokers. The levels of these different adducts ranged from 1 to 9 adducts per 108 DNA bases. These findings demonstrate that PhIP is a significant DNA-damaging agent in humans. Saliva appears to be a promising biological fluid in which to assay DNA adducts of tobacco and dietary carcinogens, by selective LIT MS techniques. PMID:20443584

  20. Ultra Cold Photoelectron Beams for Ion Storage Rings

    SciTech Connect

    Orlov, D. A.; Krantz, C.; Shornikov, A.; Lestinsky, M.; Hoffmann, J.; Wolf, A.; Jaroshevich, A. S.; Kosolobov, S. N.; Terekhov, A. S.

    2009-08-04

    An ultra cold electron target with a cryogenic GaAs photocathode source, developed for the Heidelberg TSR, delivers electron currents up to a few mA with typical kinetic energies of few keV and provides unprecedented energy resolution below 1 meV for electron-ion recombination merged-beam experiments. For the new generation of low-energy electrostatic storage rings, cold electron beams from a photocathode source can bring additional benefits, improving the cooling efficiency of stored ions and making it possible to cool even heavy, slow molecules by electron beams of energies of only a few eV or even below.

  1. Threshold collision-induced dissociation measurements using a ring ion guide as the collision cell in a triple-quadrupole mass spectrometer.

    PubMed

    Romanov, Vladimir; Verkerk, Udo H; Siu, Chi-Kit; Hopkinson, Alan C; Siu, K W Michael

    2009-08-15

    A triple-quadrupole mass spectrometer has been modified for bond-dissociation energy measurements via threshold collision-induced dissociations (TCIDs) by replacing the conventional collision cell with a ring ion guide. Optimal operating conditions for the ring ion guide were determined or derived, and validated using a set of complexes for which bond dissociation energies are known. A comparison with reference data (within a range of 16-57 kcal/mol) indicates an accuracy approaching that of TCID determined on a guided ion-beam mass spectrometer. Complexes for which bond-dissociation energies were measured include metal ion complexes of simple ligands, amino acids and peptides, as well as of carbonic acid. There is excellent agreement between our experimental data and literature data, as well as theoretical data determined using a high-level computational method.

  2. Comparison of triple quadrupole, hybrid linear ion trap triple quadrupole, time-of-flight and LTQ-Orbitrap mass spectrometers in drug discovery phase metabolite screening and identification in vitro--amitriptyline and verapamil as model compounds.

    PubMed

    Rousu, Timo; Herttuainen, Jukka; Tolonen, Ari

    2010-04-15

    Liquid chromatography in combination with mass spectrometry (LC/MS) is a superior analytical technique for metabolite profiling and identification studies performed in drug discovery and development laboratories. In the early phase of drug discovery the analytical approach should be both time- and cost-effective, thus providing as much data as possible with only one visit to the laboratory, without the need for further experiments. Recent developments in mass spectrometers have created a situation where many different mass spectrometers are available for the task, each with their specific strengths and drawbacks. We compared the metabolite screening properties of four main types of mass spectrometers used in analytical laboratories, considering both the ability to detect the metabolites and provide structural information, as well as the issues related to time consumption in laboratory and thereafter in data processing. Human liver microsomal incubations with amitriptyline and verapamil were used as test samples, and early-phase 'one lab visit only' approaches were used with all instruments. In total, 28 amitriptyline and 69 verapamil metabolites were found and tentatively identified. Time-of-flight mass spectrometry (TOFMS) was the only approach detecting all of them, shown to be the most suitable instrument for elucidating as comprehensive metabolite profile as possible leading also to lowest overall time consumption together with the LTQ-Orbitrap approach. The latter however suffered from lower detection sensitivity and false negatives, and due to slow data acquisition rate required slower chromatography. Approaches with triple quadrupole mass spectrometry (QqQ) and hybrid linear ion trap triple quadrupole mass spectrometry (Q-Trap) provided the highest amount of fragment ion data for structural elucidation, but, in addition to being unable to produce very high-important accurate mass data, they suffered from many false negatives, and especially with the Qq

  3. Lithium Ion Cell Development for Photovoltaic Energy Storage Applications

    SciTech Connect

    Babinec, Susan

    2012-02-08

    The overall project goal is to reduce the cost of home and neighborhood photovoltaic storage systems by reducing the single largest cost component the energy storage cells. Solar power is accepted as an environmentally advantaged renewable power source. Its deployment in small communities and integrated into the grid, requires a safe, reliable and low cost energy storage system. The incumbent technology of lead acid cells is large, toxic to produce and dispose of, and offer limited life even with significant maintenance. The ideal PV storage battery would have the safety and low cost of lead acid but the performance of lithium ion chemistry. Present lithium ion batteries have the desired performance but cost and safety remain the two key implementation barriers. The purpose of this project is to develop new lithium ion cells that can meet PVES cost and safety requirements using A123Systems phosphate-based cathode chemistries in commercial PHEV cell formats. The cost target is a cell design for a home or neighborhood scale at <$25/kWh. This DOE program is the continuation and expansion of an initial MPSC (Michigan Public Service Commission) program towards this goal. This program further pushes the initial limits of some aspects of the original program even lower cost anode and cathode actives implemented at even higher electrode loadings, and as well explores new avenues of cost reduction via new materials specifically our higher voltage cathode. The challenge in our materials development is to achieve parity in the performance metrics of cycle life and high temperature storage, and to produce quality materials at the production scale. Our new cathode material, M1X, has a higher voltage and so requires electrolyte reformulation to meet the high temperature storage requirements. The challenge of thick electrode systems is to maintain adequate adhesion and cycle life. The composite separator has been proven in systems having standard loading electrodes; the challenge

  4. Miniaturized GC/MS instrumentation for in situ measurements: micro gas chromatography coupled with miniature quadrupole array and paul ion trap mass spectrometers

    NASA Technical Reports Server (NTRS)

    Holland, P.; Chutjian, A.; Darrach, M.; Orient, O.

    2002-01-01

    Miniaturized chemical instrumentation is needed for in situ measurements in planetary exploration and other spaceflight applications where factors such as reduction in payload requirements and enhanced robustness are important. In response to this need, we are 'continuing to develop miniaturized GC/MS instrumentation which combines chemical separations by gas chromatography (GC) with mass spectrometry (MS) to provide positive identification of chemical compounds in complex mixtures of gases, such as those found in the International Space Station's cabin atmosphere. Our design approach utilizes micro gas chromatography components coupled with either a miniature quadrupole mass spectrometer array (QMSA) or compact, high-resolution Paul ion trap.

  5. The KACST Heavy-Ion Electrostatic Storage Ring

    NASA Astrophysics Data System (ADS)

    Almuqhim, A. A.; Alshammari, S. M.; El Ghazaly, M. O. A.; Papash, A. I.; Welsch, C. P.

    2011-10-01

    A novel Electrostatic Storage Ring (ESR) for beams at energies up to 30keV/q is now being constructed at the National Centre for Mathematics and Physics (NCMP), King Abdul-Aziz City for Science and Technology (KACST). The ring is designed to be the core of a highly flexible experimental platform that will combine a large package of complementary beam techniques for atomic and molecular physics and related fields. The lattice design had to cover the different experimental techniques that the ring will be equipped with, such as e.g. Electron-Ion, Laser-Ion, Ion-Ion or Ion-Neutral beams, in both crossed and merged-beam configurations. The development of such an ESR is realized in a staged approach, in which a simple and early-run adaptation of the ring is built first, and then this basic version is upgraded to a higher symmetry of the ultimate version of the ring. Here, we report a general overview of this technical development with a focus on the layout of the first built stage of the ring.

  6. The KACST Heavy-Ion Electrostatic Storage Ring

    SciTech Connect

    Almuqhim, A. A.; Alshammari, S. M.; El Ghazaly, M. O. A.; Papash, A. I.; Welsch, C. P.

    2011-10-27

    A novel Electrostatic Storage Ring (ESR) for beams at energies up to 30keV/q is now being constructed at the National Centre for Mathematics and Physics (NCMP), King Abdul-Aziz City for Science and Technology (KACST). The ring is designed to be the core of a highly flexible experimental platform that will combine a large package of complementary beam techniques for atomic and molecular physics and related fields. The lattice design had to cover the different experimental techniques that the ring will be equipped with, such as e.g. Electron-Ion, Laser-Ion, Ion-Ion or Ion-Neutral beams, in both crossed and merged-beam configurations. The development of such an ESR is realized in a staged approach, in which a simple and early-run adaptation of the ring is built first, and then this basic version is upgraded to a higher symmetry of the ultimate version of the ring. Here, we report a general overview of this technical development with a focus on the layout of the first built stage of the ring.

  7. Analyzing system safety in lithium-ion grid energy storage

    NASA Astrophysics Data System (ADS)

    Rosewater, David; Williams, Adam

    2015-12-01

    As grid energy storage systems become more complex, it grows more difficult to design them for safe operation. This paper first reviews the properties of lithium-ion batteries that can produce hazards in grid scale systems. Then the conventional safety engineering technique Probabilistic Risk Assessment (PRA) is reviewed to identify its limitations in complex systems. To address this gap, new research is presented on the application of Systems-Theoretic Process Analysis (STPA) to a lithium-ion battery based grid energy storage system. STPA is anticipated to fill the gaps recognized in PRA for designing complex systems and hence be more effective or less costly to use during safety engineering. It was observed that STPA is able to capture causal scenarios for accidents not identified using PRA. Additionally, STPA enabled a more rational assessment of uncertainty (all that is not known) thereby promoting a healthy skepticism of design assumptions. We conclude that STPA may indeed be more cost effective than PRA for safety engineering in lithium-ion battery systems. However, further research is needed to determine if this approach actually reduces safety engineering costs in development, or improves industry safety standards.

  8. Analyzing system safety in lithium-ion grid energy storage

    DOE PAGES

    Rosewater, David; Williams, Adam

    2015-10-08

    As grid energy storage systems become more complex, it grows more di cult to design them for safe operation. This paper first reviews the properties of lithium-ion batteries that can produce hazards in grid scale systems. Then the conventional safety engineering technique Probabilistic Risk Assessment (PRA) is reviewed to identify its limitations in complex systems. To address this gap, new research is presented on the application of Systems-Theoretic Process Analysis (STPA) to a lithium-ion battery based grid energy storage system. STPA is anticipated to ll the gaps recognized in PRA for designing complex systems and hence be more e ectivemore » or less costly to use during safety engineering. It was observed that STPA is able to capture causal scenarios for accidents not identified using PRA. Additionally, STPA enabled a more rational assessment of uncertainty (all that is not known) thereby promoting a healthy skepticism of design assumptions. Lastly, we conclude that STPA may indeed be more cost effective than PRA for safety engineering in lithium-ion battery systems. However, further research is needed to determine if this approach actually reduces safety engineering costs in development, or improves industry safety standards.« less

  9. Analyzing system safety in lithium-ion grid energy storage

    SciTech Connect

    Rosewater, David; Williams, Adam

    2015-10-08

    As grid energy storage systems become more complex, it grows more di cult to design them for safe operation. This paper first reviews the properties of lithium-ion batteries that can produce hazards in grid scale systems. Then the conventional safety engineering technique Probabilistic Risk Assessment (PRA) is reviewed to identify its limitations in complex systems. To address this gap, new research is presented on the application of Systems-Theoretic Process Analysis (STPA) to a lithium-ion battery based grid energy storage system. STPA is anticipated to ll the gaps recognized in PRA for designing complex systems and hence be more e ective or less costly to use during safety engineering. It was observed that STPA is able to capture causal scenarios for accidents not identified using PRA. Additionally, STPA enabled a more rational assessment of uncertainty (all that is not known) thereby promoting a healthy skepticism of design assumptions. Lastly, we conclude that STPA may indeed be more cost effective than PRA for safety engineering in lithium-ion battery systems. However, further research is needed to determine if this approach actually reduces safety engineering costs in development, or improves industry safety standards.

  10. Noble gas storage and delivery system for ion propulsion

    NASA Technical Reports Server (NTRS)

    Back, Dwight Douglas (Inventor); Ramos, Charlie (Inventor)

    2001-01-01

    A method and system for storing and delivering a noble gas for an ion propulsion system where an adsorbent bearing a noble gas is heated within a storage vessel to desorb the noble gas which is then flowed through a pressure reduction device to a thruster assembly. The pressure and flow is controlled using a flow restrictor and low wattage heater which heats an adsorbent bed containing the noble gas propellant at low pressures. Flow rates of 5-60 sccm can be controlled to within about 0.5% or less and the required input power is generally less than 50 W. This noble gas storage and delivery system and method can be used for earth orbit satellites, and lunar or planetary space missions.

  11. Simultaneous ionization and analysis of 84 anabolic androgenic steroids in human urine using liquid chromatography-silver ion coordination ionspray/triple-quadrupole mass spectrometry.

    PubMed

    Kim, So-Hee; Cha, Eun-Ju; Lee, Kang Mi; Kim, Ho Jun; Kwon, Oh-Seung; Lee, Jaeick

    2014-01-01

    Metal ion coordination ionspray (M(+) CIS) ionization is a powerful technique to enhance ionization efficiency and sensitivity. In this study, we developed and validated an analytical method for simultaneous ionization and analysis of 84 anabolic androgenic steroids (65 exogenous and 19 endogenous) using liquid chromatography-silver ion coordination ionspray/triple-quadrupole mass spectrometry (LC-Ag(+) CIS/MS/MS). The concentrations of silver ions and organic solvents have been optimized to increase the amount of silver ion coordinated complexes. A combination of 25 μM of silver ions and methanol showed the best sensitivity. The validation results showed the intra- (0.8-9.2%) and inter-day (2.5-14.9%) precisions, limits of detection (0.0005-5.0 ng/mL), and matrix effect (71.8-100.3%) for the screening analysis. No significant ion suppression was observed. In addition, this method was successfully applied to analysis of positive samples from suspected abusers and useful for the detection of the trace levels of anabolic steroids in human urine samples.

  12. Profiling the indole alkaloids in yohimbe bark with ultra-performance liquid chromatography coupled with ion mobility quadrupole time-of-flight mass spectrometry.

    PubMed

    Sun, Jianghao; Baker, Andrew; Chen, Pei

    2011-09-30

    An ultra-performance liquid chromatography/ion mobility quadrupole time-of-flight mass spectrometry (UPLC/IM-QTOF-MS) method was developed for profiling the indole alkaloids in yohimbe bark. Many indole alkaloids with the yohimbine or ajmalicine core structure, plus methylated, oxidized and reduced species, were characterized. Common fragments and mass differences are described. It was shown that the use of IMS could provide another molecular descriptor, i.e. molecular shape by rotationally averaged collision cross-section; this is of great value for identification of constituents when reference materials are usually not available. Using the combination of high resolution (~40000) accurate mass measurement with time-aligned parallel (TAP) fragmentation, MS(E) (where E represents collision energy), ion mobility mass spectrometry (IMS) and UPLC chromatography, a total 55 indole alkaloids were characterized and a few new indole alkaloids are reported for the first time.

  13. Studies of Electron-Ion Interactions Using the CRYRING Heavy-Ion Storage Ring Facility

    DTIC Science & Technology

    2005-06-01

    were measured at CRYRING but not ASTRID, and relative cross sections were measured over a broader energy range in ASTRID as compared with CRYRING. We...storage ring facility, has proved to be a powerful tool for measurements of branching ratios in recombination of polyatomic molecular ions. However...because well-resolved mass peaks facilitate the measurement of product branching ratios. Deuterated molecules and peak fitting procedures will be applied to

  14. Multistage fragmentation of ion trap mass spectrometry system and pseudo-MS3 of triple quadrupole mass spectrometry characterize certain (E)-3-(dimethylamino)-1-arylprop-2-en-1-ones: a comparative study.

    PubMed

    Abdelhameed, Ali S; Kadi, Adnan A; Abdel-Aziz, Hatem A; Angawi, Rihab F; Attwa, Mohamed W; Al-Rashood, Khalid A

    2014-01-01

    A new approach was recently introduced to improve the structure elucidation power of tandem mass spectrometry simulating the MS(3) of ion trap mass spectrometry system overcoming the different drawbacks of the latter. The fact that collision induced dissociation in the triple quadrupole mass spectrometer system provides richer fragment ions compared to those achieved in the ion trap mass spectrometer system utilizing resonance excitation. Moreover, extracting comprehensive spectra in the ion trap needs multistage fragmentation, whereas similar fragment ions may be acquired from one stage product ion scan using the triple quadrupole mass spectrometer. The new strategy was proven to enhance the qualitative performance of tandem mass spectrometry for structural elucidation of different chemical entities. In the current study we are endeavoring to prove our hypothesis of the efficiency of the new pseudo-MS(3) technique via its comparison with the MS(3) mode of ion trap mass spectrometry system. Ten pharmacologically and synthetically important (E)-3-(dimethylamino)-1-arylprop-2-en-1-ones (enaminones 4a-j) were chosen as model compounds for this study. This strategy permitted rigorous identification of all fragment ions using triple quadrupole mass spectrometer with sufficient specificity. It can be used to elucidate structures of different unknown components. The data presented in this paper provide clear evidence that our new pseudo-MS(3) may simulate the MS(3) of ion trap spectrometry system.

  15. Ion thermalization using pressure transients in a quadrupole ion trap coupled to a vacuum matrix-assisted laser desorption ionization source and a reflectron time-of-flight mass analyzer.

    PubMed

    Papanastasiou, D; Belgacem, O; Sudakov, M; Raptakis, E

    2008-05-01

    Efficient trapping and detection of intact peptide ions is demonstrated in a quadrupole ion trap (QIT) coupled to an external vacuum matrix-assisted laser desorption ionization (MALDI) source. Deactivation of metastable ions generated by MALDI is achieved in a pressure transient environment inside the QIT established by pulsing gas to access the higher pressures required for fast thermalization, without affecting vacuum conditions in the ion source and time-of-flight (TOF) mass analyzer. Pressure transients are experimentally determined and a threshold of approximately 10 mTorr is identified where internally excited ions, which commonly observed to dissociate upon injection in a QIT, are stabilized. Fragment-free spectra are presented for a set of peptides by using 2,5-dihydroxybenzoic acid (DHB) as a matrix, and significantly reduced fragmentation is observed by using a-cyano-4-hydroxycinnamic acid (CHCA). Intact peptide spectra of a protein tryptic digest are also recorded with CHCA. The process of translational cooling for externally injected ions in a dynamic pressure environment is visualized by using ion trajectory simulations that employ hard sphere collisions. Statistical theory of dynamic equilibrium of ions stored in rf fields is applied to our QIT to characterize a translationally thermalized ion cloud, to explain observed ejection efficiency into the TOF mass analyzer, and to further discuss collisional deactivation of metastable ions.

  16. Comprehensive profiling of N-acylhomoserine lactones produced by Yersinia pseudotuberculosis using liquid chromatography coupled to hybrid quadrupole-linear ion trap mass spectrometry.

    PubMed

    Ortori, Catharine A; Atkinson, Steve; Chhabra, Siri Ram; Cámara, Miguel; Williams, Paul; Barrett, David A

    2007-01-01

    A method for the comprehensive profiling of the N-acylhomoserine lactone (AHL) family of bacterial quorum-sensing molecules is presented using liquid chromatography (LC) coupled to hybrid quadrupole-linear ion trap (QqQLIT) mass spectrometry. Information-dependent acquisition (IDA), using triggered combinations of triple-quadrupole and linear ion trap modes in the same LC-MS/MS run, was used to simultaneously screen, quantify and identify multiple AHLs in a single sample. This MS method uses common AHL fragment ions attributed to the homoserine moiety and the 3-oxo-, 3-hydroxy- or unsubstituted acyl side chains, to identify unknown AHLs in cell-free culture supernatants in an unbiased manner. This LC-MS technique was applied to determine the relative molar ratios of AHLs produced by Yersinia pseudotuberculosis and the consequences of inactivating by mutation either or both of the AHL synthase genes (ypsI and ytbI) on AHL profile and concentration. The Y. pseudotuberculosis wild type but not the ypsI ytbI double mutant produced at least 24 different AHLs with acyl chains ranging from C4 to C15 with or without 3-oxo or 3-hydroxy substituents. YtbI, in contrast to YpsI, could direct the synthesis of all of the AHLs identified. The most abundant and hence most biologically relevant Y. pseudotuberculosis AHLs were found to be the 3-oxo-substituted C6, C7 and C8 AHLs and the unsubstituted C6 and C8 compounds. The LC-QqQLIT methodology is broadly applicable to quorum-sensing signal molecule analysis and can provide comprehensive AHL profiles and concentrations from a single sample and simultaneously collect confirmatory spectra for each AHL identified.

  17. Combination of magnetic and electric quadrupole lenses as zoom Sextuplet ion microprobe focusing system with minimum spherical aberration

    NASA Astrophysics Data System (ADS)

    Dymnikov, Alexander D.; Rout, Bibhudutta; Glass, Gary A.

    2007-08-01

    The new generation nuclear microprobe system at the Louisiana Accelerator Center in the University of Louisiana at Lafayette consists of a 6.25 m beam line that employs the magnetic quadrupole Sextuplet lens system. This Sextuplet is a zoom system having the same demagnifications, the same focal lengths and the same positions of the focal points in (xoz) and (yoz) planes as in the case for the Russian quadruplet. It also can have the same spherical aberrations in both planes. The parameters which allow obtaining the lowest coefficients of spherical aberration are found for different geometrical configurations of electric and magnetic quadrupole lenses. Specifically, the configuration of a combined Sextuplet consisting of two magnetic and four electrostatic lenses or consisting of two electrostatic and four magnetic lenses is studied and compared with magnetic and electrostatic Sextuplets. The values of the chromatic and spherical aberrations for these combined systems are compared and the minimum spot radius and the half-widths of the corresponding slits for some optimal magnetic and electrostatic Sextuplets are given.

  18. Rapid identification of gallotannins from Chinese galls by matrix-assisted laser desorption/ionization time-of-flight quadrupole ion trap mass spectrometry.

    PubMed

    Zhu, Fan; Cai, Yi-Zhong; Xing, Jie; Ke, Jinxia; Zhan, Zhaoqi; Corke, Harold

    2009-06-01

    Chinese gall, a conventional traditional Chinese medicine, contains high levels of gallotannins. A rapid method for direct analysis of the gallotannins without using any troublesome sample pretreatments was developed using matrix-assisted laser desorption/ionization time-of-flight quadrupole ion trap mass spectrometry (MALDI-QIT-TOF MS) to successfully identify the gallotannin components in the crude extract of Chinese galls within several minutes. The high quality of the MS and MS(2) spectra acquired clearly showed that hydrolysable tannins in Chinese galls were identified as a series of the gallotannins with degrees of polymerization (DP) of 4-11 galloyl units. The MS(2) data indicated that the identified gallotannins with DP of 4-7 galloyl units had clear fragmentation with loss of 1-5 galloyl units which were further deprived of 1-3 water moieties. This technique may be used for rapid evaluation and screening of hydrolysable tannins in medicinal plants.

  19. Quantification of intermediate-abundance proteins in serum by multiple reaction monitoring mass spectrometry in a single-quadrupole ion trap.

    PubMed

    Lin, Shanhua; Shaler, Thomas A; Becker, Christopher H

    2006-08-15

    A method is presented to quantify intermediate-abundance proteins in human serum using a single-quadrupole linear ion trap mass spectrometer-in contrast, for example, to a triple-quadrupole mass spectrometer. Stable-isotope-labeled (tryptic) peptides are spiked into digested protein samples as internal standards, aligned with the traditional isotope dilution approach. As a proof-of-concept experiment, four proteins of intermediate abundance were selected, coagulation factor V, adiponectin, C-reactive protein (CRP), and thyroxine binding globulin. Stable-isotope-labeled peptides were synthesized with one tryptic sequence from each of these proteins. The normal human serum concentration ranges of these proteins are from 1 to 30 microg/mL (or 20 to 650 pmol/mL). These labeled peptides and their endogenous counterparts were analyzed by LC-MS/MS using multiple reaction monitoring, a multiplexed form of the selected reaction monitoring technique. For these experiments, only one chromatographic dimension (on-line reversed-phase capillary column) was used. Improved limits of detection will result with multidimensional chromatographic methods utilizing more material per sample. Standard curves of the spiked calibrants were generated with concentrations ranging from 3 to 700 pmol/mL using both neat solutions and peptides spiked into the complex matrix of digested serum protein solution where ion suppression effects and interferences are common. Endogenous protein concentrations were determined by comparing MS/MS peak areas of the endogenous peptides to the isotopically labeled internal calibrants. The derived concentrations from a normal human serum pool (neglecting loss of material during sample processing) were 9.2, 110, 120, and 246 pmol/mL for coagulation factor V, adiponectin, CRP, and thyroxine binding globulin, respectively. These concentrations generally agree with the reported normal ranges for these proteins. As a measure of analytical reproducibility of this

  20. An integrated approach for profiling oxidative metabolites and glutathione adducts using liquid chromatography coupled with ultraviolet detection and triple quadrupole-linear ion trap mass spectrometry.

    PubMed

    Chen, Guiying; Cheng, Zhongzhe; Zhang, Kerong; Jiang, Hongliang; Zhu, Mingshe

    2016-09-10

    The use of liquid chromatography (LC) coupled with triple quadrupole linear ion trap (Qtrap) mass spectrometry (MS) for both quantitative and qualitative analysis in drug metabolism and pharmacokinetic studies is of great interest. Here, a new Qtrap-based analytical methodology for simultaneous detection, structural characterization and semi-quantitation of in vitro oxidative metabolites and glutathione trapped reactive metabolites was reported. In the current study, combined multiple ion monitoring and multiple reaction monitoring were served as surveying scans to trigger product ion spectral acquisition of oxidative metabolites and glutathione adduct, respectively. Then, detection of metabolites and recovery of their MS/MS spectra were accomplished using multiple data mining approaches. Additionally, on-line ultraviolet (UV) detection was employed to determine relative concentrations of major metabolites. Analyses of metabolites of clozapine and nomifensine in rat liver microsomes not only revealed multiple oxidative metabolites and glutathione adducts, but also identified their major oxidative metabolism and bioactivation pathways. The results demonstrated that the LC/UV/MS method enabled Qtrap to perform the comprehensive profiling of oxidative metabolites and glutathione adducts in vitro.

  1. Rapid quantification of four major bioactive alkaloids in Corydalis decumbens (Thunb.) Pers. by pressurised liquid extraction combined with liquid chromatography-triple quadrupole linear ion trap mass spectrometry.

    PubMed

    Shen, Yan; Han, Chao; Jiang, Yongxiang; Zhou, Xiujin; Zhu, Zhenou; Lei, Xinxiang

    2011-05-30

    A new method based on pressurised liquid extraction (PLE) followed by liquid chromatography-triple quadrupole linear ion trap mass spectrometry (LC-QTrap-MS) analysis has been developed for the identification and quantification of four major alkaloids in extracts of Corydalis decumbens (Thunb.) Pers. PLE extractions were performed using 90% ethanol; temperature was set at 100°C and pressure at 1500 psi. HPLC analysis was performed on a Waters XBridge™ C(18) column (150 mm × 2.1mm i.d., 3.5 μm) eluted by a mobile phase of acetonitrile and 0.2% acetic acid. Data acquisition was carried out in multiple reaction monitoring transitions (MRMs) mode, monitoring two MRM transitions to ensure an accurate identification of target compounds in the samples. Additional identification and confirmation of target compounds were performed using the enhanced product ion modus (EPI) of the linear ion trap. The novel LC-QTrap-MS platform offers the best sensitivity and specificity for characterization and quantitative determination of the four alkaloids in C. decumbens (Thunb.) Pers. and fulfils the quality criteria for routine laboratory application.

  2. Ion storage ring measurements of dielectronic recombination for astrophysically relevant Feq+ ions

    SciTech Connect

    Savin, D W; Badnell, N R; Bartsch, T; Brandau, C; Chen, M H; Grieser, M; Gwinner, G; Hoffknecht, A; Kahn, S M; Linkemann, J; Muller, A; Repnow, R; Saghiri, A A; Schippers, S; Schmitt, M; Schwalm, D; Wolf, A

    2000-06-06

    Iron ions provide many valuable plasma diagnostics for cosmic plasmas. The accuracy of these diagnostics, however, often depends on an accurate understanding of the ionization structure of the emitting gas. Dielectronic recombination (DR) is the dominant electron-ion recombination mechanism for most iron ions in cosmic plasmas. Using the heavy-ion storage ring at the Max-Planck-Institute for Nuclear Physics in Heidelberg, Germany, we have measured the low temperature DR rates for Fe{sup q+} where q = 15, 17, 18, and 19. These rates are important for photoionized gases which form in the media surrounding active galactic nuclei, X-ray binaries, and cataclysmic variables. Our results demonstrate that commonly used theoretical approximations for calculating low temperature DR rates can easily under- or over-estimate the DR rate by a factor of {approx} 2 or more. As essentially all DR rates used for modeling photoionized gases are calculated using these approximations, our results indicate that new DR rates are needed for almost all charge states of cosmically abundant elements. Measurements are underway for other charge states of iron.

  3. Evaluation of various liquid chromatography-quadrupole-linear ion trap-mass spectrometry operation modes applied to the analysis of organic pollutants in wastewaters.

    PubMed

    Bueno, María Jesús Martínez; Agüera, Ana; Hernando, María Dolores; Gómez, María José; Fernández-Alba, Amadeo R

    2009-08-07

    The LC-MS/MS analysis of a group of 14 organic pollutants in wastewater--including pharmaceuticals (analgesics/anti-inflammatories, lipid regulators and diuretics), pesticides (diuron) and disinfectants (chlorophene)--has been carried out using a hybrid triple quadrupole-linear ion trap-mass spectrometer (QqLIT). In order to take advantage of the capabilities of the QqLIT system, two methods have been developed and compared, based on the application of different operation modes. One of them uses selected reaction monitoring (SRM), which is the standard mode for quantitative LC-MS/MS analysis. The other is based on the use of an information dependent acquisition scan function (IDA), which allows the combination of a SRM acting as the survey scan and an enhanced product ion scan (EPI) as dependent scan within the same analysis. Performance of both methods was compared, especially in terms of their limits of detection and identification capability. The advantages and limitations of both techniques are discussed. Finally, the two methodologies developed were applied to real samples for evaluation of effluent wastewater in a treatment plant on the south-eastern Mediterranean coast of Spain. The presence of most of the target compounds was detected at mean concentrations ranging from 50 ng/L (mefenamic acid) to 3373 ng/L (hydrochlorothiazide).

  4. The Visible Photodissociation Spectra of the Molecular Ions of Negative Carbonate, Negative Ozone, and Positive Ozone by Triple Quadrupole Mass Spectrometry.

    NASA Astrophysics Data System (ADS)

    Hiller, Joseph Francis, Jr.

    A modified version of the triple quadrupole photodissociation mass spectrometer utilizing a chemical ionization ion source and a nitrogen pumped tunable dye laser is described. The visible photodissociation spectra are reported for the processes. CO(,3)('-) + h(nu) (--->) O('-) + CO(,2). O(,3)('-) + h(nu) (--->) O('-) + O(,2). (--->) O(,2)('-) + O. O(,3)('+) + h(nu) (--->) O('+) + O(,2). (--->) O(,2)('+) + O. as absolute cross sections as functions of photon energy. Sequential two photon processes and excited state ion/neutral. reactions are observed directly for the visible excitation of CO(,3)('-). Rate constants and absolute cross sections are presented for these. reactions, and for the inferred fluorescent and relaxation processes. as well. Thresholds are located for three of these dissociations as. D(CO(,2)-O('-)) 2.258 (+OR-) 0.008 eV. D(O-O(,2)('-)) 2.410 (+OR-) 0.010 eV. D(O(,2)-O('+)) 1.860 (+OR-) 0.005 eV. Excited states of O(,3)('-) are identified, and vibrational analyses are included for the O(,3)('-) and O(,3)('+) spectra.

  5. Generation of pulsed ion beams by an inductive storage pulsed power generator

    NASA Astrophysics Data System (ADS)

    Katsuki, Sunao; Akiyama, Hidenori; Maeda, Sadao

    1990-10-01

    A pulsed power generator by an inductive energy storage system is extremely compact and light in comparison with a conventional pulsed power generator, which consists of a Marx bank and a water pulse forming line. A compact and light pulse power generator is applied to the generation of pulsed ion beams. A thin copper fuse is used an an opening switch, which is necessary in the inductive storage pulsed power generator. A magnetically insulated diode is used for the generation of ion beams. The pulsed ion beams are successfully generated by the inductive storage pulsed power generator for the first time.

  6. QUADRUPOLE BEAM-BASED ALIGNMENT AT RHIC.

    SciTech Connect

    NIEDZIELA, J.; MONTAG, C.; SATOGATA, T.

    2005-05-16

    Successful implementation of a beam-based alignment algorithm, tailored to different types of quadrupoles at RHIC, provides significant benefits to machine operations for heavy ions and polarized protons. This algorithm was used to calibrate beam position monitor centers relative to interaction region quadrupoles to maximize aperture. This approach was also used to determine the optimal orbit through transition jump quadrupoles to minimize orbit changes during the transition jump for heavy ion acceleration. This paper provides background discussion and results from first measurements during the RHIC 2005 run.

  7. Simultaneous identification and quantification of tetrodotoxin in fresh pufferfish and pufferfish-based products using immunoaffinity columns and liquid chromatography/quadrupole-linear ion trap mass spectrometry

    NASA Astrophysics Data System (ADS)

    Guo, Mengmeng; Wu, Haiyan; Jiang, Tao; Tan, Zhijun; Zhao, Chunxia; Zheng, Guanchao; Li, Zhaoxin; Zhai, Yuxiu

    2016-08-01

    In this study, we established a comprehensive method for simultaneous identification and quantification of tetrodotoxin (TTX) in fresh pufferfish tissues and pufferfish-based products using liquid chromatography/quadrupole-linear ion trap mass spectrometry (LC-QqLIT-MS). TTX was extracted by 1% acetic acid-methanol, and most of the lipids were then removed by freezing lipid precipitation, followed by purification and concentration using immunoaffinity columns (IACs). Matrix effects were substantially reduced due to the high specificity of the IACs, and thus, background interference was avoided. Quantitation analysis was therefore performed using an external calibration curve with standards prepared in mobile phase. The method was evaluated by fortifying samples at 1, 10, and 100 ng/g, respectively, and the recoveries ranged from 75.8%-107%, with a relative standard deviation of less than 15%. The TTX calibration curves were linear over the range of 1-1 000 μg/L, with a detection limit of 0.3 ng/g and a quantification limit of 1 ng/g. Using this method, samples can be further analyzed using an information-dependent acquisition (IDA) experiment, in the positive mode, from a single liquid chromatography-tandem mass spectrometry injection, which can provide an extra level of confirmation by matching the full product ion spectra acquired for a standard sample with those from an enhanced product ion (EPI) library. The scheduled multiple reaction monitoring method enabled TTX to be screened for, and TTX was positively identified using the IDA and EPI spectra. This method was successfully applied to analyze a total of 206 samples of fresh pufferfish tissues and pufferfish-based products. The results from this study show that the proposed method can be used to quantify and identify TTX in a single run with excellent sensitivity and reproducibility, and is suitable for the analysis of complex matrix pufferfish samples.

  8. SU-E-T-590: Optimizing Magnetic Field Strengths with Matlab for An Ion-Optic System in Particle Therapy Consisting of Two Quadrupole Magnets for Subsequent Simulations with the Monte-Carlo Code FLUKA

    SciTech Connect

    Baumann, K; Weber, U; Simeonov, Y; Zink, K

    2015-06-15

    Purpose: Aim of this study was to optimize the magnetic field strengths of two quadrupole magnets in a particle therapy facility in order to obtain a beam quality suitable for spot beam scanning. Methods: The particle transport through an ion-optic system of a particle therapy facility consisting of the beam tube, two quadrupole magnets and a beam monitor system was calculated with the help of Matlab by using matrices that solve the equation of motion of a charged particle in a magnetic field and field-free region, respectively. The magnetic field strengths were optimized in order to obtain a circular and thin beam spot at the iso-center of the therapy facility. These optimized field strengths were subsequently transferred to the Monte-Carlo code FLUKA and the transport of 80 MeV/u C12-ions through this ion-optic system was calculated by using a user-routine to implement magnetic fields. The fluence along the beam-axis and at the iso-center was evaluated. Results: The magnetic field strengths could be optimized by using Matlab and transferred to the Monte-Carlo code FLUKA. The implementation via a user-routine was successful. Analyzing the fluence-pattern along the beam-axis the characteristic focusing and de-focusing effects of the quadrupole magnets could be reproduced. Furthermore the beam spot at the iso-center was circular and significantly thinner compared to an unfocused beam. Conclusion: In this study a Matlab tool was developed to optimize magnetic field strengths for an ion-optic system consisting of two quadrupole magnets as part of a particle therapy facility. These magnetic field strengths could subsequently be transferred to and implemented in the Monte-Carlo code FLUKA to simulate the particle transport through this optimized ion-optic system.

  9. Determination of the electric quadrupole moment of /sup 7/Li by Coulomb scattering of an aligned /sup 7/Li ions

    SciTech Connect

    Egelhof, P.; Dreves, W.; Moebius, K.; Steffens, E.; Tungate, G.; Zupranski, P.; Fick, D.; Boettger, R.; Roesel, F.

    1980-05-26

    The electric quadrapole moment of /sup 7/Li was determined by Coulomb scattering of aligned /sup 7/Li ions to be Q-34=(+- 6) exmb. This compares favorably with the value Q-41=(+- 6) exmb determined by atomic-beam spectroscopy.

  10. Battery Energy Storage Market: Commercial Scale, Lithium-ion Projects in the U.S.

    SciTech Connect

    McLaren, Joyce; Gagnon, Pieter; Anderson, Kate; Elgqvist, Emma; Fu, Ran; Remo, Tim

    2016-10-01

    This slide deck presents current market data on the commercial scale li-ion battery storage projects in the U.S. It includes existing project locations, cost data and project cost breakdown, a map of demand charges across the U.S. and information about how the ITC and MACRS apply to energy storage projects that are paired with solar PV technology.

  11. Formation of solvated ions in the atmospheric interface of an electrospray ionization triple-quadrupole mass spectrometer.

    PubMed

    Schlosser, Gitta; Takáts, Zoltán; Vékey, Károly

    2003-12-01

    A simple method capable of generating and investigating various solvent clusters and solvated ions was developed. The technique opens a door to studying these complexes on commercially available instruments. Formation of the desired solvated ion in the gas phase was achieved by introducing the appropriate volatile solvent vapour into the curtain gas stream. Capabilities of the technique are illustrated by generating alkali, alkaline earth and transition metal cations solvated by various volatile compounds such as water, methanol and acetonitrile. Depending on the ligands and on the experimental conditions, clusters of 2-100 molecules may be observed. Isotope labelling suggests that these are formed by a re-solvation process in the curtain gas region.

  12. Quantitative determination of isoquinoline alkaloids and chlorogenic acid in Berberis species using ultra high performance liquid chromatography with hybrid triple quadrupole linear ion trap mass spectrometry.

    PubMed

    Singh, Awantika; Bajpai, Vikas; Kumar, Sunil; Arya, Kamal Ram; Sharma, Kulwant Rai; Kumar, Brijesh

    2015-06-01

    Berberis species are well known and used extensively as medicinal plants in traditional medicine. They have many medicinal values attributable to the presence of alkaloids having different pharmacological activities. In this study, a method was developed and validated as per international conference on harmonization guidelines using ultra high performance liquid chromatography with hybrid triple quadrupole-linear ion trap mass spectrometry operated in the multiple reaction monitoring mode for nine bioactive compounds, including protoberberine alkaloids, aporphine alkaloids and chlorogenic acid. This method was applied in different plant parts of eight Berberis species to determine variations in content of nine bioactive compounds. The separation was achieved on an ACQUITY UPLC CSH™ C18 column using a gradient mobile phase at flow rate 0.3 mL/min. Calibration curves for all the nine analytes provided optimum linear detector response (with R(2) ≥0.9989) over the concentration range of 0.5-1000 ng/mL. The precision and accuracy were within RSDs ≤2.4 and ≤2.3%, respectively. The results indicated significant variation in the total contents of the nine compounds in Berberis species.

  13. Trace analysis of herbicides in wastewaters by a dispersive liquid-liquid microextraction approach and liquid chromatography with quadrupole linear ion trap mass spectrometry: evaluation of green parameters.

    PubMed

    del Mar Parrilla Vázquez, Maria; Martínez Galera, Maria; Parrilla Vázquez, Piedad; Uclés Moreno, Ana

    2014-06-01

    An analytical method for determining phenylureas (monuron, isoproturon, diuron, linuron and neburon) and propanil herbicides in wastewater has been developed and validated, and the most significant parameters were compared with the corresponding ones found in the literature, thus showing the method performance. The method involves pre-concentration by a simple, rapid, sensitive and low environmental toxicity temperature-controlled ionic liquid dispersive liquid-liquid microextraction procedure. The herbicides were identified and determined by liquid chromatography with a hybrid triple quadrupole linear ion trap mass spectrometer. Data acquisition in selected-reaction monitoring mode allowed the simultaneous identification and quantification of the analytes using two transitions. The information dependent acquisition scan was performed to carry out the identification of those analytes whose second transition was present at low intensity, also providing extra confirmation for the other analytes. Limits of quantification were in the range 1.0-5.0 ng/L. Good recoveries (95-103%) were obtained for the extraction of the target analytes in wastewater samples. The methodology developed was applied to analyze effluent wastewater samples from a wastewater treatment plant located in an agricultural zone of Almería (Spain) and the results indicated the presence of diuron at mean concentration levels of 73.5 ng/L.

  14. HPLC/ESI-quadrupole ion trap mass spectrometry for characterization and direct quantification of amphoteric and nonionic surfactants in aqueous samples

    NASA Technical Reports Server (NTRS)

    Levine, Lanfang H.; Garland, Jay L.; Johnson, Jodie V.

    2002-01-01

    An amphoteric (cocamidopropylbetaine, CAPB) and a nonionic (alcohol polyethoxylate, AE) surfactant were characterized by electrospray ionization quadrupole ion trap mass spectrometry (ESI-MS) as to their homologue distribution and ionization/fragmentation chemistry. Quantitative methods involving reversed-phase gradient HPLC and (+)ESI-MSn were developed to directly determine these surfactants in hydroponic plant growth medium that received simulated graywater. The predominant homologues, 12 C alkyl CAPB and 9 EO AE, were monitored to represent the total amount of the respective surfactants. The methods demonstrated dynamic linear ranges of 0.5-250 ng (r2 > 0.996) for CAPB and 8-560 ng (r2 > 0.998) for AE homologue mixture, corresponding to minimum quantification limits of 25 ppb CAPB and 0.4 ppm AE with 20-microL injections. This translated into an even lower limit for individual components due to the polydispersive nature of the surfactants. The procedure was successfully employed for the assessment of CAPB and AE biodegradation in a hydroponic plant growth system used as a graywater bioreactor.

  15. Comprehensive characterization of ethoxyquin transformation products in fish feed by traveling-wave ion mobility spectrometry coupled to quadrupole time-of-flight mass spectrometry.

    PubMed

    Negreira, Noelia; Regueiro, Jorge; Valdersnes, Stig; Berntssen, Marc H G; Ørnsrud, Robin

    2017-05-01

    Feed additives are typically used in intensive farming production over long periods, and hence, they can accumulate in farmed animal tissues. Concerns regarding the use of ethoxyquin as an antioxidant feed additive, have recently arisen due to its potential conversion into a series of transformation products (TPs). The aim of this work was to characterize the TPs of ethoxyquin in fish feed by a novel approach based on the use of traveling-wave ion mobility spectrometry (TWIMS) coupled to high-resolution quadrupole time-of-flight mass spectrometry (QTOFMS). First, ethoxyquin was oxidized under controlled conditions and the generated TPs were added to a comprehensive database. Atlantic salmon feeds were then screened for ethoxyquin TPs using both targeted and untargeted approaches. Twenty-seven TPs were tentatively identified during the oxidation experiments, fifteen of them also being present in the feed samples. In addition, ten other potential TPs were detected in fish feed following the untargeted approach. Thirty-one of these TPs have been reported for the first time in this work through the oxidation experiments and the feed samples. Therefore, this study provides valuable information on the oxidative fate of ethoxyquin in feed, which can be used for future evaluations of potential risk related to this additive.

  16. Trace analysis of pesticides in paddy field water by direct injection using liquid chromatography-quadrupole-linear ion trap-mass spectrometry.

    PubMed

    Pareja, Lucía; Martínez-Bueno, M J; Cesio, Verónica; Heinzen, Horacio; Fernández-Alba, A R

    2011-07-29

    A multiresidue method was developed for the quantification and confirmation of 70 pesticides in paddy field water. After its filtration, water was injected directly in a liquid chromatograph coupled to a hybrid triple quadrupole-linear ion trap-mass spectrometer (QqLIT). The list of target analytes included organophosphates, phenylureas, sulfonylureas, carbamates, conazoles, imidazolinones and others compounds widely used in different countries where rice is cropped. Detection and quantification limits achieved were in the range from 0.4 to 80 ng L(-1) and from 2 to 150 ng L(-1), respectively. Correlation coefficients for the calibration curves in the range 0.1-50 μg L(-1) were higher than 0.99 except for diazinon (0.1-25 μg L(-1)). Only 9 pesticides presented more than 20% of signal suppression/enhancement, no matrix effect was observed in the studied conditions for the rest of the target pesticides. The method developed was used to investigate the occurrence of pesticides in 59 water samples collected in paddy fields located in Spain and Uruguay. The study shows the presence of bensulfuron methyl, tricyclazole, carbendazim, imidacloprid, tebuconazole and quinclorac in a concentration range from 0.08 to 7.20 μg L(-1).

  17. Simultaneous Qualitative Assessment and Quantitative Analysis of Metabolites (Phenolics, Nucleosides and Amino Acids) from the Roots of Fresh Gastrodia elata Using UPLC-ESI-Triple Quadrupole Ion MS and ESI- Linear Ion Trap High-Resolution MS

    PubMed Central

    Chen, Sha; Liu, Jun Qiu; Xiao, Hui; Zhang, Jun; Liu, An

    2016-01-01

    A sensitive, effective and optimized method, based on ultra performance liquid chromatography (UPLC) coupled with ESI-triple quadrupole ion MS and ESI-linear ion trap high-resolution MS, has been developed for the simultaneous quantitative and qualitative determination of phenolics, nucleosides and amino acids in the roots of fresh Gastrodia elata. Optimization of the analytical method provided higher separation efficiency and better peak resolution for the targeted compounds. The simultaneous separation protocols were also optimized by routinely using accurate mass measurements, within 5 ppm error, for each molecular ion and the subsequent fragment ions. In total, 31 compounds, including 23 phenolics, two nucleosides, four amino acids, one gastrodin and one other compound were identified or tentatively characterized. Mono-substituted parishin glucoside (9), methoxy mono-substituted parishin (13), methyl parishin (26), p-hydroxybenzyl di-substituted parishin (29), and p-hydroxybenzyl parishin (31) were tentatively identified as new compounds. Principal metabolite content analysis and the composition of eight representative G. elata cultivars of various species indicated that geographic insulation was the main contributor to clustering. PMID:26954012

  18. Liquid chromatography tandem mass spectrometric quantitation of sulfamethazine and its metabolites: direct analysis of swine urine by triple quadrupole and by ion trap mass spectrometry.

    PubMed

    Bartolucci, G; Pieraccini, G; Villanelli, F; Moneti, G; Triolo, A

    2000-01-01

    This work describes a new method for the quantitation of trace amounts of sulfamethazine (SMZ) and its main metabolite, N4-acetylsulfamethazine (Ac-SMZ), in swine urine, using high-performance liquid chromatography (HPLC) tandem mass spectrometric analysis of crude urine after addition of internal standard and simple dilution with water. The aim was to determine whether residues of this sulfamidic drug, normally administered to swine in order to prevent infectious diseases, were present in urine at levels lower than those permitted by regulatory authorities before human consumption (EU Project SMT, contract number CT 96-2092). A 10 microL volume of diluted urine was injected into a very short, narrow-bore chromatographic column (Zorbax SB-C18 2.1 i. d. x30 mm length, 3.5 microm pore size). Elution of the analytes of interest was achieved in less than seven minutes using a rapid gradient (from 20 to 80% methanol in 3 minutes). Either a PE Sciex API 365 triple quadrupole (QqQ), operated in the selected reaction monitoring (SRM) mode, or a Finnigan LCQ ion trap (IT) mass spectrometer, operated in narrow-range product ion scan, was used as the final detector. Electrospray (ESI) was used as the ionization technique. A comparison of the two tandem mass spectrometers was performed by analyzing the same set of test samples, at three concentration levels, on three different days. Linearity of responses of the calibration standards, intra- and inter-assay precision of the samples, specificity and limits of detection were evaluated for both systems. Both the QqQ and the IT instrument was suitable for rapid, sensitive and specific determination of the analytes, although the overall performance of the QqQ was slightly superior in terms of linearity, precision and sensitivity.

  19. Screening for DNA Adducts by Data-Dependent Constant Neutral Loss - Triple Stage (MS3) Mass Spectrometry with a Linear Quadrupole Ion Trap Mass Spectrometer

    PubMed Central

    Bessette, Erin E.; Goodenough, Angela K.; Langouët, Sophie; Yasa, Isil; Kozekov, Ivan D.; Spivack, Simon D.; Turesky, Robert J.

    2009-01-01

    A 2-dimensional linear quadrupole ion trap mass spectrometer (LIT/MS) was employed to simultaneously screen for DNA adducts of environmental, dietary, and endogenous genotoxicants, by data-dependent constant neutral loss scanning followed by triple-stage mass spectrometry (CNL-MS3). The loss of the deoxyribose (dR) from the protonated DNA adducts ([M+H-116]+) in the MS/MS scan mode triggered the acquisition of MS3 product ion spectra of the aglycone adducts [BH2+]. Five DNA adducts of the tobacco carcinogen 4-aminobiphenyl (4-ABP) were detected in human hepatocytes treated with 4-ABP, and three DNA adducts of the cooked-meat carcinogen 2-amino-3,8-dimethylimidazo[4,5-f]quinoxaline (MeIQx) were identified in the livers of rats exposed to MeIQx, by the CNL-MS3 scan mode. Buccal-cell DNA from tobacco smokers was screened for DNA adducts of various classes of carcinogens in tobacco smoke including 4-ABP, 2-amino-9H-pyrido[2,3-b]indole (AαC), and benzo[a]pyrene (BaP); the cooked-meat carcinogens MeIQx, AαC, and 2-amino-1-methyl-6-phenylmidazo[4,5-b]pyridine (PhIP); and the lipid peroxidation products acrolein (AC) and trans-4-hydroxynonenal (HNE). The CNL-MS3 scanning technique can be used to simultaneously screen for multiple DNA adducts derived from different classes of carcinogens, at levels of adduct modification approaching 1 adduct per 108 unmodified DNA bases, when 10 μg of DNA are employed for the assay. PMID:19086795

  20. A novel solid-phase extraction for the concentration of sweeteners in water and analysis by ion-pair liquid chromatography-triple quadrupole mass spectrometry.

    PubMed

    Gan, Zhiwei; Sun, Hongwen; Wang, Ruonan; Feng, Biting

    2013-01-25

    A highly sensitive method for the simultaneous trace (ng/L) quantification of seven commonly used artificial sweeteners in a variety of water samples using solid-phase extraction and ion-pair high-performance liquid chromatography (HPLC) triple quadrupole mass spectrometer with an electrospray ionization source (ESI-MS) in negative ion multiple reaction monitoring mode was developed. Ten solid phase extraction (SPE) cartridges were tested to evaluate their applicability for the pre-concentration of the analytes, and their loading and eluting parameters were optimized. Satisfactory recoveries (77-99%) of all of the studied sweeteners were obtained using a Poly-Sery PWAX cartridge with 25 mM sodium acetate solution (pH 4) as wash buffer and methanol containing 1mM tris (hydroxymethyl) amino methane (TRIS) as eluent. The method is sound and does not require pH adjustment or buffering of water samples. The HPLC separation was performed on an Athena C18-WP column with water and acetonitrile, both containing 5mM ammonium acetate and 1mM TRIS as mobile phases, in gradient elution mode. The linearity, precision, and accuracy of the method were evaluated, and good reproducibility was obtained. Method quantification limits varied between 0.4 and 7.5 ng/L for different water samples. The post-extraction spike method was applied to assess matrix effects, and quantification was achieved using internal standard calibration to overcome the unavoidable matrix effects during ESI-MS analysis. The method was applied to the analysis of thirteen water samples from Tianjin, China, including wastewater, tap water, surface water, and groundwater. The method described here is time-saving, accurate and precise, and is suitable for monitoring artificial sweeteners in different water matrices.

  1. Screening for DNA adducts by data-dependent constant neutral loss-triple stage mass spectrometry with a linear quadrupole ion trap mass spectrometer.

    PubMed

    Bessette, Erin E; Goodenough, Angela K; Langouët, Sophie; Yasa, Isil; Kozekov, Ivan D; Spivack, Simon D; Turesky, Robert J

    2009-01-15

    A two-dimensional linear quadrupole ion trap mass spectrometer (LIT/MS) was employed to simultaneously screen for DNA adducts of environmental, dietary, and endogenous genotoxicants, by data-dependent constant neutral loss scanning followed by triple-stage mass spectrometry (CNL-MS3). The loss of the deoxyribose (dR) from the protonated DNA adducts ([M + H - 116]+) in the MS/MS scan mode triggered the acquisition of MS3 product ion spectra of the aglycone adducts [BH2]+. Five DNA adducts of the tobacco carcinogen 4-aminobiphenyl (4-ABP) were detected in human hepatocytes treated with 4-ABP, and three DNA adducts of the cooked-meat carcinogen 2-amino-3,8-dimethylimidazo[4,5-f]quinoxaline (MeIQx) were identified in the livers of rats exposed to MeIQx, by the CNL-MS3 scan mode. Buccal cell DNA from tobacco smokers was screened for DNA adducts of various classes of carcinogens in tobacco smoke including 4-ABP, 2-amino-9H-pyrido[2,3-b]indole (AalphaC), and benzo[a]pyrene (BaP); the cooked-meat carcinogens MeIQx, AalphaC, and 2-amino-1-methyl-6-phenylmidazo[4,5-b]pyridine (PhIP); and the lipid peroxidation products acrolein (AC) and trans-4-hydroxynonenal (HNE). The CNL-MS3 scanning technique can be used to simultaneously screen for multiple DNA adducts derived from different classes of carcinogens, at levels of adduct modification approaching 1 adduct per 108 unmodified DNA bases, when 10 microg of DNA is employed for the assay.

  2. Evaluating Multiplexed Quantitative Phosphopeptide Analysis on a Hybrid Quadrupole Mass Filter/Linear Ion Trap/Orbitrap Mass Spectrometer

    PubMed Central

    2015-01-01

    As a driver for many biological processes, phosphorylation remains an area of intense research interest. Advances in multiplexed quantitation utilizing isobaric tags (e.g., TMT and iTRAQ) have the potential to create a new paradigm in quantitative proteomics. New instrumentation and software are propelling these multiplexed workflows forward, which results in more accurate, sensitive, and reproducible quantitation across tens of thousands of phosphopeptides. This study assesses the performance of multiplexed quantitative phosphoproteomics on the Orbitrap Fusion mass spectrometer. Utilizing a two-phosphoproteome model of precursor ion interference, we assessed the accuracy of phosphopeptide quantitation across a variety of experimental approaches. These methods included the use of synchronous precursor selection (SPS) to enhance TMT reporter ion intensity and accuracy. We found that (i) ratio distortion remained a problem for phosphopeptide analysis in multiplexed quantitative workflows, (ii) ratio distortion can be overcome by the use of an SPS-MS3 scan, (iii) interfering ions generally possessed a different charge state than the target precursor, and (iv) selecting only the phosphate neutral loss peak (single notch) for the MS3 scan still provided accurate ratio measurements. Remarkably, these data suggest that the underlying cause of interference may not be due to coeluting and cofragmented peptides but instead from consistent, low level background fragmentation. Finally, as a proof-of-concept 10-plex experiment, we compared phosphopeptide levels from five murine brains to five livers. In total, the SPS-MS3 method quantified 38 247 phosphopeptides, corresponding to 11 000 phosphorylation sites. With 10 measurements recorded for each phosphopeptide, this equates to more than 628 000 binary comparisons collected in less than 48 h. PMID:25521595

  3. Trace level haloacetic acids in drinking water by direct injection ion chromatography and single quadrupole mass spectrometry.

    PubMed

    Mathew, Johnson; McMillin, Rick; Gandhi, Jay; Mohsin, Sheher; Czyborra, Stefanie

    2009-08-01

    Chlorine has been widely used to kill disease-causing microbes in drinking water. During the disinfection process, organic and inorganic material in source waters can combine with chlorine and certain other chemical disinfectants to form disinfection by-products. The kind of disinfectant used can produce different types and levels of disinfectant byproducts in the drinking water, such as trihalomethanes and haloacetic acids (5HAAs). Currently, USEPA Method 552 utilizes a methyl tert-butyl ether extraction and diazomethane derivatization of HAAs and phenolic disinfectant by-products, and a gas chromatograph equipped with a capillary column to perform the separation of methyl-haloacetates and anisoles. To detect, gas chromatography and electron capture detector are used. This article demonstrates a simple method using direct injection ion chromatography hyphenated with mass spectrometry for the analysis of 5HAAs.

  4. Pseudocapacitive Lithium-Ion Storage in Oriented Anatase TiO2 Nanotube Arrays

    SciTech Connect

    Zhu, K.; Wang, Q.; Kim, J. H.; Pesaran, A. A.; Frank, A. J.

    2012-06-07

    We report on the synthesis and electrochemical properties of oriented anatase TiO{sub 2} nanotube (NT) arrays as electrodes for Li-ion batteries. The TiO{sub 2} NT electrodes displayed both pseudocapacitive Li{sup +} storage associated with the NT surface and the Li{sup +} storage within the bulk material. The relative contribution of the pseudocapacitive and bulk storages depends strongly on the scan rate. While the charges are stored primarily in the bulk at low scan rates (<< 1 mV/s), the surface storage dominates the total storage capacity at higher scan rates (>1 mV/s). The storage capacity of the NT electrodes as a function of charge/discharge rates showed no dependence on the NT film thickness, suggesting that the Li{sup +} insertion/extraction processes occur homogeneously across the entire length of NT arrays. These results indicated that the electron conduction along the NT walls and the ion conduction within the electrolyte do not cause significant hindering of the charge/discharge kinetics for NT electrode architectures. As a result of the surface pseudocapacitive storage, the reversible Li{sup +} storage capacities for TiO{sub 2} NT electrodes were higher than the theoretical storage capacity for bulk anatase TiO{sub 2} materials.

  5. Storage and Aging Effects on Spherical Resorcinol-Formaldehyde Resin Ion Exchange Performance

    SciTech Connect

    Fiskum, Sandra K.; Arm, Stuart T.; Edwards, Matthew K.; Steele, Marilyn J.; Thomas, Kathie K.

    2007-09-10

    Bechtel National, Inc. (BNI) is evaluating the alternate Cs ion exchanger, spherical resorcinol-formaldehyde (RF), for use in the River Protection Project-Waste Treatment Plant (RPP-WTP).( ) Previous test activities with spherical RF indicate that it has adequate capacity, selectivity, and kinetics to perform in the plant according to the flowsheet needs. It appears to have better elution and hydraulic properties than the existing alternatives: ground-gel RF and SuperLig® 644 (SL 644).( ) To date, the spherical RF performance testing has been conducted on freshly manufactured resin (within ~2 months of manufacture). The ion exchange resins will be manufactured and shipped to the WTP up to 1 year before being used in the plant. Changes in the resin properties during storage could reduce the capacity of the resin to remove Cs from low-activity waste solutions. Active sites on organic SL-644 resin have been shown to degrade during storage (Arm et al. 2004). Additional testing was needed to study the effects of storage conditions and aging on spherical RF ion exchange performance. Variables that could have a significant impact on ion exchange resins during storage include storage temperature, medium, and time. Battelle—Pacific Northwest Division (PNWD) was contracted to test the effects of various storage conditions on spherical RF resin. Data obtained from the testing will be used by the WTP operations to provide direction for suitable storage conditions and manage the spherical RF resin stock. Storage test conditions included wet and dry resin configurations under nitrogen at three temperatures. Work was initially conducted under contract number 24590-101-TSA-W000-00004 satisfying the needs defined in Appendix C of the Research and Technology Plan( ) TSS A-219 to evaluate the impact of storage conditions on RF resin performance. In February 2007, the contract mechanism was switched to Pacific Northwest National Laboratory (PNNL) Operating Contract DE-AC05-76RL

  6. A merged quadrupole-calorimeter for CEPC

    NASA Astrophysics Data System (ADS)

    Talman, Richard; Hauptman, John

    2016-11-01

    The luminosity ℒ of colliding beams in a storage ring such as CEPC depends strongly on l∗, the half-length of the free space centered on the intersection point (IP). l∗ is also the length from the IP to the front edges of the two near-in quadrupoles that are focusing the counter-circulating beams to the IP spot. The detector length cannot, therefore, exceed 2l∗. Since ℒ increases strongly with decreasing l∗, there is incentive for reducing l∗; but this requires the detector to be shorter than desirable. This paper proposes a method for integrating these adjacent quadrupoles into the particle detector to retain (admittedly degraded) active particle detection of those forward going particles that would otherwise be obscured by the quadrupole. A gently conical quadrupole shape is more natural for merging the quadrupole into the particle detector than is the analytically exact cylindrical shape. This is true whether or not the calorimeter is integrated. It will be the task of accelerator physicists to determine the extent to which deviation from the pure quadrupole field compromises (or improves) accelerator performance. Superficially, both the presence of strongest gradient close to the IP and largest aperture farther from the IP seem to be advantageous. A tentative design for this merged, quadrupole-calorimeter is given.

  7. Peptide profiling of Internet-obtained Cerebrolysin using high performance liquid chromatography - electrospray ionization ion trap and ultra high performance liquid chromatography - ion mobility - quadrupole time of flight mass spectrometry.

    PubMed

    Gevaert, Bert; D'Hondt, Matthias; Bracke, Nathalie; Yao, Han; Wynendaele, Evelien; Vissers, Johannes Petrus Cornelis; De Cecco, Martin; Claereboudt, Jan; De Spiegeleer, Bart

    2015-09-01

    Cerebrolysin, a parenteral peptide preparation produced by controlled digestion of porcine brain proteins, is an approved nootropic medicine in some countries. However, it is also easily and globally available on the Internet. Nevertheless, until now, its exact chemical composition was unknown. Using high performance liquid chromatography (HPLC) coupled to ion trap and ultra high performance liquid chromatography (UHPLC) coupled to quadrupole-ion mobility-time-of-flight mass spectrometry (Q-IM-TOF MS), combined with UniProt pig protein database search and PEAKS de novo sequencing, we identified 638 unique peptides in an Internet-obtained Cerebrolysin sample. The main components in this sample originate from tubulin alpha- and beta-chain, actin, and myelin basic protein. No fragments of known neurotrophic factors like glial cell-derived neurotrophic factor (GDNF), neurotrophin nerve growth factor (NGF), brain-derived neurotrophic factor (BDNF), and ciliary neurotrophic factor (CNTF) were found, suggesting that the activities reported in the literature are likely the result of new, hitherto unknown cryptic peptides with nootropic properties.

  8. Fabricating high-density magnetic storage elements by low-dose ion beam irradiation

    SciTech Connect

    Neb, R.; Sebastian, T.; Pirro, P.; Hillebrands, B.; Pofahl, S.; Schaefer, R.; Reuscher, B.

    2012-09-10

    We fabricate magnetic storage elements by irradiating an antiferromagnetically coupled ferromagnetic/nonmagnetic/ferromagnetic trilayer by a low-dose ion beam. The irradiated areas become ferromagnetically coupled and are capable of storing information if their size is small enough. We employ Fe/Cr/Fe trilayers and a 30 keV focused Ga{sup +}-ion beam to demonstrate the working principle for a storage array with a bit density of 7 Gbit/in.{sup 2}. Micromagnetic simulations suggest that bit densities of at least two magnitudes of order larger should be possible.

  9. Cascade Problems in Some Atomic Lifetime Measurements at a Heavy-Ion Storage Ring

    SciTech Connect

    Trabert, E; Hoffmann, J; Krantz, C; Wolf, A; Ishikawa, Y; Santana, J

    2008-10-09

    Lifetimes of 3s{sup 2}3p{sup k} ground configuration levels of Al-, Si-, P-, and S-like ions of Be, Co, and Ni have been measured at a heavy-ion storage ring. Some of the observed decay curves show strong evidence of cascade repopulation from specific 3d levels that feature lifetimes in the same multi-millisecond range as the levels of the ground configuration.

  10. Quantification of urinary o,o'-dityrosine, a biomarker for oxidative damage to proteins, by high performance liquid chromatography with triple quadrupole tandem mass spectrometry. A comparison with ion-trap tandem mass spectrometry.

    PubMed

    Orhan, Hilmi; Coolen, Stefan; Meerman, John H N

    2005-11-15

    We recently described an isotope dilution reversed-phase liquid chromatography-atmospheric pressure chemical ionization-ion-trap-tandem mass spectrometry (HPLC-APCI-MS/MS) method for the quantitative determination of oxidized amino acids in human urine, including o,o'-dityrosine, a specific marker of protein oxidation. In the present study, we investigated the possibility to use a triple quadrupole instrument for the analysis of this biomarker in urine. The two instruments were compared in terms of sensitivity, specificity and reproducibility. Results showed that the triple quadrupole instrument reaches 2.5-fold higher sensitivity (LOD=0.01 microM) compared to the previously used ion-trap instrument. Precision of the present assay is as follows: in-day variation is 4.6% and inter-day variation is 17%. The currently developed method was applied to a group of smoker urine samples. The mean urinary o,o'-dityrosine concentration was 0.08+/-0.01 microM. Expressed per urinary creatinine concentration, this corresponds to 10.1+/-0.4 micromol/mol creatinine. This is comparable to the previously reported values of 5.8+/-0.3 micromol/mol creatinine in non-smokers night-time urines, and 12.3+/-5 micromol/mol creatinine in day-time urines measured by the ion-trap instrument.

  11. Simultaneous qualitative and quantitative analysis of 21 mycotoxins in Radix Paeoniae Alba by ultra-high performance liquid chromatography quadrupole linear ion trap mass spectrometry and QuEChERS for sample preparation.

    PubMed

    Xing, Yanyan; Meng, Wenting; Sun, Wanyang; Li, Dongxiang; Yu, Zhiguo; Tong, Ling; Zhao, Yunli

    2016-09-15

    A high-throughput method for simultaneous qualitative and quantitative analysis of 21 mycotoxins in Radix Paeoniae Alba (RPA) was developed by coupling the modified QuEChERS method with ultra-high performance liquid chromatography quadrupole linear ion trap mass spectrometry (UHPLC-QqLIT-MS). The 21 mycotoxins were extracted and cleaned up using QuEChERS-based procedure, then further separated on a C18 column and detected by a hybrid triple quadrupole linear ion trap mass spectrometer equipped with electrospray ionization source in the multiple reaction monitoring-information dependent acquisition-enhanced product ion (MRM-IDA-EPI) mode. Under this technique, 13 mycotoxins were detected using acetonitrile and water containing 0.1% formic acid as the mobile phase in positive mode while the other 8 mycotoxins were detected using acetonitrile and water containing 0.1% ammonia as the mobile phase in negative mode. The calibration curves of all analytes showed good linearity (r(2)>0.995) within test ranges. The limits of detection and quantification ranged from 0.031 to 5.4μg/kg and 0.20 to 22μg/kg, respectively. Additionally, recoveries were all above 75.3% with relative standard deviations within 15%. The method proposed herein with significant advantages including simple pretreatment, rapid determination as well as high sensitivity, accuracy and throughput would be a preferred candidate for the determination and quantification of multi-class mycotoxin contaminants in real samples.

  12. Closed orbit response to quadrupole strength variation

    SciTech Connect

    Wolski, Andrzej; Zimmermann, Frank

    2004-01-20

    We derive two formulae relating the variation in closed orbit in a storage ring to variations in quadrupole strength, neglecting nonlinear and dispersive effects. These formulae correct results previously reported [1,2,3]. We compare the results of the formulae applied to the ATF with simulations using MAD, and consider their application to beam-based alignment.

  13. MOF-derived multifractal porous carbon with ultrahigh lithium-ion storage performance

    PubMed Central

    Li, Ang; Tong, Yan; Cao, Bin; Song, Huaihe; Li, Zhihong; Chen, Xiaohong; Zhou, Jisheng; Chen, Gen; Luo, Hongmei

    2017-01-01

    Porous carbon is one of the most promising alternatives to traditional graphite materials in lithium-ion batteries. This is not only attributed to its advantages of good safety, stability and electrical conductivity, which are held by all the carbon-based electrodes, but also especially ascribed to its relatively high capacity and excellent cycle stability. Here we report the design and synthesis of a highly porous pure carbon material with multifractal structures. This material is prepared by the vacuum carbonization of a zinc-based metal-organic framework, which demonstrates an ultrahigh lithium storage capacity of 2458 mAh g−1 and a favorable high-rate performance. The associations between the structural features and the lithium storage mechanism are also revealed by small-angle X-ray scattering (SAXS), especially the closed pore effects on lithium-ion storage. PMID:28074899

  14. MOF-derived multifractal porous carbon with ultrahigh lithium-ion storage performance

    NASA Astrophysics Data System (ADS)

    Li, Ang; Tong, Yan; Cao, Bin; Song, Huaihe; Li, Zhihong; Chen, Xiaohong; Zhou, Jisheng; Chen, Gen; Luo, Hongmei

    2017-01-01

    Porous carbon is one of the most promising alternatives to traditional graphite materials in lithium-ion batteries. This is not only attributed to its advantages of good safety, stability and electrical conductivity, which are held by all the carbon-based electrodes, but also especially ascribed to its relatively high capacity and excellent cycle stability. Here we report the design and synthesis of a highly porous pure carbon material with multifractal structures. This material is prepared by the vacuum carbonization of a zinc-based metal-organic framework, which demonstrates an ultrahigh lithium storage capacity of 2458 mAh g‑1 and a favorable high-rate performance. The associations between the structural features and the lithium storage mechanism are also revealed by small-angle X-ray scattering (SAXS), especially the closed pore effects on lithium-ion storage.

  15. Ion Storage with the High Performance Antiproton Trap (HiPAT)

    NASA Technical Reports Server (NTRS)

    Martin, James; Lewis, Raymond; Chakrabarti, Suman; Pearson, Boise

    2002-01-01

    The matter antimatter reaction represents the densest form of energy storage/release known to modern physics: as such it offers one of the most compact sources of power for future deep space exploration. To take the first steps along this path, NASA-Marshall Space Flight Center is developing a storage system referred to as the High Performance Antiproton Trap (HiPAT) with a goal of maintaining 10(exp 12) particles for up to 18 days. Experiments have been performed with this hardware using normal matter (positive hydrogen ions) to assess the device's ability to hold charged particles. These ions are currently created using an electron gun method to ionize background gas; however, this technique is limited by the quantity that can be captured. To circumvent this issue, an ion source is currently being commissioned which will greatly increase the number of ions captured and more closely simulate actual operations expected at an antiproton production facility. Ions have been produced, stored for various time intervals, and then extracted against detectors to measure species, quantity and energy. Radio frequency stabilization has been tested as a method to prolong ion lifetime: results show an increase in the baseline 1/e lifetime of trapped particles from hours to days. Impurities in the residual background gas (typically carbon-containing species CH4, CO, CO2, etc.) present a continuing problem by reducing the trapped hydrogen population through the mechanism of ion charge exchange.

  16. Recombination and Ionization Measurements at the Heidelberg Heavy Ion Storage Ring TSR

    NASA Astrophysics Data System (ADS)

    Hahn, M.; Lestinsky, M.; Novotný, O.; Savin, D. W.; Bernhardt, D.; Müller, A.; Schippers, S.; Krantz, C.; Grieser, M.; Repnow, R.; Wolf, A.

    2011-05-01

    Knowledge of the charge state distribution (CSD) of astrophysical plasmas is important for the interpretation of spectroscopic data. To accurately calculate CSDs, reliable rate coefficients are needed for dielectronic recombination (DR), which is the dominant electron-ion recombination mechanism for most ions, and for electron impact ionization (EII). We are carrying out DR and EII measurements of astrophysically important ions using the TSR storage ring at the Max-Plank-Institute for Nuclear Physics in Heidelberg, Germany. Storage ring measurements are largely free of the metastable contamination found in other experimental geometries, resulting in more unambiguous DR and EII reaction rate measurements. The measured data can be used in plasma modelling as well as for benchmarking theoretical atomic calculations.

  17. The emerging chemistry of sodium ion batteries for electrochemical energy storage.

    PubMed

    Kundu, Dipan; Talaie, Elahe; Duffort, Victor; Nazar, Linda F

    2015-03-09

    Energy storage technology has received significant attention for portable electronic devices, electric vehicle propulsion, bulk electricity storage at power stations, and load leveling of renewable sources, such as solar energy and wind power. Lithium ion batteries have dominated most of the first two applications. For the last two cases, however, moving beyond lithium batteries to the element that lies below-sodium-is a sensible step that offers sustainability and cost-effectiveness. This requires an evaluation of the science underpinning these devices, including the discovery of new materials, their electrochemistry, and an increased understanding of ion mobility based on computational methods. The Review considers some of the current scientific issues underpinning sodium ion batteries.

  18. An ion-beam injection line for the ELASR storage ring at KACST

    NASA Astrophysics Data System (ADS)

    El Ghazaly, M. O. A.; Behery, S. A.; Almuqhim, A. A.; Almalki, M. H.; Alshammari, S. M.; Alrashdi, A. O.; Alamer, H. S.; Jabr, A. S.; Lanazi, A. Z.

    2016-01-01

    A versatile ion injector beam-line has been developed for the specific use in the multi-purpose low-energy, storage ring facility at the King Abdulaziz City for Sciences and Technology (KACST) in Riyadh, Saudi Arabia. It incorporates a purpose-developed, high-resolution mass analyzing magnet and it is thereby dedicated to provide the ELASR storage ring with beams of ions of specific mass. It is also intended to operate independently as a single-pass experiment. This versatile ion-injection line was constructed in a staged approach, in which an axial injection version was built first, commissioned and is currently operating. The injection line in its final design is now being assembled and commissioned at KACST.

  19. Ion Trapping, Storage, and Ejection in Structures for Lossless Ion Manipulations

    PubMed Central

    Zhang, Xinyu; Garimella, Sandilya V. B.; Prost, Spencer A; Webb, Ian K; Chen, Tsung-Chi; Tang, Keqi; Tohnachev, Aleksey V.; Norheim, Randolph V.; Baker, Erin S.; Anderson, Gordon A; Ibrahim, Yehia M.; Smith, Richard D.

    2015-01-01

    A new Structures for Lossless lon Manipulations (SUM) module, having electrode arrays patterned on a pair of parallel printed circuit boards (PCB), was constructed and utilized to investigate capabilities for ion trapping at a pressure of 4 Torr. Positive ions were confined by application of RF voltages to a series of inner rung electrodes with alternating phase on adjacent electrodes, in conjunction with positive DC potentials on surrounding guard electrodes on each PCB. An axial DC :field was also introduced by stepwise varying the DC potentials applied to the inner rung electrodes to control the ion transport and accumulation inside the ion trapping region. We show that ions can be trapped and accumulated with up to 100% efficiency, stored for at least 5 h with no significant losses, and then could be rapidly ejected from the SUM trap. The present results provide a foundation for the development of much more complex SUM devices that facilitate extended ion manipulations. PMID:25971536

  20. Ion Trapping, Storage, and Ejection in Structures for Lossless Ion Manipulations

    SciTech Connect

    Zhang, Xinyu; Garimella, Venkata BS; Prost, Spencer A.; Webb, Ian K.; Chen, Tsung-Chi; Tang, Keqi; Tolmachev, Aleksey V.; Norheim, Randolph V.; Baker, Erin Shammel; Anderson, Gordon A.; Ibrahim, Yehia M.; Smith, Richard D.

    2015-06-16

    A structure for lossless ion manipulation (SLIM) module was constructed with electrode arrays patterned on a pair of parallel printed circuit boards (PCB) separated by 5 mm and utilized to investigate capabilities for ion trapping at 4 Torr. Positive ions were confined by application of RF having alternating phases on a series of inner rung electrodes and by positive DC potentials on surrounding guard electrodes on each PCB. An axial DC field was also introduced by stepwise varying the DC potential of the inner rung electrodes so as to control the ion transport and accumulation inside the ion trap. We show that ions could be trapped and accumulated with 100% efficiency, stored for at least 5 hours with no losses, and could be rapidly ejected from the SLIM trap.

  1. The double electrostatic ion ring experiment: a unique cryogenic electrostatic storage ring for merged ion-beams studies.

    PubMed

    Thomas, R D; Schmidt, H T; Andler, G; Björkhage, M; Blom, M; Brännholm, L; Bäckström, E; Danared, H; Das, S; Haag, N; Halldén, P; Hellberg, F; Holm, A I S; Johansson, H A B; Källberg, A; Källersjö, G; Larsson, M; Leontein, S; Liljeby, L; Löfgren, P; Malm, B; Mannervik, S; Masuda, M; Misra, D; Orbán, A; Paál, A; Reinhed, P; Rensfelt, K-G; Rosén, S; Schmidt, K; Seitz, F; Simonsson, A; Weimer, J; Zettergren, H; Cederquist, H

    2011-06-01

    We describe the design of a novel type of storage device currently under construction at Stockholm University, Sweden, using purely electrostatic focussing and deflection elements, in which ion beams of opposite charges are confined under extreme high vacuum cryogenic conditions in separate "rings" and merged over a common straight section. The construction of this double electrostatic ion ring experiment uniquely allows for studies of interactions between cations and anions at low and well-defined internal temperatures and centre-of-mass collision energies down to about 10 K and 10 meV, respectively. Position sensitive multi-hit detector systems have been extensively tested and proven to work in cryogenic environments and these will be used to measure correlations between reaction products in, for example, electron-transfer processes. The technical advantages of using purely electrostatic ion storage devices over magnetic ones are many, but the most relevant are: electrostatic elements which are more compact and easier to construct; remanent fields, hysteresis, and eddy-currents, which are of concern in magnetic devices, are no longer relevant; and electrical fields required to control the orbit of the ions are not only much easier to create and control than the corresponding magnetic fields, they also set no upper mass limit on the ions that can be stored. These technical differences are a boon to new areas of fundamental experimental research, not only in atomic and molecular physics but also in the boundaries of these fields with chemistry and biology. For examples, studies of interactions with internally cold molecular ions will be particular useful for applications in astrophysics, while studies of solvated ionic clusters will be of relevance to aeronomy and biology.

  2. Ion Storage Tests with the High Performance Antimatter Trap (HiPAT)

    NASA Technical Reports Server (NTRS)

    Martin, James J.; Lewis, Raymond A.; Chakrabarti, Suman; Pearson, Boise; Schafer, Charles (Technical Monitor)

    2002-01-01

    The NASA/Marshall Space Flight Centers (NASA/MSFC) Propulsion Research Center (PRC) is evaluating an antiproton storage system, referred to as the High Performance Antiproton Trap (HiPAT). This interest stems from the sheer energy represented by matter/antimatter annihilation process with has an energy density approximately 10 order of magnitude above that of chemical propellants. In other terms, one gram of antiprotons contains the equivalent energy of approximately 23 space shuttle external tanks or ET's (each ET contains roughly 740,000 kgs of fuel and oxidizer). This incredible source of stored energy, if harnessed, would be an enabling technology for deep space mission where both spacecraft weight and propulsion performance are key to satisfying aggressive mission requirements. The HiPAT hardware consists of a 4 Tesla superconductor system, an ultra high vacuum test section (vacuum approaching 10(exp -12) torr), and a high voltage confinement electrode system (up to 20 kvolts operation). The current laboratory layout is illustrated. The HiPAT designed objectives included storage of up to 1 trillion antiprotons with corresponding lifetimes approaching 18 days. To date, testing has centered on the storage of positive hydrogen ions produced in situ by a stream of high-energy electrons that passes through the trapping region. However, due to space charge issues and electron beam compression as it passes through the HiPAT central field, current ion production is limited to less then 50,000 ions. Ion lifetime was determined by counting particle populations at the end of various storage time intervals. Particle detection was accomplished by destructively expelling the ions against a micro-channel plate located just outside the traps magnetic field. The effect of radio frequency (RF) stabilization on the lifetime of trapped particles was also examined. This technique, referred to as a rotating wall, made use of a segmented electrode located near the center of the trap

  3. Storage-ring measurements of hyperfine induced transition rates in berylliumlike ions

    SciTech Connect

    Schippers, Stefan

    2013-07-11

    The status of experimental measurements and theoretical calculations of the hyperfine induced 2s2p{sup 3}P{sub 0}{yields}2s{sup 21}S{sub 0} transition rate in Be-like ions is reviewed. Possible reasons, such as external electromagnetic fields and competing E1M1 two-photon transitions, for presently existing significant discrepancies between experiment and theory are discussed. Finally, directions for future research are outlined.

  4. Array of nanosheets render ultrafast and high-capacity Na-ion storage by tunable pseudocapacitance

    PubMed Central

    Chao, Dongliang; Zhu, Changrong; Yang, Peihua; Xia, Xinhui; Liu, Jilei; Wang, Jin; Fan, Xiaofeng; Savilov, Serguei V.; Lin, Jianyi; Fan, Hong Jin; Shen, Ze Xiang

    2016-01-01

    Sodium-ion batteries are a potentially low-cost and safe alternative to the prevailing lithium-ion battery technology. However, it is a great challenge to achieve fast charging and high power density for most sodium-ion electrodes because of the sluggish sodiation kinetics. Here we demonstrate a high-capacity and high-rate sodium-ion anode based on ultrathin layered tin(II) sulfide nanostructures, in which a maximized extrinsic pseudocapacitance contribution is identified and verified by kinetics analysis. The graphene foam supported tin(II) sulfide nanoarray anode delivers a high reversible capacity of ∼1,100 mAh g−1 at 30 mA g−1 and ∼420 mAh g−1 at 30 A g−1, which even outperforms its lithium-ion storage performance. The surface-dominated redox reaction rendered by our tailored ultrathin tin(II) sulfide nanostructures may also work in other layered materials for high-performance sodium-ion storage. PMID:27358085

  5. Soft Landing of Complex Ions for Studies in Catalysis and Energy Storage

    SciTech Connect

    Laskin, Julia; Johnson, Grant E.; Prabhakaran, Venkateshkumar

    2016-10-20

    Immobilization of complex molecules and clusters on supports plays an important role in a variety of disciplines including materials science, catalysis and biochemistry. In particular, deposition of clusters on surfaces has attracted considerable attention due to their non-scalable, highly size-dependent properties. The ability to precisely control the composition and morphology of clusters and small nanoparticles on surfaces is crucial for the development of next generation materials with rationally tailored properties. Soft- and reactive landing of ions onto solid or liquid surfaces introduces unprecedented selectivity into surface modification by completely eliminating the effect of solvent and sample contamination on the quality of the film. The ability to select the mass-to-charge ratio of the precursor ion, its kinetic energy and charge state along with precise control of the size, shape and position of the ion beam on the deposition target makes soft-landing an attractive approach for surface modification. High-purity uniform thin films on surfaces generated using mass-selected ion deposition facilitate understanding of critical interfacial phenomena relevant to catalysis, energy generation and storage, and materials science. Our efforts have been directed toward understanding charge retention by soft-landed metal and metal-oxide cluster ions, which may affect both their structure and reactivity. Specifically, we have examined the effect of the surface on charge retention by both positively and negatively charged cluster ions. We found that the electronic properties of the surface play an important role in charge retention by cluster cations. Meanwhile, the electron binding energy is a key factor determining charge retention by cluster anions. These findings provide the scientific foundation for the rational design of interfaces for advanced catalysts and energy storage devices. Further optimization of electrode-electrolyte interfaces for applications in

  6. Rapid and sensitive determination of major polyphenolic components in Euphoria longana Lam. seeds using matrix solid-phase dispersion extraction and UHPLC with hybrid linear ion trap triple quadrupole mass spectrometry.

    PubMed

    Rathore, Atul S; Sathiyanarayanan, L; Deshpande, Shreekant; Mahadik, Kakasaheb R

    2016-11-01

    A rapid and sensitive method for the extraction and determination of four major polyphenolic components in Euphoria longana Lam. seeds is presented for the first time based on matrix solid-phase dispersion extraction followed by ultra high performance liquid chromatography with hybrid triple quadrupole linear ion trap mass spectrometry. Matrix solid-phase dispersion method was designed for the extraction of Euphoria longana seed constituents and compared with microwave-assisted extraction and ultrasonic-assisted extraction methods. An Ultra high performance liquid chromatography with hybrid triple quadrupole linear ion-trap mass spectrometry method was developed for quantitative analysis in multiple-reaction monitoring mode in negative electrospray ionization. The chromatographic separation was accomplished using an ACQUITY UPLC BEH C18 (2.1 mm × 50 mm, 1.7 μm) column with gradient elution of 0.1% aqueous formic acid and 0.1% formic acid in acetonitrile. The developed method was validated with acceptable linearity (r(2) > 0.999), precision (RSD ≤ 2.22%) and recovery (RSD ≤ 2.35%). The results indicated that matrix solid-phase dispersion produced comparable extraction efficiency compared with other methods nevertheless was more convenient and time-saving with reduced requirements on sample and solvent volumes. The proposed method is rapid and sensitive in providing a promising alternative for extraction and comprehensive determination of active components for quality control of Euphoria longana products.

  7. Biologically derived melanin electrodes in aqueous sodium-ion energy storage devices

    PubMed Central

    Kim, Young Jo; Wu, Wei; Chun, Sang-Eun; Whitacre, Jay F.; Bettinger, Christopher J.

    2013-01-01

    Biodegradable electronics represents an attractive and emerging paradigm in medical devices by harnessing simultaneous advantages afforded by electronically active systems and obviating issues with chronic implants. Integrating practical energy sources that are compatible with the envisioned operation of transient devices is an unmet challenge for biodegradable electronics. Although high-performance energy storage systems offer a feasible solution, toxic materials and electrolytes present regulatory hurdles for use in temporary medical devices. Aqueous sodium-ion charge storage devices combined with biocompatible electrodes are ideal components to power next-generation biodegradable electronics. Here, we report the use of biologically derived organic electrodes composed of melanin pigments for use in energy storage devices. Melanins of natural (derived from Sepia officinalis) and synthetic origin are evaluated as anode materials in aqueous sodium-ion storage devices. Na+-loaded melanin anodes exhibit specific capacities of 30.4 ± 1.6 mAhg−1. Full cells composed of natural melanin anodes and λ-MnO2 cathodes exhibit an initial potential of 1.03 ± 0.06 V with a maximum specific capacity of 16.1 ± 0.8 mAhg−1. Natural melanin anodes exhibit higher specific capacities compared with synthetic melanins due to a combination of beneficial chemical, electrical, and physical properties exhibited by the former. Taken together, these results suggest that melanin pigments may serve as a naturally occurring biologically derived charge storage material to power certain types of medical devices. PMID:24324163

  8. Biologically derived melanin electrodes in aqueous sodium-ion energy storage devices.

    PubMed

    Kim, Young Jo; Wu, Wei; Chun, Sang-Eun; Whitacre, Jay F; Bettinger, Christopher J

    2013-12-24

    Biodegradable electronics represents an attractive and emerging paradigm in medical devices by harnessing simultaneous advantages afforded by electronically active systems and obviating issues with chronic implants. Integrating practical energy sources that are compatible with the envisioned operation of transient devices is an unmet challenge for biodegradable electronics. Although high-performance energy storage systems offer a feasible solution, toxic materials and electrolytes present regulatory hurdles for use in temporary medical devices. Aqueous sodium-ion charge storage devices combined with biocompatible electrodes are ideal components to power next-generation biodegradable electronics. Here, we report the use of biologically derived organic electrodes composed of melanin pigments for use in energy storage devices. Melanins of natural (derived from Sepia officinalis) and synthetic origin are evaluated as anode materials in aqueous sodium-ion storage devices. Na(+)-loaded melanin anodes exhibit specific capacities of 30.4 ± 1.6 mAhg(-1). Full cells composed of natural melanin anodes and λ-MnO2 cathodes exhibit an initial potential of 1.03 ± 0.06 V with a maximum specific capacity of 16.1 ± 0.8 mAhg(-1). Natural melanin anodes exhibit higher specific capacities compared with synthetic melanins due to a combination of beneficial chemical, electrical, and physical properties exhibited by the former. Taken together, these results suggest that melanin pigments may serve as a naturally occurring biologically derived charge storage material to power certain types of medical devices.

  9. Simulation of Duty Cycle-Based Trapping and Ejection of Massive Ions Using Linear Digital Quadrupoles: the Enabling Technology for High Resolution Time-of-Flight Mass Spectrometry in the Ultra High Mass Range.

    PubMed

    Lee, Jeonghoon; Marino, Maxwell A; Koizumi, Hideya; Reilly, Peter T A

    2011-06-15

    Duty cycle-based trapping and extraction processes have been investigated for linear digitally-driven multipoles by simulating ion trajectories. The duty cycles of the applied waveforms were adjusted so that an effective trapping or ejection electric field was created between the rods and the grounded end cap electrodes. By manipulating the duty cycles of the waveforms, the potentials of the multipole rods can be set equal for part of the waveform cycle. When all rods are negative for this period, the device traps positive ions and when all are positive, it ejects them in focused trajectories. Four Linac II electrodes[1] have been added between the quadrupole rods along the asymptotes to create an electric field along the symmetry axis for collecting the ions near the exit end cap electrode and prompt ejection. This method permits the ions to be collected and then ejected in a concentrated and collimated plug into the acceleration region of a time-of-flight mass spectrometer (TOFMS). Our method has been shown to be independent of mass. Because the resolution of orthogonal acceleration TOFMS depends primarily on the dispersion of the ions injected into the acceleration region and not on the ion mass, this technology will enable high resolution in the ultrahigh mass range (m/z > 20,000).

  10. Simulation of Duty Cycle-Based Trapping and Ejection of Massive Ions Using Linear Digital Quadrupoles: the Enabling Technology for High Resolution Time-of-Flight Mass Spectrometry in the Ultra High Mass Range

    PubMed Central

    Lee, Jeonghoon; Marino, Maxwell A.; Koizumi, Hideya; Reilly, Peter T. A.

    2011-01-01

    Duty cycle-based trapping and extraction processes have been investigated for linear digitally-driven multipoles by simulating ion trajectories. The duty cycles of the applied waveforms were adjusted so that an effective trapping or ejection electric field was created between the rods and the grounded end cap electrodes. By manipulating the duty cycles of the waveforms, the potentials of the multipole rods can be set equal for part of the waveform cycle. When all rods are negative for this period, the device traps positive ions and when all are positive, it ejects them in focused trajectories. Four Linac II electrodes[1] have been added between the quadrupole rods along the asymptotes to create an electric field along the symmetry axis for collecting the ions near the exit end cap electrode and prompt ejection. This method permits the ions to be collected and then ejected in a concentrated and collimated plug into the acceleration region of a time-of-flight mass spectrometer (TOFMS). Our method has been shown to be independent of mass. Because the resolution of orthogonal acceleration TOFMS depends primarily on the dispersion of the ions injected into the acceleration region and not on the ion mass, this technology will enable high resolution in the ultrahigh mass range (m/z > 20,000). PMID:21731427

  11. Ionization and Recombination Measurements at the Heidelberg Heavy Ion Storage Ring TSR

    NASA Astrophysics Data System (ADS)

    Savin, D. W.; Hahn, M.; Lestinsky, M.; Novonty, O.; Bernhardt, D.; Mueller, A.; Schippers, S.; Krantz, C.; Wolf, A.

    2011-05-01

    Reliable ionization balance calculations are needed to analyze spectra from a wide range of cosmic sources including photoionized objects such as AGNs and X-ray binaries and electron ionized objects such as as stars, supernovae, galaxies, and clusters of galaxies. These theoretical charge state distributions (CSD) depend in turn upon the underlying atomic data. Of particular importance are reliable rate coefficients for dielectronic recombination (DR), which is the dominant electron-ion recombination recombination mechanism for most ions, and for electron impact ionization (EII). We are carrying out DR and EII measurements of astrophysically important ions using the heavy ion Test Storage Ring (TSR) at the Max-Plank-Institute for Nuclear Physics in Heidelberg, Germany. The storage ring measurements are largely free of the metastable contamination found in other experimental geometries. Storage ring measurements therefore result in more precise DR and EII reaction rate measurements. The measured rate coefficients can be used in modeling cosmic and laboratory plasmas as well as in the benchmarking of theoretical atomic calculations. Here we report results for selected recent DR and EII measurements.

  12. Recombination and Ionization Measurements at the Heidelberg Heavy Ion Storage Ring TSR

    NASA Astrophysics Data System (ADS)

    Hahn, Michael; Bernhardt, D.; Krantz, C.; Lestinsky, M.; Mueller, A.; Novotny, O.; Schippers, S.; Wolf, A.; Savin, D. W.

    2010-03-01

    Reliable ionization balance calculations are needed to analyze spectra from a wide range of cosmic sources including photoionized objects such as AGNs and X-ray binaries and electron ionized objects such as as stars, supernovae, galaxies, and clusters of galaxies. These theoretical charge state distributions (CSD) depend in turn upon the underlying atomic data. Of particular importance are reliable rate coefficients for dielectronic recombination (DR), which is the dominant electron-ion recombination recombination mechanism for most ions, and for electron impact ionzation (EII). We are carrying out DR and EII measurements of astrophysically important ions using the heavy ion Test Storage Ring (TSR) at the Max-Plank-Insitute for Nuclear Physics in Heidelberg, Germany. The storage ring measurements are largely free of the metastable contamination found in other experimental geometries. Storage ring measurements therefore result in more precise DR and EII reaction rate measurements. The measured rate coefficients can be used in plasma modelling as well as in the benchmarking of theoretical atomic calculations. Here we report recent DR and EII measurements of Mg VIII and Fe XII.

  13. Simulation of capacity loss in carbon electrode for lithium-ion cells during storage

    NASA Astrophysics Data System (ADS)

    Ramasamy, Ramaraja P.; Lee, Jong-Won; Popov, Branko N.

    A mathematical model was developed which simulates the self-discharge capacity losses in the carbon anode for a SONY 18650 lithium-ion battery. The model determines the capacity loss during storage on the basis of a continuous reduction of organic solvent and de-intercalation of lithium at the carbon/electrolyte interface. The state of charge, open circuit potential, capacity loss and film resistance on the carbon electrode were calculated as a function of storage time using different values of rate constant governing the solvent reduction reaction.

  14. Superconducting magnetic quadrupole

    SciTech Connect

    Kim, J.W.; Shepard, K.W.; Nolen, J.A.

    1995-08-01

    A design was developed for a 350 T/m, 2.6-cm clear aperture superconducting quadrupole focussing element for use in a very low q/m superconducting linac as discussed below. The quadrupole incorporates holmium pole tips, and a rectangular-section winding using standard commercially-available Nb-Ti wire. The magnet was modeled numerically using both 2D and 3D codes, as a basis for numerical ray tracing using the quadrupole as a linac element. Components for a prototype singlet are being procured during FY 1995.

  15. The cost of lithium is unlikely to upend the price of Li-ion storage systems

    NASA Astrophysics Data System (ADS)

    Ciez, Rebecca E.; Whitacre, J. F.

    2016-07-01

    As lithium ion batteries become more common in electric vehicles and other storage applications, concerns about the cost of their namesake material, and its impact on the cost of these batteries, will continue. However, examining the constituent materials of these devices shows that lithium is a relatively small contributor to both the battery mass and manufacturing cost. The use of more expensive lithium precursor materials results in less than 1% increases in the cost of lithium ion cells considered. Similarly, larger fluctuations in the global lithium price (from 0 to 25/kg from a baseline of 7.50 per kg of Li2CO3) do not change the cost of lithium ion cells by more than 10%. While this small cost increase will not have a substantial impact on consumers, it could affect the manufacturers of these lithium ion cells, who already operate with small profit margins.

  16. The Heidelberg test storage ring for heavy ions and its use for atomic physics

    SciTech Connect

    Schuch, R.

    1986-11-01

    A brief description of the Heavy-Ion Test Storage Ring (TSR) presently being built at the Max-Planck Institut in Heidelberg is given. It will be able to store ions injected from the tandem postaccelerator combination up to about 30 MeV/nucleon for a charge to mass ratio of 0.5. One of the main purposes of the TSR will be the study of electron cooling. Some atomic physics experiments are discussed using the electron cooling device which provides an electron-ion collision facility with good energy resolution and ion beams of high currents and low emittances. Here the possibilities for measurements of spontaneous and laser-induced radiative recombination and dielectronic recombination in the electron cooling section are discussed.

  17. SUPERCONDUCTING QUADRUPOLE ARRAYS FOR MULTIPLE BEAM TRANSPORT

    SciTech Connect

    Rainer Meinke Carl Goodzeit Penny Ball Roger Bangerter

    2003-10-01

    The goal of this research was to develop concepts for affordable, fully functional arrays of superconducting quadrupoles for multi-beam transport and focusing in heavy ion fusion (HIF)accelerators. Previous studies by the Virtual National Laboratory (VNL) collaboration have shown that the multi-beam transport system (consisting of alternating gradient quadrupole magnets, a beam vacuum system, and the beam monitor and control system) will likely be one of the most expensive and critical parts of such an accelerator. This statement is true for near-term fusion research accelerators as well as accelerators for the ultimate goal of power production via inertial fusion. For this reason, research on superconducting quadrupole arrays is both timely and important for the inertial fusion energy (IFE) research program. This research will also benefit near-term heavy ion fusion facilities such as the Integrated Research Experiment (IRE)and/or the Integrated Beam Experiment (IBX). We considered a 2-prong approach that addresses the needs of both the nearer and longer term requirements of the inertial fusion program. First, we studied the flat coil quadrupole design that was developed by LLNL; this magnet is 150 mm long with a 50 mm aperture and thus is suitable for near term experiments that require magnets of a small length to aperture ratio. Secondly, we studied the novel double-helix quadrupole (DHQ) design in a small (3 x 3) array configuration; this design can provide an important step to the longer term solution of low-cost, easy to manufacture array constructions. Our Phase I studies were performed using the AMPERES magnetostatic analysis software. Consideration of these results led to plans for future magnet R&D construction projects. The first objective of Phase I was to develop the concept of a superconducting focusing array that meets the specific requirements of a heavy ion fusion accelerator. Detailed parameter studies for such quadrupole arrays were performed

  18. Ion-implanted PLZT ceramics - A new high-sensitivity image storage medium

    NASA Astrophysics Data System (ADS)

    Peercy, P. S.; Land, C. E.

    1981-06-01

    Studies of photoferroelectric (PFE) image storage in H, He, and Ar, and more recently, Ar + Ne implanted PLZT reveal that the photosensitivity can be significantly increased by ion implantation into the image storage surface. For example, the photosensitivity after coimplantation of Ar + Ne is increased by about four orders of magnitude over that of unimplanted PLZT. The increase in photosensitivity is controlled by implantation-produced disorder which results in marked decreases in dark conductivity and dielectric constant and changes in the effective photoconductivity of the implanted layer. In this paper the effects of Ar and Ar + Ne implantation are presented along with a phenomenological model which describes the photosensitivity enhancement obtained by ion implantation.

  19. Long-Lasting Nb2O5-Based Nanocomposite Materials for Li-Ion Storage.

    PubMed

    Song, Min Yeong; Kim, Na Rae; Yoon, Hyeon Ji; Cho, Se Youn; Jin, Hyoung-Joon; Yun, Young Soo

    2017-01-25

    Advanced nanostructured hybrid materials can help us overcome the electrochemical performance limitations of current energy storage devices. In this study, three-dimensional porous carbon nanowebs (3D-CNWs) with numerous included orthorhombic Nb2O5 (T-Nb2O5) nanoparticles were fabricated using a microbe-derived nanostructure. The 3D-CNW/T-Nb2O5 nanocomposites showed an exceptionally stable long-term cycling performance over 70 000 cycles, a high reversible capacity of ∼125 mA h g(-1), and fast Li-ion storage kinetics in a coin-type two-electrode system using Li metal. In addition, energy storage devices based on the above nanocomposites achieved a high specific energy of ∼80 W h kg(-1) together with a high specific power of ∼5300 W kg(-1) and outstanding cycling performance with ∼80% capacitance retention after 35 000 cycles.

  20. Unraveling the storage mechanism in organic carbonyl electrodes for sodium-ion batteries

    PubMed Central

    Wu, Xiaoyan; Jin, Shifeng; Zhang, Zhizhen; Jiang, Liwei; Mu, Linqin; Hu, Yong-Sheng; Li, Hong; Chen, Xiaolong; Armand, Michel; Chen, Liquan; Huang, Xuejie

    2015-01-01

    Organic carbonyl compounds represent a promising class of electrode materials for secondary batteries; however, the storage mechanism still remains unclear. We take Na2C6H2O4 as an example to unravel the mechanism. It consists of alternating Na-O octahedral inorganic layer and π-stacked benzene organic layer in spatial separation, delivering a high reversible capacity and first coulombic efficiency. The experiment and calculation results reveal that the Na-O inorganic layer provides both Na+ ion transport pathway and storage site, whereas the benzene organic layer provides electron transport pathway and redox center. Our contribution provides a brand-new insight in understanding the storage mechanism in inorganic-organic layered host and opens up a new exciting direction for designing new materials for secondary batteries. PMID:26601260

  1. Utility-Scale Lithium-Ion Storage Cost Projections for Use in Capacity Expansion Models

    SciTech Connect

    Cole, Wesley J.; Marcy, Cara; Krishnan, Venkat K.; Margolis, Robert

    2016-11-21

    This work presents U.S. utility-scale battery storage cost projections for use in capacity expansion models. We create battery cost projections based on a survey of literature cost projections of battery packs and balance of system costs, with a focus on lithium-ion batteries. Low, mid, and high cost trajectories are created for the overnight capital costs and the operating and maintenance costs. We then demonstrate the impact of these cost projections in the Regional Energy Deployment System (ReEDS) capacity expansion model. We find that under reference scenario conditions, lower battery costs can lead to increased penetration of variable renewable energy, with solar photovoltaics (PV) seeing the largest increase. We also find that additional storage can reduce renewable energy curtailment, although that comes at the expense of additional storage losses.

  2. Surface structure and Li-ion energy storage of two-dimensional ``MXene'' transition metal carbides

    NASA Astrophysics Data System (ADS)

    Kent, Paul; Xie, Yu; Naguib, Michael; Gogotsi, Yury

    2014-03-01

    Recently, a new class of two-dimensional early transition metal carbides and carbonitrides, the so-called MXenes, has been synthesized by extracting the ``A'' element from MAX phases. The as synthesized MXene surface is terminated by O, OH and/or F. Experiments have demonstrated that MXenes (Ti2C, V2C, Nb2C, Ti3C2...) are promising anode materials for lithium ion batteries and well as supercapacitors, delivering high storage capacity and good rate performance. However, the mechanism of Li-ion storage on MXene surfaces is not clear. In this work, we have investigated the role of surface structure on Li-ion storage of MXenes by extensive density functional calculations. The Li capacity of MXenes is strongly dependent on the type of surface functional group, where O termination has the highest theoretical Li capacity. We discuss how these surfaces can be produced, and propose a mechanism to explain the highest measured Li capacities. Supported by the Fluid Interface Reactions, Structures and Transport Center, an Energy Frontier Research Center funded by the U.S. Department of Energy, Office of Science, Basic Energy Sciences

  3. Sodium-ion hybrid electrolyte battery for sustainable energy storage applications

    NASA Astrophysics Data System (ADS)

    Senthilkumar, S. T.; Abirami, Mari; Kim, Junsoo; Go, Wooseok; Hwang, Soo Min; Kim, Youngsik

    2017-02-01

    Sustainable, safe, and low-cost energy storage systems are essential for large-scale electrical energy storage. Herein, we report a sodium (Na)-ion hybrid electrolyte battery with a replaceable cathode system, which is separated from the Na metal anode by a Na superionic conducting ceramic. By using a fast Na-ion-intercalating nickel hexacyanoferrate (NiHCF) cathode along with an eco-friendly seawater catholyte, we demonstrate good cycling performance with an average discharge voltage of 3.4 V and capacity retention >80% over 100 cycles and >60% over 200 cycle. Remarkably, such high capacity retention is observed for both the initial as well as replaced cathodes. Moreover, a Na-metal-free hybrid electrolyte battery containing hard carbon as the anode exhibits an energy density of ∼146 Wh kg-1 at a current density of 10 mA g-1, which is comparable to that of lead-acid batteries and much higher than that of conventional aqueous Na-ion batteries. These results pave the way for further advances in sustainable energy storage technology.

  4. Analysis of S-adenosylmethionine and related sulfur metabolites in bacterial isolates of Pseudomonas aeruginosa (BAA-47) by liquid chromatography/electrospray ionization coupled to a hybrid linear quadrupole ion trap and Fourier transform ion cyclotron resonance mass spectrometry.

    PubMed

    Cataldi, Tommaso R I; Bianco, Giuliana; Abate, Salvatore; Mattia, Daniela

    2009-11-01

    A comprehensive and highly selective method for detecting in bacterial supernatants a modified sulfur nucleoside, S-adenosyl-L-methionine (SAM), and its metabolites, i.e., S-adenosylhomocysteine (SAH), adenosine (Ado), 5'-deoxy-5'-methylthioadenosine (MTA), adenine (Ade), S-adenosyl-methioninamine (dcSAM), homocysteine (Hcy) and methionine (Met), was developed. The method is based on reversed-phase liquid chromatography with positive electrospray ionization (ESI+) coupled to a hybrid linear quadrupole ion trap (LTQ) and 7-T Fourier transform ion cyclotron resonance mass spectrometry (FTICRMS). A gradient elution was employed with a binary solvent of 0.05 M ammonium formate at pH 4 and acetonitrile. The assay involves a simultaneous cleanup of cell-free bacterial broths by solid-phase extraction and trace enrichment of metabolites with a 50-fold concentration factor by using immobilized phenylboronic and anion-exchange cartridges. While the quantitative determination of SAM was performed using stable-isotope-labeled SAM-d3 as an internal standard, in the case of Met and Ade, Met-13C and Ade-15N2 were employed as isotope-labeled internal standards, respectively. This method enabled the identification of SAM and its metabolites in cell-free culture of Pseudomonas aeruginosa grown in Davis minimal broth (formulation without sulphur organic compounds), with routine sub-ppm mass accuracies (-0.27 +/- 0.68 ppm). The resulting contents of S(C)S(S)-SAM, S(S)-dcSAM, MTA, Ado and Met in the free-cell supernatant of P. aeruginosa was 56.4 +/- 2.1 nM, 32.2 +/- 2.2 nM, 0.91 +/- 0.10 nM, 19.6 +/- 1.2 nM and 1.93 +/- 0.02 microM (mean +/- SD, n = 4 extractions), respectively. We report also the baseline separation (Rs > or = 1.5) of both diastereoisomeric forms of SAM (S(C)S(S) and S(C)R(S)) and dcSAM (S(S) and R(S)), which can be very useful to establish the relationship between the biologically active versus the inactive species, S(C)S(S)/S(C)R(S) and S(S)/R(S) of SAM and dc

  5. Metabolic profile of naringenin in the stomach and colon using liquid chromatography/electrospray ionization linear ion trap quadrupole-Orbitrap-mass spectrometry (LC-ESI-LTQ-Orbitrap-MS) and LC-ESI-MS/MS.

    PubMed

    Orrego-Lagarón, Naiara; Vallverdú-Queralt, Anna; Martínez-Huélamo, Miriam; Lamuela-Raventos, Rosa M; Escribano-Ferrer, Elvira

    2016-02-20

    Several biological activities (antioxidant, anti-inflammatory, anticarcinogenic) are attributed to naringenin (NAR)-a predominant flavonoid of citrus fruit and tomato-despite its low bioavailability after ingestion. NAR undergoes extensive metabolism when crossing the gastrointestinal tract, resulting in enteric, hepatic and microbial metabolites, some of them with recognized beneficial effects on human health. This study sought to provide new insights into the metabolism of NAR in regions of the gastrointestinal tract where it has been less studied: the stomach and colon. With this purpose, liquid chromatography coupled with an electrospray ionization hybrid linear ion trap quadrupole Orbitrap mass spectrometry technique (LC-ESI-LTQ-Orbitrap-MS) was used for an accurate identification of NAR metabolites, and liquid chromatography/electrospray ionization tandem mass spectrometry (LC-ESI-MS/MS) on a triple quadrupole was used for their identification and quantification. The combination of both analytical techniques provided a broader metabolic profile of NAR. As far as we know, this is the first in-depth metabolic profiling study of NAR in the stomach of mice. Three of the metabolites determined using the LC-LTQ-Orbitrap could not be identified by LC-ESI-MS/MS in stomach perfusion samples: apigenin, 3-(4-hydroxyphenyl) propionic acid and phloroglucinol. The number of colonic metabolites determined using the LTQ-Orbitrap-MS was more than twice the number identified by LC-ESI-MS/MS.

  6. Recombination and Ionization Measurements at the Heidelberg Heavy Ion Storage Ring TSR

    NASA Astrophysics Data System (ADS)

    Lestinsky, Michael; Lukic, D.; Savin, D. W.; Hoffmann, J.; Krantz, C.; Orlov, D. A.; Wolf, A.; Bernhardt, D.; Borovyk, O.; Schmidt, E. W.; Yu, D.; Schippers, S.; Müller, A.; Badnell, N. R.

    2008-05-01

    Much of our knowledge of the universe rests on our ability to interpret spectra collected from various cosmic sources. This analysis requires reliably understanding the underlying charge state distribution (CSD) for the observed gas. In turn, this depends on accurate rate coefficients for dielectronic recombination (DR) and electron impact ionization (EII), which play important roles in determining the CSD for a wide range of cosmic objects. To address these needs we have an ongoing experimental program carrying out DR and EII measurements for astrophysically important ions of cosmically abundant elements. Measurements are performed using the heavy-ion Test Storage Ring (TSR) at the Max-Plank-Institute for Nuclear Physics in Heidelberg, Germany. Storage rings are currently the only laboratory method capable of studying the astrophysically relevant DR channels for the majority of cosmically important ions. They are also the only method capable of studying EII using beams of ions with multiple electrons in the valence shell which are free of metastable contamination, allowing for unambiguous EII laboratory data. We use our results to produce rate coefficients for plasma modelling. We are also providing our data to atomic theorist to benchmark their calculations. Here we report our recent results for DR measurements of Fe XI and Fe X and show an early status report on the analysis of recent EII measurements of C IV, C V and O IV. This work has been supported in part by NASA, the German Federal Ministry for Education and Research, and the German Research Council.

  7. Redox-assisted Li+-storage in lithium-ion batteries

    NASA Astrophysics Data System (ADS)

    Qizhao, Huang; Qing, Wang

    2016-01-01

    Interfacial charge transfer is the key kinetic process dictating the operation of lithium-ion battery. Redox-mediated charge propagations of the electronic (e- and h+) and ionic species (Li+) at the electrode-electrolyte interface have recently gained increasing attention for better exploitation of battery materials. This article briefly summarises the energetic and kinetic aspects of lithium-ion batteries, and reviews the recent progress on various redox-assisted Li+ storage approaches. From molecular wiring to polymer wiring and from redox targeting to redox flow lithium battery, the role of redox mediators and the way of the redox species functioning in lithium-ion batteries are discussed. Project supported by the National Research Foundation, Prime Minister’s Office, Singapore under its Competitive Research Program (CRP Award No. NRF-CRP8-2011-04).

  8. Tuning the Solid Electrolyte Interphase for Selective Li- and Na-Ion Storage in Hard Carbon.

    PubMed

    Soto, Fernando A; Yan, Pengfei; Engelhard, Mark H; Marzouk, Asma; Wang, Chongmin; Xu, Guiliang; Chen, Zonghai; Amine, Khalil; Liu, Jun; Sprenkle, Vincent L; El-Mellouhi, Fedwa; Balbuena, Perla B; Li, Xiaolin

    2017-03-07

    Solid-electrolyte interphase (SEI) films with controllable properties are highly desirable for improving battery performance. In this paper, a combined experimental and theoretical approach is used to study SEI films formed on hard carbon in Li- and Na-ion batteries. It is shown that a stable SEI layer can be designed by precycling an electrode in a desired Li- or Na-based electrolyte, and that ionic transport can be kinetically controlled. Selective Li- and Na-based SEI membranes are produced using Li- or Na-based electrolytes, respectively. The Na-based SEI allows easy transport of Li ions, while the Li-based SEI shuts off Na-ion transport. Na-ion storage can be manipulated by tuning the SEI layer with film-forming electrolyte additives, or by preforming an SEI layer on the electrode surface. The Na specific capacity can be controlled to < 25 mAh g(-1) ; ≈ 1/10 of the normal capacity (250 mAh g(-1) ). Unusual selective/preferential transport of Li ions is demonstrated by preforming an SEI layer on the electrode surface and corroborated with a mixed electrolyte. This work may provide new guidance for preparing good ion-selective conductors using electrochemical approaches.

  9. A targeted strategy to analyze untargeted mass spectral data: Rapid chemical profiling of Scutellaria baicalensis using ultra-high performance liquid chromatography coupled with hybrid quadrupole orbitrap mass spectrometry and key ion filtering.

    PubMed

    Qiao, Xue; Li, Ru; Song, Wei; Miao, Wen-juan; Liu, Jia; Chen, Hu-biao; Guo, De-an; Ye, Min

    2016-04-08

    Structural identification of natural products by tandem mass spectrometry requires laborious spectral analysis. Herein, we report a targeted post-acquisition data processing strategy, key ion filtering (KIF), to analyze untargeted mass spectral data. This strategy includes four steps: (1) untargeted data acquisition by ultra-high performance liquid chromatography coupled with hybrid quadrupole orbitrap mass spectrometry (UHPLC/orbitrap-MS); (2) construction of a key ion database according to diagnostic MS/MS fragmentations and conservative substructures of natural compounds; (3) high-resolution key ion filtering of the acquired data to recognize substructures; and (4) structural identification of target compounds by analyzing their MS/MS spectra. The herbal medicine Huang-Qin (Scutellaria baicalensis Georgi) was used to illustrate this strategy. Its extract was separated within 20 min on a C18 column (1.8 μm, 2.1×150 mm) eluted with acetonitrile, methanol, and water containing 0.1% formic acid. The compounds were detected in the (-)-ESI mode, and their MS/MS spectra were recorded in the untargeted manner. Key ions were then filtered from the LC/MS data to recognize flavones, flavanones, O-/C-glycosides, and phenylethanoid glycosides. Finally, a total of 132 compounds were identified from Huang-Qin, and 59 of them were reported for the first time. This study provides an efficient data processing strategy to rapidly profile the chemical constituents of complicated herbal extracts.

  10. Correcting Quadrupole Roll in Magnetic Lenses with Skew Quadrupoles

    SciTech Connect

    Walstrom, Peter Lowell

    2014-11-10

    Quadrupole rolls (i.e. rotation around the magnet axis) are known to be a significant source of image blurring in magnetic quadrupole lenses. These rolls may be caused by errors in mechanical mounting of quadrupoles, by uneven radiation-induced demagnetization of permanent-magnet quadrupoles, etc. Here a four-quadrupole ×10 lens with so-called ”Russian” or A -B B-A symmetry is used as a model problem. Existing SLAC 1/2 in. bore high-gradient quadrupoles are used in the design. The dominant quadrupole roll effect is changes in the first-order part of the transfer map (the R matrix) from the object to the image plane (Note effects on the R matrix can be of first order in rotation angle for some R-matrix elements and second order in rotation angle for other elements, as shown below). It is possible to correct roll-induced image blur by mechanically adjusting the roll angle of one or more of the quadrupoles. Usually, rotation of one quadrupole is sufficient to correct most of the combined effect of rolls in all four quadrupoles. There are drawbacks to this approach, however, since mechanical roll correction requires multiple entries into experimental area to make the adjustments, which are made according to their effect on images. An alternative is to use a single electromagnetic skew quadrupole corrector placed either between two of the quadrupoles or after the fourth quadrupole (so-called “non-local” correction). The basic feasibility of skew quadrupole correction of quadrupole roll effects is demonstrated here. Rolls of the third lens quadrupole of up to about 1 milliradian can be corrected with a 15 cm long skew quadrupole with a gradient of up to 1 T/m. Since the effect of rolls of the remaining three lens quadrupoles are lower, a weaker skew quadrupole can be used to correct them. Non-local correction of quadrupole roll effects by skew quadrupoles is shown to be about one-half as effective as local correction (i.e. rotating individual quadrupoles to zero

  11. Structural characterization of product ions of regulated veterinary drugs by electrospray ionization and quadrupole time-of-flight mass spectrometry (part 3) Anthelmintics, thyreostats, and flukicides

    Technology Transfer Automated Retrieval System (TEKTRAN)

    RATIONALE: Previously we have reported a liquid chromatography tandem mass spectrometry method for the identification and quantification of regulated veterinary drugs. The methods used three selected transition ions but most of these ions lacked structural characterization. The work presented here ...

  12. Characterization of the chemical constituents in Da-Huang-Gan-Cao-Tang by liquid chromatography coupled with quadrupole time-of-flight tandem mass spectrometry and liquid chromatography coupled with ion trap mass spectrometry.

    PubMed

    Wang, Shufang; Chen, Pinghong; Xu, Yimin; Li, Xiaodong; Fan, Xiaohui

    2014-07-01

    In this work, the chemical constituents in Da-Huang-Gan-Cao-Tang, a traditional Chinese formula, were studied by liquid chromatography coupled with quadrupole time-of-flight tandem mass spectrometry and liquid chromatography coupled with ion trap mass spectrometry for the first time. Among the 146 compounds detected in Da-Huang-Gan-Cao-Tang, 104 compounds were identified unambiguously or tentatively based on their accurate molecular weight and multistage MS data, including one potential novel compound and two reported in Glycyrrhiza genus for the first time. The possible fragmentation pathways were proposed and fragmentation rules of the major types of compounds were concluded. This study provided an example to facilitate the tedious identification of chemical composition in traditional Chinese medicine, and maybe a promising reference approach to research the analogous formulae.

  13. Non-target screening of Allura Red AC photodegradation products in a beverage through ultra high performance liquid chromatography coupled with hybrid triple quadrupole/linear ion trap mass spectrometry.

    PubMed

    Gosetti, Fabio; Chiuminatto, Ugo; Mazzucco, Eleonora; Calabrese, Giorgio; Gennaro, Maria Carla; Marengo, Emilio

    2013-01-15

    The study deals with the identification of the degradation products formed by simulated sunlight photoirradiation in a commercial beverage that contains Allura Red AC dye. An UHPLC-MS/MS method, that makes use of hybrid triple quadrupole/linear ion trap, was developed. In the identification step the software tool information dependent acquisition (IDA) was used to automatically obtain information about the species present and to build a multiple reaction monitoring (MRM) method with the MS/MS fragmentation pattern of the species considered. The results indicate that the identified degradation products are formed from side-reactions and/or interactions among the dye and other ingredients present in the beverage (ascorbic acid, citric acid, sucrose, aromas, strawberry juice, and extract of chamomile flowers). The presence of aromatic amine or amide functionalities in the chemical structures proposed for the degradation products might suggest potential hazards to consumer health.

  14. Rapid separation and identification of furocoumarins in Angelica dahurica by high-performance liquid chromatography with diode-array detection, time-of-flight mass spectrometry and quadrupole ion trap mass spectrometry.

    PubMed

    Zhang, Hai; Gong, Chungui; Lv, Lei; Xu, Yuanjie; Zhao, Liang; Zhu, Zhenyu; Chai, Yifeng; Zhang, Guoqing

    2009-07-01

    High-performance liquid chromatography with diode-array detection (HPLC/DAD), time-of-flight mass spectrometry (HPLC/TOFMS) and quadrupole ion trap mass spectrometry (HPLC/QITMS) were used for separation, identification and structural analysis of furocoumarins in Angelica dahurica. Two furocoumarins (imperatorin and isoimperatorin) in Angelica dahurica extract were identified unambiguously by comparing their relative retention times, characteristic ultraviolet information and accurate mass measurement. A formula database of known furocoumarins in Angelica dahurica was established, against which the other 21 furocoumarins were identified effectively based on the accurate extract masses and formulae acquired by HPLC/TOFMS. In order to distinguish the isomers, multi-stage mass spectrometry (MSn, ion trap mass spectrometry) was used. General fragmentation behavior of the furocoumarins in the ion trap mass spectrometer was studied by the two furocoumarin standards, and their fragmentation rules in MS(n) spectra were summarized. These deduced fragmentation rules of furocoumarins were successfully implemented in distinguishing the three groups of isomers in Angelica dahurica by HPLC/QITMS. By using the three different analytical techniques, 23 furocoumarins in Angelica dahurica were tentatively identified within 30 min. Finally, HPLC/TOFMS fingerprints of Angelica dahurica were established by which it can be concluded that a rapid and effective method based on the three analytical techniques for identification of chemical components was established. This can provide help for further quality control of Angelica dahurica and pharmacology mechanism study of furocoumarins in Angelica dahurica.

  15. Electrospray Quadrupole Travelling Wave Ion Mobility Time-of-Flight Mass Spectrometry for the Detection of Plasma Metabolome Changes Caused by Xanthohumol in Obese Zucker (fa/fa) Rats

    PubMed Central

    Wickramasekara, Samanthi I.; Zandkarimi, Fereshteh; Morré, Jeff; Kirkwood, Jay; Legette, LeeCole; Jiang, Yuan; Gombart, Adrian F.; Stevens, Jan F.; Maier, Claudia S.

    2013-01-01

    This study reports on the use of traveling wave ion mobility quadrupole time-of-flight (ToF) mass spectrometry for plasma metabolomics. Plasma metabolite profiles of obese Zucker fa/fa rats were obtained after the administration of different oral doses of Xanthohumol; a hop-derived dietary supplement. Liquid chromatography coupled data independent tandem mass spectrometry (LC-MSE) and LC-ion mobility spectrometry (IMS)-MSE acquisitions were conducted in both positive and negative modes using a Synapt G2 High Definition Mass Spectrometry (HDMS) instrument. This method provides identification of metabolite classes in rat plasma using parallel alternating low energy and high energy collision spectral acquisition modes. Data sets were analyzed using pattern recognition methods. Statistically significant (p < 0.05 and fold change (FC) threshold > 1.5) features were selected to identify the up-/down-regulated metabolite classes. Ion mobility data visualized using drift scope software provided a graphical read-out of differences in metabolite classes. PMID:24958146

  16. Multi-mycotoxin Analysis of Finished Grain and Nut Products Using Ultrahigh-Performance Liquid Chromatography and Positive Electrospray Ionization-Quadrupole Orbital Ion Trap High-Resolution Mass Spectrometry.

    PubMed

    Liao, Chia-Ding; Wong, Jon W; Zhang, Kai; Yang, Paul; Wittenberg, James B; Trucksess, Mary W; Hayward, Douglas G; Lee, Nathaniel S; Chang, James S

    2015-09-23

    Ultrahigh-performance liquid chromatography using positive electrospray ionization and quadrupole orbital ion trap high-resolution mass spectrometry was evaluated for analyzing mycotoxins in finished cereal and nut products. Optimizing the orbital ion trap mass analyzer in full-scan mode using mycotoxin-fortified matrix extracts gave mass accuracies, δM, of < ± 2.0 ppm at 70,000 full width at half maximum (FWHM) mass resolution (RFWHM). The limits of quantitation were matrix- and mycotoxin-dependent, ranging from 0.02 to 11.6 μg/kg. Mean recoveries and standard deviations for mycotoxins from acetonitrile/water extraction at their relevant fortification levels were 91 ± 10, 94 ± 10, 98 ± 12, 91 ± 13, 99 ± 15, and 93 ± 17% for corn, rice, wheat, almond, peanut, and pistachio, respectively. Nineteen mycotoxins with concentrations ranging from 0.3 (aflatoxin B1 in peanut and almond) to 1175 μg/kg (fumonisin B1 in corn flour) were found in 35 of the 70 commercial grain and nut samples surveyed. Mycotoxins could be identified at δM < ± 5 ppm by identifying the precursor and product ions in full-scan MS and data-dependent MS/MS modes. This method demonstrates a new analytical approach for monitoring mycotoxins in finished grain and nut products.

  17. This-layer chromatography/electrospray ionization triple-quadrupole linear ion trap mass spectrometry system: analysis of rhodamine dyes separated on reversed-phase C8 plates

    SciTech Connect

    Ford, Michael J; Kertesz, Vilmos; Van Berkel, Gary J

    2005-01-01

    The direct analysis of separated rhodamine dyes on reversed-phase C{sub 8} thin-layer chromatography plates using a surface sampling/electrospray emitter probe coupled with a triple-quadrupole linear ion trap mass spectrometer is presented. This report represents continuing work to advance the performance metrics and utility of this basic surface sampling electrospray mass spectrometry system for the analysis of thin-layer chromatography plates. Experimental results examining the role of sampling probe spray end configuration on liquid aspiration rate and gas-phase ion signal generated are discussed. The detection figures-of-merit afforded by full-scan, automated product ion and selected reaction monitoring modes of operation were examined. The effect of different eluting solvents on mass spectrum signal levels with the reversed-phase C{sub 8} plate was investigated. The combined effect of eluting solvent flow-rate and development lane surface scan rate on preservation of chromatographic resolution was also studied. Analysis of chromatographically separated red pen ink extracts from eight different pens using selected reaction monitoring demonstrated the potential of this surface sampling electrospray mass spectrometry system for targeted compound analysis with real samples.

  18. Cooperative Management of a Lithium-Ion Battery Energy Storage Network: A Distributed MPC Approach

    SciTech Connect

    Fang, Huazhen; Wu, Di; Yang, Tao

    2016-12-12

    This paper presents a study of cooperative power supply and storage for a network of Lithium-ion energy storage systems (LiBESSs). We propose to develop a distributed model predictive control (MPC) approach for two reasons. First, able to account for the practical constraints of a LiBESS, the MPC can enable a constraint-aware operation. Second, a distributed management can cope with a complex network that integrates a large number of LiBESSs over a complex communication topology. With this motivation, we then build a fully distributed MPC algorithm from an optimization perspective, which is based on an extension of the alternating direction method of multipliers (ADMM) method. A simulation example is provided to demonstrate the effectiveness of the proposed algorithm.

  19. High-resolution storage-ring measurements of the dissociative recombination of H{sub 3}{sup +} using a supersonic expansion ion source

    SciTech Connect

    Kreckel, Holger; Crabtree, Kyle N.; Tom, Brian A.; Novotny, Oldrich; Lestinsky, Michael; Buhr, Henrik; Petrignani, Annemieke; Berg, Max H.; Bing, Dennis; Grieser, Manfred; Krantz, Claude; Mendes, Mario B.; Nordhorn, Christian; Repnow, Roland; Stuetzel, Julia; Wolf, Andreas; Thomas, Richard D.; McCall, Benjamin J.

    2010-10-15

    We have performed measurements of the dissociative electron recombination (DR) of H{sub 3}{sup +} at the ion storage ring TSR utilizing a supersonic expansion ion source. The ion source has been characterized by continuous wave cavity ring-down spectroscopy. We present high-resolution DR rate coefficients for different nuclear spin modifications of H{sub 3}{sup +} combined with precise fragment imaging studies of the internal excitation of the H{sub 3}{sup +} ions inside the storage ring. The measurements resolve changes in the energy dependence between the ortho-H{sub 3}{sup +} and para-H{sub 3}{sup +} rate coefficients at low center-of-mass collision energies. Analysis of the imaging data indicates that the stored H{sub 3}{sup +} ions may have higher rotational temperatures than previously assumed, most likely due to collisional heating during the extraction of the ions from the ion source. Simulations of the ion extraction shed light on possible origins of the heating process and how to avoid it in future experiments.

  20. Application of the Green's function method to some nonlinear problems of an electron storage ring: Part 2, Checking the method by a quadrupole perturbation

    SciTech Connect

    Kheifets, S.

    1982-10-01

    In the first part of this work I described a general approach to some storage ring problems. The basic concept and the main equations were developed there. The next natural step in this work should be an application of the developed technique to some particular nonlinear problem. Instead, I found it useful to apply the method to the case of a field gradient perturbation first. This happened to be plausible not only as a check of the method, but, more importantly, as a way to resolve several troublesome difficulties encountered in subsequent calculations. The present note does not contain any new results. Still, the work is felt to be necessary as a support for all the future applications of the method. I consider here the effect of a global gradient error in a weak-focusing machine and the effect of a local gradient error in a strong focusing machine. The distribution function of a particle bunch for a perturbed lattice in these cases can be written explicitly. The expansion of this distribution function as a series perturbation terms produces the first and the second order corrections to the unperturbed function. From them we calculate, then, corresponding second moments. A similar expansion of the distribution function is found by the Green's function method described of this work. The second moments are found independently with the help of this distribution function. The comparison of these two results is one way to check the method and the correctness of the calculations. This comparison is done for the first and second order perturbations. 4 refs., 2 tabs.

  1. Graphene-based electrochemical energy conversion and storage: fuel cells, supercapacitors and lithium ion batteries.

    PubMed

    Hou, Junbo; Shao, Yuyan; Ellis, Michael W; Moore, Robert B; Yi, Baolian

    2011-09-14

    Graphene has attracted extensive research interest due to its strictly 2-dimensional (2D) structure, which results in its unique electronic, thermal, mechanical, and chemical properties and potential technical applications. These remarkable characteristics of graphene, along with the inherent benefits of a carbon material, make it a promising candidate for application in electrochemical energy devices. This article reviews the methods of graphene preparation, introduces the unique electrochemical behavior of graphene, and summarizes the recent research and development on graphene-based fuel cells, supercapacitors and lithium ion batteries. In addition, promising areas are identified for the future development of graphene-based materials in electrochemical energy conversion and storage systems.

  2. MeV ion-beam analysis of optical data storage films

    NASA Technical Reports Server (NTRS)

    Leavitt, J. A.; Mcintyre, L. C., Jr.; Lin, Z.

    1993-01-01

    Our objectives are threefold: (1) to accurately characterize optical data storage films by MeV ion-beam analysis (IBA) for ODSC collaborators; (2) to develop new and/or improved analysis techniques; and (3) to expand the capabilities of the IBA facility itself. Using H-1(+), He-4(+), and N-15(++) ion beams in the 1.5 MeV to 10 MeV energy range from a 5.5 MV Van de Graaff accelerator, film thickness (in atoms/sq cm), stoichiometry, impurity concentration profiles, and crystalline structure were determined by Rutherford backscattering (RBS), high-energy backscattering, channeling, nuclear reaction analysis (NRA) and proton induced X-ray emission (PIXE). Most of these techniques are discussed in detail in the ODSC Annual Report (February 17, 1987), p. 74. The PIXE technique is briefly discussed in the ODSC Annual Report (March 15, 1991), p. 23.

  3. Recombination of simple molecular ions studied in storage ring: dissociative recombination of H2O+

    PubMed

    Rosen; Derkatch; Semaniak; Neau; al-Khalili; Le Padellec A; Vikor; Thomas; Danared; af Ugglas M; Larsson

    2000-01-01

    Dissociative recombination of vibrationally relaxed H2O+ ions with electrons has been studied in the heavy-ion storage ring CRYRING. Absolute cross-sections have been measured for collision energies between 0 eV and 30 eV. The energy dependence of the cross-section below 0.1 eV is found to be much steeper than the E-1 behaviour associated with the dominance of the direct recombination mechanism. Resonant structures found at 4 eV and 11 eV have been attributed to the electron capture to Rydberg states converging to electronically excited ionic states. Complete branching fractions for all dissociation channels have been measured at a collision energy of 0 eV. The dissociation process is dominated by three-body H + H + O breakup that occurs with a branching ratio of 0.71.

  4. Beam pinging, sweeping, shaking, and electron/ion collecting, at the Proton Storage Ring

    SciTech Connect

    Hardek, T.W.; Macek, R.J.; Plum, M.A.; Wang, T.S.F.

    1993-06-01

    We have built, installed and tested a pinger for use as a general diagnostic at the Los Alamos Proton Storage Ring (PSR). Two 4-m-long parallel-plate electrodes with a plate spacing of 10.2 cm provide kicks of up to 1.1 mrad. A pair of solid-state pulsers may be operated in a single-pulse mode for beam pinging (tune measurements) or in a burst mode at up to 700 kHz pulse rates for beam sweeping. During our 1992 operating period we used the pinger for beam sweeping, for beam shaking, for measuring the tune shift, and we have used it as an ion chamber. Using the pinger as an ion chamber during production conditions has yielded some surprising results.

  5. Beam pinging, sweeping, shaking, and electron/ion collecting, at the Proton Storage Ring

    SciTech Connect

    Hardek, T.W.; Macek, R.J.; Plum, M.A.; Wang, T.S.F.

    1993-01-01

    We have built, installed and tested a pinger for use as a general diagnostic at the Los Alamos Proton Storage Ring (PSR). Two 4-m-long parallel-plate electrodes with a plate spacing of 10.2 cm provide kicks of up to 1.1 mrad. A pair of solid-state pulsers may be operated in a single-pulse mode for beam pinging (tune measurements) or in a burst mode at up to 700 kHz pulse rates for beam sweeping. During our 1992 operating period we used the pinger for beam sweeping, for beam shaking, for measuring the tune shift, and we have used it as an ion chamber. Using the pinger as an ion chamber during production conditions has yielded some surprising results.

  6. Facile Generation and Storage of Polycyclic Aromatic Hydrocarbon Ions in Astrophysical Ices

    NASA Technical Reports Server (NTRS)

    Gudipati, Murthy S.; Allamandola, Louis J.

    2003-01-01

    In situ ultraviolet-visible absorption and emission studies of vacuum ultraviolet (VUV) irradiated water-rich, cosmic ice analogs containing polycyclic aromatic hydrocarbons (PAHs) are described. W V irradiation of 12 K water ices containing the PAHs naphthalene (H2O/C10H8 = 200) and 4-methylpyrene (H2O/C17H12 > 500) readily converts the PAHs into their cation form (PAH(+)). Under these conditions, PAH photoionization is the predominant reaction. These ions are trapped and stored in the ices at temperatures between 10 and 50 K, a temperature domain common to ices throughout interstellar clouds and the solar system. Unlike the approx.15% ionization typical after W V irradiation of PAHs isolated in rare-gas matrices, in water ice, PAH photoionization and storage proceed efficiently and almost quantitatively with a greater than 70% ionization yield. As the temperature is increased from 50 to 150 K, the PAH ion bands slowly diminish as the PAH ions ultimately react to form more complex organic species involving the water host. The chemical, spectroscopic, and physical properties of these ion-rich ices can be important in icy objects such as molecular clouds, comets, and planets. Several astrophysical applications are presented.

  7. Development of Lithium-ion Battery as Energy Storage for Mobile Power Sources Applications

    NASA Astrophysics Data System (ADS)

    Sulaiman, Mohd Ali; Hasan, Hasimah

    2009-09-01

    In view of the need to protect the global environment and save energy, there has been strong demand for the development of lithium-ion battery technology as a energy storage system, especially for Light Electric Vehicle (LEV) and electric vehicles (EV) applications. The R&D trend in the lithium-ion battery development is toward the high power and energy density, cheaper in price and high safety standard. In our laboratory, the research and development of lithium-ion battery technology was mainly focus to develop high power density performance of cathode material, which is focusing to the Li-metal-oxide system, LiMO2, where M=Co, Ni, Mn and its combination. The nano particle size material, which has irregular particle shape and high specific surface area was successfully synthesized by self propagating combustion technique. As a result the energy density and power density of the synthesized materials are significantly improved. In addition, we also developed variety of sizes of lithium-ion battery prototype, including (i) small size for electronic gadgets such as mobile phone and PDA applications, (ii) medium size for remote control toys and power tools applications and (iii) battery module for high power application such as electric bicycle and electric scooter applications. The detail performance of R&D in advanced materials and prototype development in AMREC, SIRIM Berhad will be discussed in this paper.

  8. Solid-state NMR Study of Ion Adsorption and Charge Storage in Graphene Film Supercapacitor Electrodes

    PubMed Central

    Li, Kecheng; Bo, Zheng; Yan, Jianhua; Cen, Kefa

    2016-01-01

    Graphene film has been demonstrated as promising active materials for electric double layer capacitors (EDLCs), mainly due to its excellent mechanical flexibility and freestanding morphology. In this work, the distribution and variation pattern of electrolyte ions in graphene-film based EDLC electrodes are investigated with a 11B magic-angle spinning nuclear magnetic resonance (MAS-NMR) spectroscopy. For neutral graphene films soaked with different amounts of electrolytes (1 M TEABF4/ACN), weakly and strongly adsorbed anions are identified based on the resonances at different 11B chemical shifts. Unlike other porous carbonaceous materials, the strongly adsorbed anions are found as the major electrolyte anions components in graphene films. Further measurements on the ion population upon charging are carried out with applying different charging voltages on the graphene films. Results indicate that the charging process of graphene-film based EDLCs can be divided into two distinct charge storage stages (i.e., ejection of co-ions and adsorption of counter-ions) for different voltages. The as-obtained results will be useful for the design and fabrication of high performance graphene-film based EDLCs. PMID:28000786

  9. Solid-state NMR Study of Ion Adsorption and Charge Storage in Graphene Film Supercapacitor Electrodes

    NASA Astrophysics Data System (ADS)

    Li, Kecheng; Bo, Zheng; Yan, Jianhua; Cen, Kefa

    2016-12-01

    Graphene film has been demonstrated as promising active materials for electric double layer capacitors (EDLCs), mainly due to its excellent mechanical flexibility and freestanding morphology. In this work, the distribution and variation pattern of electrolyte ions in graphene-film based EDLC electrodes are investigated with a 11B magic-angle spinning nuclear magnetic resonance (MAS-NMR) spectroscopy. For neutral graphene films soaked with different amounts of electrolytes (1 M TEABF4/ACN), weakly and strongly adsorbed anions are identified based on the resonances at different 11B chemical shifts. Unlike other porous carbonaceous materials, the strongly adsorbed anions are found as the major electrolyte anions components in graphene films. Further measurements on the ion population upon charging are carried out with applying different charging voltages on the graphene films. Results indicate that the charging process of graphene-film based EDLCs can be divided into two distinct charge storage stages (i.e., ejection of co-ions and adsorption of counter-ions) for different voltages. The as-obtained results will be useful for the design and fabrication of high performance graphene-film based EDLCs.

  10. Solid-state NMR Study of Ion Adsorption and Charge Storage in Graphene Film Supercapacitor Electrodes.

    PubMed

    Li, Kecheng; Bo, Zheng; Yan, Jianhua; Cen, Kefa

    2016-12-21

    Graphene film has been demonstrated as promising active materials for electric double layer capacitors (EDLCs), mainly due to its excellent mechanical flexibility and freestanding morphology. In this work, the distribution and variation pattern of electrolyte ions in graphene-film based EDLC electrodes are investigated with a (11)B magic-angle spinning nuclear magnetic resonance (MAS-NMR) spectroscopy. For neutral graphene films soaked with different amounts of electrolytes (1 M TEABF4/ACN), weakly and strongly adsorbed anions are identified based on the resonances at different (11)B chemical shifts. Unlike other porous carbonaceous materials, the strongly adsorbed anions are found as the major electrolyte anions components in graphene films. Further measurements on the ion population upon charging are carried out with applying different charging voltages on the graphene films. Results indicate that the charging process of graphene-film based EDLCs can be divided into two distinct charge storage stages (i.e., ejection of co-ions and adsorption of counter-ions) for different voltages. The as-obtained results will be useful for the design and fabrication of high performance graphene-film based EDLCs.

  11. Improved sensitivity of ochratoxin A analysis in coffee using high-performance liquid chromatography with hybrid triple quadrupole-linear ion trap mass spectrometry (LC-QqQLIT-MS/MS).

    PubMed

    Kokina, Aija; Pugajeva, Iveta; Bartkevics, Vadims

    2016-01-01

    A novel and sensitive method utilising high-performance liquid chromatography coupled to triple quadrupole-linear ion trap mass spectrometry (LC-QqQLIT-MS/MS) was developed in order to analyse the content of ochratoxin A (OTA) in coffee samples. The introduction of the triple-stage MS scanning mode (MS(3)) has been shown to increase greatly sensitivity and selectivity by eliminating the high chromatographic baseline caused by interference of complex coffee matrices. The analysis included the sample preparation procedure involving extraction of OTA using a methanol-water mixture and clean-up by immunoaffinity columns and detection using the MS(3) scanning mode of LC-QqQLIT-MS/MS. The proposed method offered a good linear correlation (r(2) > 0.998), excellent precision (RSD < 2.9%) and recovery (94%). The limit of quantification (LOQ) for coffee beans and espresso beverages was 0.010 and 0.003 µg kg(-1), respectively. The developed procedure was compared with traditional methods employing liquid chromatography coupled to fluorescent and tandem quadrupole detectors in conjunction with QuEChERS and solid-phase extraction. The proposed method was successfully applied to the determination of OTA in 15 samples of coffee beans and in 15 samples of espresso coffee beverages obtained from the Latvian market. OTA was found in 10 samples of coffee beans and in two samples of espresso in the ranges of 0.018-1.80 µg kg(-1) and 0.020-0.440 µg l(-1), respectively. No samples exceeded the maximum permitted level of OTA in the European Union (5.0 µg kg(-1)).

  12. Intercalation Pseudocapacitance in Ultrathin VOPO4 Nanosheets: Toward High-Rate Alkali-Ion-Based Electrochemical Energy Storage.

    PubMed

    Zhu, Yue; Peng, Lele; Chen, Dahong; Yu, Guihua

    2016-01-13

    There is a growing need for energy storage devices in numerous applications where a large amount of energy needs to be either stored or delivered quickly. The present paper details the study of alkali-ion intercalation pseudocapacitance in ultrathin VOPO4 nanosheets, which hold promise in high-rate alkali-ion based electrochemical energy storage. Starting from bulk VOPO4·2H2O chunks, VOPO4 nanosheets were obtained through simple ultrasonication in 2-propanol. These nanosheets as the cathode exhibit a specific capacity of 154 and 136 mAh/g (close to theoretical value 166 mAh/g) for lithium and sodium storage devices at 0.1 C and 100 and ∼70 mAh/g at 5 C, demonstrating their high rate capability. Moreover, the capacity retention is maintained at 90% for lithium ion storage and 73% for sodium ion storage after 500 cycles, showing their reasonable stability. The demonstrated alkali-ion intercalation pseudocapacitance represents a promising direction for developing battery materials with promising high rate capability.

  13. NMR Study of Ion Dynamics and Charge Storage in Ionic Liquid Supercapacitors.

    PubMed

    Forse, Alexander C; Griffin, John M; Merlet, Céline; Bayley, Paul M; Wang, Hao; Simon, Patrice; Grey, Clare P

    2015-06-10

    Ionic liquids are emerging as promising new electrolytes for supercapacitors. While their higher operating voltages allow the storage of more energy than organic electrolytes, they cannot currently compete in terms of power performance. More fundamental studies of the mechanism and dynamics of charge storage are required to facilitate the development and application of these materials. Here we demonstrate the application of nuclear magnetic resonance spectroscopy to study the structure and dynamics of ionic liquids confined in porous carbon electrodes. The measurements reveal that ionic liquids spontaneously wet the carbon micropores in the absence of any applied potential and that on application of a potential supercapacitor charging takes place by adsorption of counterions and desorption of co-ions from the pores. We find that adsorption and desorption of anions surprisingly plays a more dominant role than that of the cations. Having elucidated the charging mechanism, we go on to study the factors that affect the rate of ionic diffusion in the carbon micropores in an effort to understand supercapacitor charging dynamics. We show that the line shape of the resonance arising from adsorbed ions is a sensitive probe of their effective diffusion rate, which is found to depend on the ionic liquid studied, as well as the presence of any solvent additives. Taken as whole, our NMR measurements allow us to rationalize the power performances of different electrolytes in supercapacitors.

  14. NMR Study of Ion Dynamics and Charge Storage in Ionic Liquid Supercapacitors

    PubMed Central

    2015-01-01

    Ionic liquids are emerging as promising new electrolytes for supercapacitors. While their higher operating voltages allow the storage of more energy than organic electrolytes, they cannot currently compete in terms of power performance. More fundamental studies of the mechanism and dynamics of charge storage are required to facilitate the development and application of these materials. Here we demonstrate the application of nuclear magnetic resonance spectroscopy to study the structure and dynamics of ionic liquids confined in porous carbon electrodes. The measurements reveal that ionic liquids spontaneously wet the carbon micropores in the absence of any applied potential and that on application of a potential supercapacitor charging takes place by adsorption of counterions and desorption of co-ions from the pores. We find that adsorption and desorption of anions surprisingly plays a more dominant role than that of the cations. Having elucidated the charging mechanism, we go on to study the factors that affect the rate of ionic diffusion in the carbon micropores in an effort to understand supercapacitor charging dynamics. We show that the line shape of the resonance arising from adsorbed ions is a sensitive probe of their effective diffusion rate, which is found to depend on the ionic liquid studied, as well as the presence of any solvent additives. Taken as whole, our NMR measurements allow us to rationalize the power performances of different electrolytes in supercapacitors. PMID:25973552

  15. Flow reactor and triple quadrupole mass spectrometer investigations of negative ion reactions involving nitric acid - Implications for atmospheric HNO3 detection by chemical ionization mass spectrometry

    NASA Astrophysics Data System (ADS)

    Moehler, O.; Arnold, F.

    1991-07-01

    The ion-molecule reactions on which Active Chemical Ionization Mass Spectrometry (ACIMS) measurements of atmospheric nitric acid are based are presently subjected to product-ion distribution and rate coefficient measurements. The results obtained indicate that while previous stratospheric nitric acid measurements were not impared by collisional dissociation processes, these processes may have played a major role during previous tropospheric measurements: leading to an undereestimation of nitric acid concentrations. A novel ACIMS ion source has been developed in order to avoid these problems.

  16. Effects of vinylene carbonate on high temperature storage of high voltage Li-ion batteries

    NASA Astrophysics Data System (ADS)

    Eom, Ji-Yong; Jung, In-Ho; Lee, Jong-Hoon

    The effects of vinylene carbonate (VC) on high temperature storage of high voltage Li-ion batteries are investigated. 1.3 M of LiPF 6 dissolved in ethylene carbonate (EC), ethylmethyl carbonate (EMC) and dimethyl carbonate (DMC) of 3:3:4 volume ratio is used as original electrolyte for 18650 cylindrical cells with LiCoO 2 cathode and graphite anode. VC is then added to electrolyte. At the initial stage of the high temperature storage, higher open-circuit voltage (OCV) is maintained when increasing the VC concentration. As the storage time increases, OCV of higher VC concentration drops gradually, and then the gas evolution takes place abruptly. Gas analysis shows methane (CH 4) decreases with increase of the VC concentration due to formation of stable solid electrolyte interface (SEI) layer on the graphite. Since the residual VC after formation of the SEI layer decomposes on the cathode surface, carbon dioxide (CO 2) dramatically increases on the cathode with the VC concentration, leaving poly(VC) film at the anode surface, as suggested by XPS test results.

  17. Miniature quadrupole mass spectrometer array

    NASA Technical Reports Server (NTRS)

    Chutjian, Ara (Inventor); Hecht, Michael H. (Inventor); Orient, Otto J. (Inventor)

    1997-01-01

    The present invention provides a minature quadrupole mass spectrometer array for the separation of ions, comprising a first pair of parallel, planar, nonmagnetic conducting rods each having an axis of symmetry, a second pair of planar, nonmagnetic conducting rods each having an axis of symmetry parallel to said first pair of rods and disposed such that a line perpendicular to each of said first axes of symmetry and a line perpendicular to each of said second axes of symmetry bisect each other and form a generally 90 degree angle. A nonconductive top positioning plate is positioned generally perpendicular to the first and second pairs of rods and has an aperture for ion entrance along an axis equidistant from each axis of symmetry of each of the parallel rods, a nonconductive bottom positioning plate is generally parallel to the top positioning plate and has an aperture for ion exit centered on an axis equidistant from each axis of symmetry of each of the parallel rods, means for maintaining a direct current voltage between the first and second pairs of rods, and means for applying a radio frequency voltage to the first and second pairs of rods.

  18. Miniature quadrupole mass spectrometer array

    NASA Technical Reports Server (NTRS)

    Chutjian, Ara (Inventor); Hecht, Michael H. (Inventor); Orient, Otto J. (Inventor)

    1998-01-01

    The present invention provides a minature quadrupole mass spectrometer array for the separation of ions, comprising a first pair of parallel, planar, nonmagnetic conducting rods each having an axis of symmetry, a second pair of planar, nonmagnetic conducting rods each having an axis of symmetry parallel to said first pair of rods and disposed such that a line perpendicular to each of said first axes of symmetry and a line perpendicular to each of said second axes of symmetry bisect each other and form a generally 90 degree angle. A nonconductive top positioning plate is positioned generally perpendicular to the first and second pairs of rods and has an aperture for ion entrance along an axis equidistant from each axis of symmetry of each of the parallel rods, a nonconductive bottom positioning plate is generally parallel to the top positioning plate and has an aperture for ion exit centered on an axis equidistant from each axis of symmetry of each of the parallel rods, means for maintaining a direct current voltage between the first and second pairs of rods, and means for applying a radio frequency voltage to the first and second pairs of rods.

  19. A hybrid liquid chromatography-mass spectrometry strategy in a forensic laboratory for opioid, cocaine and amphetamine classes in human urine using a hybrid linear ion trap-triple quadrupole mass spectrometer.

    PubMed

    Dowling, Geraldine; Regan, Liam; Tierney, Julie; Nangle, Michael

    2010-10-29

    A rapid method has been developed to analyse morphine, codeine, morphine-3-glucuronide, 6-monoacetylmorphine, cocaine, benzoylegonine, buprenorphine, dihydrocodeine, cocaethylene, 3,4-methylenedioxyamphetamine, ketamine, 3,4-methylenedioxymethamphetamine, pseudoephedrine, lignocaine, benzylpiperazine, methamphetamine, amphetamine, 2-ethylidene-1,5-dimethyl-3,3-diphenylpyrrolidine and methadone in human urine. Urine samples were diluted with methanol:water (1:1, v/v) and sample aliquots were analysed by hybrid linear ion trap-triple quadrupole mass spectrometry with a runtime of 12.5 min. Multiple reaction monitoring (MRM) as survey scan and an enhanced product ion (EPI) scan as dependent scan were performed in an information-dependent acquisition (IDA) experiment. Finally, drug identification and confirmation was carried out by library search with a developed in-house MS/MS library based on EPI spectra at a collision energy spread of 35±15 in positive mode and MRM ratios. The method was validated in urine, according to the criteria defined in Commission Decision 2002/657/EC. At least two MRM transitions for each substance were monitored in addition to EPI spectra and deuterated analytes were used as internal standards for quantitation. The reporting level was 0.05 μg mL(-1) for the range of analytes tested. The regression coefficients (r(2)) for the calibration curves (0-4 μg mL(-1)) in the study were ≥0.98. The method proved to be simple and time efficient and was implemented as an analytical strategy for the illicit drug monitoring of opioids, cocaines and amphetamines in criminal samples from crime offenders, abusers or victims in the Republic of Ireland. To the best of our knowledge there are no hybrid LC-MS applications using MRM mode and product ion spectra in the linear ion trap mode for opioids, cocaines or amphetamines with validation data in urine.

  20. Miniature micromachined quadrupole mass spectrometer array and method of making the same

    NASA Technical Reports Server (NTRS)

    Chutjian, Ara (Inventor); Fuerstenau, Stephen D. (Inventor); Orient, Otto J. (Inventor); Yee, Karl Y. (Inventor); Rice, John T. (Inventor)

    2000-01-01

    The present invention provides a quadrupole mass spectrometer and an ion filter, or pole array, for use in the quadrupole mass spectrometer. The ion filter includes a thin patterned layer including a two-dimensional array of poles forming one or more quadrupoles. The patterned layer design permits the use of very short poles and with a very dense spacing of the poles, so that the ion filter may be made very small. Also provided is a method for making the ion filter and the quadrupole mass spectrometer. The method involves forming the patterned layer of the ion filter in such a way that as the poles of the patterned layer are formed, they have the relative positioning and alignment for use in a final quadrupole mass spectrometer device.

  1. Miniature micromachined quadrupole mass spectrometer array and method of making the same

    NASA Technical Reports Server (NTRS)

    Chutjian, Ara (Inventor); Fuerstenau, Stephen D. (Inventor); Orient, Otto J. (Inventor); Yee, Karl Y. (Inventor); Rice, John T. (Inventor)

    2001-01-01

    The present invention provides a quadrupole mass spectrometer and an ion filter, or pole array, for use in the quadrupole mass spectrometer. The ion filter includes a thin patterned layer including a two-dimensional array of poles forming one or more quadrupoles. The patterned layer design permits the use of very short poles and with a very dense spacing of the poles, so that the ion filter may be made very small. Also provided is a method for making the ion filter and the quadrupole mass spectrometer. The method involves forming the patterned layer of the ion filter in such a way that as the poles of the patterned layer are formed, they have the relative positioning and alignment for use in a final quadrupole mass spectrometer device.

  2. Miniature micromachined quadrupole mass spectrometer array and method of making the same

    NASA Technical Reports Server (NTRS)

    Chutjian, Ara (Inventor); Hecht, Michael (Inventor); Orient, Otto (Inventor); Wiberg, Dean (Inventor); Brennen, Reid A. (Inventor)

    2001-01-01

    The present invention provides a quadrupole mass spectrometer and an ion filter for use in the quadrupole mass spectrometer. The ion filter includes a thin patterned layer including a two-dimensional array of poles forming one or more quadrupoles. The patterned layer design permits the use of very short poles and with a very dense spacing of the poles, so that the ion filter may be made very small. Also provided is a method for making the ion filter and the quadrupole mass spectrometer. The method involves forming the patterned layer of the ion filter in such a way that as the poles of the patterned layer are formed, they have the relative positioning and aligrnent for use in a final quadrupole mass spectrometer device.

  3. Miniature micromachined quadrupole mass spectrometer array and method of making the same

    NASA Technical Reports Server (NTRS)

    Chutjian, Ara (Inventor); Hecht, Michael (Inventor); Orient, Otto (Inventor); Wiberg, Dean (Inventor); Brennen, Reid A. (Inventor)

    2000-01-01

    The present invention provides a quadrupole mass spectrometer and an ion filter for use in the quadrupole mass spectrometer. The ion filter includes a thin patterned layer including a two-dimensional array of poles forming one or more quadrupoles. The patterned layer design permits the use of very short poles and with a very dense spacing of the poles, so that the ion filter may be made very small. Also provided is a method for making the ion filter and the quadrupole mass spectrometer. The method involves forming the patterned layer of the ion filter in such a way that as the poles of the patterned layer are formed, they have the relative positioning and alignment for use in a final quadrupole mass spectrometer device.

  4. Miniature micromachined quadrupole mass spectrometer array and method of making the same

    NASA Technical Reports Server (NTRS)

    Chutjian, Ara (Inventor); Hecht, Michael (Inventor); Orient, Otto (Inventor); Wiberg, Dean (Inventor); Brennen, Reid A. (Inventor)

    2001-01-01

    The present invention provides a quadrupole mass spectrometer and an ion filter for use in the quadrupole mass spectrometer. The ion filter includes a thin patterned layer including a two-dimensional array of poles forming one or more quadrupoles. The patterned layer design permits the use of very short poles and with a very dense spacing of the poles, so that the ion filter may be made very small. Also provided is a method for making the ion filter and the quadrupole mass spectrometer. The method involves forming the patterned layer of the ion filter in such a way that as the poles of the patterned layer are formed, they have the relative positioning and alignment for use in a final quadrupole mass spectrometer device.

  5. Miniature micromachined quadrupole mass spectrometer array and method of making the same

    NASA Technical Reports Server (NTRS)

    Chutjian, Ara (Inventor); Fuerstenau, Stephen D. (Inventor); Orient, Otto J. (Inventor); Yee, Karl Y. (Inventor); Rice, John T. (Inventor)

    2002-01-01

    The present invention provides a quadrupole mass spectrometer and an ion filter, or pole array, for use in the quadrupole mass spectrometer. The ion filter includes a thin patterned layer including a two-dimensional array of poles forming one or more quadrupoles. The patterned layer design permits the use of very short poles and with a very dense spacing of the poles, so that the ion filter may be made very small. Also provided is a method for making the ion filter and the quadrupole mass spectrometer. The method involves forming the patterned layer of the ion filter in such a way that as the poles of the patterned layer are formed, they have the relative positioning and alignment for use in a final quadrupole mass spectrometer device.

  6. Rapid screening of 35 new psychoactive substances by ion mobility spectrometry (IMS) and direct analysis in real time (DART) coupled to quadrupole time-of-flight mass spectrometry (QTOF-MS).

    PubMed

    Gwak, Seongshin; Almirall, Jose R

    2015-10-01

    The recent propagation of new psychoactive substances (NPS) has led to the development of new techniques for the rapid characterization of controlled substances in this category. A commercial bench-top ion mobility spectrometer (IMS) with a (63) Ni ionization source and a direct analysis in real time (DART) coupled to quadrupole time-of-flight (QTOF) were used for the rapid characterization of 35 NPS. The advantages of these techniques are fast response, ease of operation, and minimal sample preparation. The characteristic reduced mobilities of each substance are reported as are the mass spectra of the 35 compounds. The acquired product ion scan mass spectra were also compared to a library database constructed by QTOF with a electrospray ionization (ESI) source and showed a consistent relative abundance for each peak over time. A total of four seized drug samples provided by the local forensic laboratory were analyzed in order to demonstrate the utility of this approach. The results of this study suggest that both IMS and DART-QTOF are promising alternatives for the rapid screening and characterization of these new psychoactive substances.

  7. Materials Challenges and Opportunities of Lithium-ion Batteries for Electrical Energy Storage

    NASA Astrophysics Data System (ADS)

    Manthiram, Arumugam

    2011-03-01

    Electrical energy storage has emerged as a topic of national and global importance with respect to establishing a cleaner environment and reducing the dependence on foreign oil. Batteries are the prime candidates for electrical energy storage. They are the most viable near-term option for vehicle applications and the efficient utilization of intermittent energy sources like solar and wind. Lithium-ion batteries are attractive for these applications as they offer much higher energy density than other rechargeable battery systems. However, the adoption of lithium-ion battery technology for vehicle and stationary storage applications is hampered by high cost, safety concerns, and limitations in energy, power, and cycle life, which are in turn linked to severe materials challenges. This presentation, after providing an overview of the current status, will focus on the physics and chemistry of new materials that can address these challenges. Specifically, it will focus on the design and development of (i) high-capacity, high-voltage layered oxide cathodes, (ii) high-voltage, high-power spinel oxide cathodes, (iii) high-capacity silicate cathodes, and (iv) nano-engineered, high-capacity alloy anodes. With high-voltage cathodes, a critical issue is the instability of the electrolyte in contact with the highly oxidized cathode surface and the formation of solid-electrolyte interfacial (SEI) layers that degrade the performance. Accordingly, surface modification of cathodes with nanostructured materials and self-surface segregation during the synthesis process to suppress SEI layer formation and enhance the energy, power, and cycle life will be emphasized. With the high-capacity alloy anodes, a critical issue is the huge volume change occurring during the charge-discharge process and the consequent poor cycle life. Dispersion of the active alloy nanoparticles in an inactive metal oxide-carbon matrix to mitigate this problem and realize long cycle life will be presented.

  8. Influence of instrumental parameters on the kinetic energy of ions and plasma temperature for a hexapole collision/reaction-cell-based inductively coupled plasma quadrupole mass spectrometer.

    PubMed

    Favre, Georges; Brennetot, René; Chartier, Frédéric; Tortajada, Jeanine

    2009-02-01

    Inductively coupled plasma mass spectrometry (ICP-MS) is widely used in inorganic analytical chemistry for element and/or isotope ratio measurements. The presence of interferences, which is one of the main limitations of this method, has been addressed in recent years with the introduction of collision/reaction cell devices on ICP-MS apparatus. The study of ion-molecule reactions in the gas phase then became of great importance for the development of new analytical strategies. Knowing the kinetic energy and the electronic states of the ions prior to their entrance into the cell, i.e., just before they react, thereby constitutes crucial information for the interpretation of the observed reactivities. Such studies on an ICP-MS commonly used for routine analyses require the determination of the influence of different instrumental parameters on the energy of the ions and on the plasma temperature from where ions are sampled. The kinetic energy of ions prior to their entrance into the cell has been connected to the voltage applied to the hexapole according to a linear relationship determined from measurements of ion energy losses due to collisions with neutral gas molecules. The effects of the plasma forward power, sampling depth, and the addition of a torch shield to the ICP source were then examined. A decrease of the plasma potential due to the torch shielding, already mentioned in the literature, has been quantified in this study at about 3 V.

  9. Ion-implanted PLZT ceramics: a new high-sensitivity image storage medium

    SciTech Connect

    Peercy, P.S.; Land, C.E.

    1980-01-01

    Results were presented of our studies of photoferroelectric (PFE) image storage in H- and He-ion implanted PLZT (lead lanthanum zirconate titanate) ceramics which demonstrate that the photosensitivity of PLZT can be significantly increased by ion implantation in the ceramic surface to be exposed to image light. More recently, implantations of Ar and Ar + Ne into the PLZT surface have produced much greater photosensitivity enhancement. For example, the photosensitivity after implantation with 1.5 x 10/sup 14/ 350 keV Ar/cm/sup 2/ + 1 x 10/sup 15/ 500 keV Ne/cm/sup 2/ is increased by about four orders of magnitude over that of unimplanted PLZT. Measurements indicate that the photosensitivity enhancement in ion-implanted PLZT is controlled by implantation-produced disorder which results in marked decreases in dielectric constant and dark conductivity and changes in photoconductivity of the implanted layer. The effects of Ar- and Ar + Ne-implantation are presented along with a phenomenological model which describes the enhancement in photosensitivity obtained by ion implantation. This model takes into account both light- and implantation-induced changes in conductivity and gives quantitative agreement with the measured changes in the coercive voltage V/sub c/ as a function of near-uv light intensity for both unimplanted and implanted PLZT. The model, used in conjunction with calculations of the profiles of implantation-produced disorder, has provided the information needed for co-implanting ions of different masses, e.g., Ar and Ne, to improve photosensitivity.

  10. Electrochemically active, crystalline, mesoporous covalent organic frameworks on carbon nanotubes for synergistic lithium-ion battery energy storage

    NASA Astrophysics Data System (ADS)

    Xu, Fei; Jin, Shangbin; Zhong, Hui; Wu, Dingcai; Yang, Xiaoqing; Chen, Xiong; Wei, Hao; Fu, Ruowen; Jiang, Donglin

    2015-02-01

    Organic batteries free of toxic metal species could lead to a new generation of consumer energy storage devices that are safe and environmentally benign. However, the conventional organic electrodes remain problematic because of their structural instability, slow ion-diffusion dynamics, and poor electrical conductivity. Here, we report on the development of a redox-active, crystalline, mesoporous covalent organic framework (COF) on carbon nanotubes for use as electrodes; the electrode stability is enhanced by the covalent network, the ion transport is facilitated by the open meso-channels, and the electron conductivity is boosted by the carbon nanotube wires. These effects work synergistically for the storage of energy and provide lithium-ion batteries with high efficiency, robust cycle stability, and high rate capability. Our results suggest that redox-active COFs on conducting carbons could serve as a unique platform for energy storage and may facilitate the design of new organic electrodes for high-performance and environmentally benign battery devices.

  11. Variable Permanent Magnet Quadrupole

    SciTech Connect

    Mihara, T.; Iwashita, Y.; Kumada, M.; Spencer, C.M.; /SLAC

    2007-05-23

    A permanent magnet quadrupole (PMQ) is one of the candidates for the final focus lens in a linear collider. An over 120 T/m strong variable permanent magnet quadrupole is achieved by the introduction of saturated iron and a 'double ring structure'. A fabricated PMQ achieved 24 T integrated gradient with 20 mm bore diameter, 100 mm magnet diameter and 20 cm pole length. The strength of the PMQ is adjustable in 1.4 T steps, due to its 'double ring structure': the PMQ is split into two nested rings; the outer ring is sliced along the beam line into four parts and is rotated to change the strength. This paper describes the variable PMQ from fabrication to recent adjustments.

  12. Selective crystallization with preferred lithium-ion storage capability of inorganic materials

    PubMed Central

    2012-01-01

    Lithium-ion batteries are supposed to be a key method to make a more efficient use of energy. In the past decade, nanostructured electrode materials have been extensively studied and have presented the opportunity to achieve superior performance for the next-generation batteries which require higher energy and power densities and longer cycle life. In this article, we reviewed recent research activities on selective crystallization of inorganic materials into nanostructured electrodes for lithium-ion batteries and discuss how selective crystallization can improve the electrode performance of materials; for example, selective exposure of surfaces normal to the ionic diffusion paths can greatly enhance the ion conductivity of insertion-type materials; crystallization of alloying-type materials into nanowire arrays has proven to be a good solution to the electrode pulverization problem; and constructing conversion-type materials into hollow structures is an effective approach to buffer the volume variation during cycling. The major goal of this review is to demonstrate the importance of crystallization in energy storage applications. PMID:22353373

  13. Ion-conduction mechanisms in NaSICON-type membranes for energy storage and utilization

    SciTech Connect

    McDaniel, Anthony H.; Ihlefeld, Jon F.; Bartelt, Norman Charles

    2015-10-01

    Next generation metal-ion conducting membranes are key to developing energy storage and utilization technologies like batteries and fuel ce lls. Sodium super-ionic conductors (aka NaSICON) are a class of compounds with AM 1 M 2 (PO 4 ) 3 stoichiometry where the choice of "A" and "M" cation varies widely. This report, which de scribes substitutional derivatives of NZP (NaZr 2 P 3 O 12 ), summarizes the accomplishments of a Laboratory D irected Research and Development (LDRD) project to analyze transport mec hanisms using a combination of in situ studies of structure, composition, and bonding, com bined with first principles theory and modeling. We developed an experimental platform and applied methods, such as synchrotron- based X-ray spectroscopies, to probe the electronic structure of compositionally well-controlled NaSICON films while in operation ( i.e ., conducting Na ions exposed to oxygen or water va por atmospheres). First principles theory and modeling were used to interpret the experimental observations and develop an enhanced understanding of atomistic processes that give rise to, and affect, ion conduction.

  14. Comparison of conventional and novel quadrupole drift tube magnets inspired by Klaus Halbach

    SciTech Connect

    Feinberg, B.

    1995-02-01

    Quadrupole drift tube magnets for a heavy-ion linac provide a demanding application of magnet technology. A comparison is made of three different solutions to the problem of providing an adjustable high-field-strength quadrupole magnet in a small volume. A conventional tape-wound electromagnet quadrupole magnet (conventional) is compared with an adjustable permanent-magnet/iron quadrupole magnet (hybrid) and a laced permanent-magnet/iron/electromagnet (laced). Data is presented from magnets constructed for the SuperHILAC heavy-ion linear accelerator, and conclusions are drawn for various applications.

  15. Mechanism of Formation of the Major Estradiol Product Ions Following Collisional Activation of the Molecular Anion in a Tandem Quadrupole Mass Spectrometer

    NASA Astrophysics Data System (ADS)

    Wooding, Kerry M.; Barkley, Robert M.; Hankin, Joseph A.; Johnson, Christopher A.; Bradford, Andrew P.; Santoro, Nanette; Murphy, Robert C.

    2013-10-01

    The importance of the mass spectral product ion structure is highlighted in quantitative assays, which typically use multiple reaction monitoring (MRM), and in the discovery of novel metabolites. Estradiol is an important sex steroid whose quantitation and metabolite identification using tandem mass spectrometry has been widely employed in numerous clinical studies. Negative electrospray ionization tandem mass spectrometry of estradiol (E2) results in several product ions, including the abundant m/z 183 and 169. Although m/z 183 is one of the most abundant product ions used in many quantitative assays, the structure of m/z 183 has not been rigorously examined. We suggest a structure for m/z 183 and a mechanism of formation consistent with collision induced dissociation (CID) of E2 and several stable isotopes ([D4]-E2, [13C6]-E2, and [D1]-E2). An additional product ion from E2, namely m/z 169, has also been examined. MS3 experiments indicated that both m/z 183 and m/z 169 originate from only E2 [M - H]- m/z 271. These ions, m/z 183 and m/z 169, were also present in the collision induced decomposition mass spectra of other prominent estrogens, estrone (E1) and estriol (E3), indicating that these two product ions could be used to elucidate the estrogenic origin of novel metabolites. We propose two fragmentation schemes to explain the CID data and suggest a structure of m/z 183 and m/z 169 consistent with several isotopic variants and high resolution mass spectrometric measurements.

  16. Multi-Pass Quadrupole Mass Analyzer

    NASA Technical Reports Server (NTRS)

    Prestage, John D.

    2013-01-01

    Analysis of the composition of planetary atmospheres is one of the most important and fundamental measurements in planetary robotic exploration. Quadrupole mass analyzers (QMAs) are the primary tool used to execute these investigations, but reductions in size of these instruments has sacrificed mass resolving power so that the best present-day QMA devices are still large, expensive, and do not deliver performance of laboratory instruments. An ultra-high-resolution QMA was developed to resolve N2 +/CO+ by trapping ions in a linear trap quadrupole filter. Because N2 and CO are resolved, gas chromatography columns used to separate species before analysis are eliminated, greatly simplifying gas analysis instrumentation. For highest performance, the ion trap mode is used. High-resolution (or narrow-band) mass selection is carried out in the central region, but near the DC electrodes at each end, RF/DC field settings are adjusted to allow broadband ion passage. This is to prevent ion loss during ion reflection at each end. Ions are created inside the trap so that low-energy particles are selected by low-voltage settings on the end electrodes. This is beneficial to good mass resolution since low-energy particles traverse many cycles of the RF filtering fields. Through Monte Carlo simulations, it is shown that ions are reflected at each end many tens of times, each time being sent back through the central section of the quadrupole where ultrahigh mass filtering is carried out. An analyzer was produced with electrical length orders of magnitude longer than its physical length. Since the selector fields are sized as in conventional devices, the loss of sensitivity inherent in miniaturizing quadrupole instruments is avoided. The no-loss, multi-pass QMA architecture will improve mass resolution of planetary QMA instruments while reducing demands on the RF electronics for high-voltage/high-frequency production since ion transit time is no longer limited to a single pass. The

  17. An Electron Target/cooler for Extremely Low-Energy Ion Beams at the Electrostatic Storage Ring

    NASA Astrophysics Data System (ADS)

    Tanabe, Tetsumi; Noda, Koji; Watanabe, Ikuo

    2002-12-01

    An electrostatic storage ring for studying atomic and molecular science has been operational at KEK since May, 2000. The ring has a circumference of 8 m and can store light-to-heavy ions with an E/q of up to 30 keV. Light ions are produced with an electron cyclotron resonance ion source, while bio-molecular ions are produced with an electrospray ion source The measured 1/e-lifetimes of stored single-charge ions injected from the electron cyclotron resonance ion source are from 10 to 50 s. On the other hand, ions from the electrospray ion source have lifetimes from 12 to 20 s. These lifetimes are long enough to cool vibrationally excited molecular ions, and their intensities are tolerable for practical use, like atomic collision experiments. In order to study electron-ion collisions, an electron beam target has been designed, which will be installed in a straight section of the ring. The structure of the target is almost the same as an electron cooler consisting of an adiabatically expanded electron beam; the target can also function as an electron cooler for light-mass ions.

  18. Analysis of lignans in Schisandra chinensis and rat plasma by high-performance liquid chromatography diode-array detection, time-of-flight mass spectrometry and quadrupole ion trap mass spectrometry.

    PubMed

    Lou, Ziyang; Zhang, Hai; Gong, Chungui; Zhu, Zhenyu; Zhao, Liang; Xu, Yuanjie; Wang, Bin; Zhang, Guoqing

    2009-03-01

    High-performance liquid chromatography/diode-array detection (HPLC/DAD), time-of-flight mass spectrometry (HPLC/TOFMS) and quadrupole ion trap mass spectrometry (HPLC/QIT-MS) were used for separation, identification and structural analysis of lignans in Schisandra chinensis and rat plasma after oral administration of the herbal extract. Six lignans in Schisandra chinensis extract were identified unambiguously by comparing the retention time, their characteristic ultraviolet (UV) absorption and accurate mass measurement. A formula database of known lignans in Schisandra chinensis was established, against which the other 15 lignans were identified effectively based on the accurate extract masses and formulae acquired by HPLC/TOFMS. In order to distinguish the isomers, multi-stage mass spectrometry (ion trap mass spectrometry, MSn) was also used. The fragmentation behavior of the lignans in the ion trap mass spectrometer was studied by the six lignan standards, and their fragmentation rules in MSn spectra were summarized. These deduced fragmentation rules of lignans were successfully implemented in distinguishing the three groups of isomers in Schisandra chinensis by HPLC/QIT-MS. By using the three different analytical techniques, 21 lignans in Schisandra chinensis were identified within 30 min. After oral administration of the extract, 11 lignans in rat plasma were detected and identified by comparing their retention time, characteristic UV absorption and accurate mass measurement of peaks in HPLC/TOFMS chromatograms of the herbal extract. Finally, HPLC/TOFMS fingerprints of Schisandra chinensis in vitro and rat plasma in vivo were established. It is concluded that a rapid and effective method based on three analytical techniques for identification of chemical components was established, which is useful for rapid identification of multiple components in Schisandra chinensis in vitro and in vivo. In addition, it can provide help for further pharmacology and action

  19. Targeted analysis of multiple pharmaceuticals, plant toxins and other secondary metabolites in herbal dietary supplements by ultra-high performance liquid chromatography-quadrupole-orbital ion trap mass spectrometry.

    PubMed

    Vaclavik, Lukas; Krynitsky, Alexander J; Rader, Jeanne I

    2014-01-31

    In this study, an ultra-high performance liquid chromatography-quadrupole-orbital ion trap mass spectrometry (UHPLC-Q-orbitrap MS) method was developed and validated for simultaneous determination of 96 pharmaceuticals, plant toxins, and other plant secondary metabolites in herbal dietary supplements. Target analytes were extracted from samples using the QuEChERS (quick easy cheap effective rugged safe) procedure. The instrument was operated in full MS-data dependent tandem mass spectrometry (full MS-dd-MS/MS) acquisition mode which enabled collection of quantitative high resolution (HR) full mass spectral data and confirmatory HR MS/MS data in a single run. The method provided excellent selectivity in both full MS and dd-MS/MS mode. Under optimized collision energy settings, product ion spectra containing both precursor and two or more product ions were obtained for most of the analytes. Limits of detection (LODs) and limits of quantification (LOQs) for the method differed significantly for the examined matrices. LODs≤10μg kg(-1) and LOQs≤50μg kg(-1) were obtained for 48 to 81% of target compounds across five different matrices. With the exception of highly polar analytes, the optimized QuEChERS extraction procedure provided acceptable recoveries in the range 70%-120%. The precision of the method, characterized as the relative standard deviation (RSD, n=5), was ≤25% and ≤18% at spiking concentrations of 50μg kg(-1) and 500μg kg(-1), respectively. Because of variations in matrix effects in extracts of herbal dietary supplements that differed in composition, the method of standard additions and an approach based on dilution of matrix components followed by quantification using solvent standards were applied for quantification. The procedure was used to examine commercial dietary supplements for the 96 analytes of interest. To the best of our knowledge, this is the first report of an integrated analysis and quantification of this wide range of compounds.

  20. Diagnostic filtering to screen polycyclic polyprenylated acylphloroglucinols from Garcinia oblongifolia by ultrahigh performance liquid chromatography coupled with ion mobility quadrupole time-of-flight mass spectrometry.

    PubMed

    Zhang, Hong; Zheng, Dan; Li, Hao-Hao; Wang, Hui; Tan, Hong-Sheng; Xu, Hong-Xi

    2016-03-17

    A novel multistage MS approach, insource collision-induced dissociation (CID) combined with Time Aligned Parallel (TAP) fragmentation, was established to study the fragmentation behavior of polycyclic polyprenylated acylphloroglucinols (PPAPs), which could provide a more reliable fragmentation relationship between precursor and daughter ions. The diagnostic ions for different subtypes of PPAPs and their fragmentation behaviors have been summarized. Moreover, a new and reliable multidimensional analytical workflow that combines ultrahigh performance liquid chromatography (UHPLC), data-independent mass spectrometry (MS(E)), and tandem MS with ion mobility (IM) has been optimized and established for the analysis of PPAPs in the plant Garcinia oblongifolia by diagnostic filtering. Diagnostic fragment ions were used to selectively screen PPAPs from extracts, whereas IM coupled to MS was used to maximize the peak capacity. Under the optimized UHPLC-IM-MS(E) and UHPLC-IM-MS/MS method, 140 PPAPs were detected from the crude extract of G. oblongifolia, and 10 of them were unambiguously identified by comparing them to the reference compounds. Among those PPAPs, 7 pairs of coeluting isobaric PPAPs that were indistinguishable by conventional UHPLC-HRMS alone, were further resolved using UHPLC-IM-MS. It is anticipated that the proposed method will be extended to the rapid screening and characterization of the other targeted or untargeted compounds, especially these coeluting isomers in complex samples.

  1. Growth of Si nanowires in porous carbon with enhanced cycling stability for Li-ion storage

    NASA Astrophysics Data System (ADS)

    Zhao, Xiaoxu; Rui, Xianhong; Zhou, WenWen; Tan, Liping; Yan, Qingyu; Lu, Ziyang; Hng, Huey Hoon

    2014-03-01

    Si nanowires are successfully grown in porous carbon by supercritical fluid-liquid-solid (SFLS) process, which show high specific capacities and charge-discharge cycling stability as anode materials for Li-ion storage. The enhancement capacity and cycling stability of the Si nanowires/porous carbon composite nanostructures is attributed to the porous carbon serving as a highly conductive framework and absorption of volume changes of Si nanowires during the lithiation/delithiation process. At optimized condition, the Si nanowires/porous carbon electrodes maintain reversible capacities of 1678 mAh g-1 for the 100th cycle at a current density of 420 mA g-1, which is much better as compared to that of pure Si nanowires.

  2. Electron Spectroscopy In Heavy-Ion Storage Rings: Resonant and Non-Resonant Electron Transfer Processes

    SciTech Connect

    Hagmann, S.; Stoehlker, Th.; Trotsenko, S.; Kozhuharov, Ch.; Spillmann, U.; Bosch, F.; Liesen, D.; Winters, D.; Hillenbrand, P.-M.; Shabaev, V.; Tupitsyn, I.; Kozhedub, Y.; Rothard, H.; Reuschl, R.; Ullrich, J.; Moshammer, R.; Voitkiv, A.; Surzhykov, A.; Fischer, D.; Doerner, R.

    2011-06-01

    Whereas our understanding of total cross sections for ionization and capture processes in ion-atom collisions is widely viewed as having arrived at a state of adequate maturity, the same cannot be said at all about the dynamics of collisions, multi-electron processes or the electron continua (in target and projectile) which are at the origin of total cross sections. We depict how these processes can be studied favourably in storage ring environments. We present examples of resonant and non-resonant electron transfer processes, radiative and non-radiative. This is elucidated via the relation of the electron nucleus bremsstrahlung at the high energy tip of the bremsstrahlung spectrum to the radiative electron capture cusp (RECC) and a new approach to determining molecular orbital binding energies in superheavy quasi-molecules in resonant KK charge transfer.

  3. Control of a lithium-ion battery storage system for microgrid applications

    NASA Astrophysics Data System (ADS)

    Pegueroles-Queralt, Jordi; Bianchi, Fernando D.; Gomis-Bellmunt, Oriol

    2014-12-01

    The operation of future microgrids will require the use of energy storage systems employing power electronics converters with advanced power management capacities. This paper presents the control scheme for a medium power lithium-ion battery bidirectional DC/AC power converter intended for microgrid applications. The switching devices of a bidirectional DC converter are commanded by a single sliding mode control law, dynamically shaped by a linear voltage regulator in accordance with the battery management system. The sliding mode controller facilitates the implementation and design of the control law and simplifies the stability analysis over the entire operating range. Control parameters of the linear regulator are designed to minimize the impact of commutation noise in the DC-link voltage regulation. The effectiveness of the proposed control strategy is illustrated by experimental results.

  4. Dissociative recombination measurements of NH{sup +} using an ion storage ring

    SciTech Connect

    Novotný, O.; Savin, D. W.; Berg, M.; Bing, D.; Buhr, H.; Grieser, M.; Grussie, F.; Krantz, C.; Mendes, M. B.; Nordhorn, C.; Repnow, R.; Schwalm, D.; Yang, B.; Wolf, A.; Geppert, W.

    2014-09-10

    We have investigated dissociative recombination (DR) of NH{sup +} with electrons using a merged beams configuration at the TSR heavy-ion storage ring located at the Max Planck Institute for Nuclear Physics in Heidelberg, Germany. We present our measured absolute merged-beams recombination rate coefficient for collision energies from 0 to 12 eV. From these data, we have extracted a cross section, which we have transformed to a plasma rate coefficient for the collisional plasma temperature range from T {sub pl} = 10 to 18,000 K. We show that the NH{sup +} DR rate coefficient data in current astrochemical models are underestimated by up to a factor of approximately nine. Our new data will result in predicted NH{sup +} abundances lower than those calculated by present models. This is in agreement with the sensitivity limits of all observations attempting to detect NH{sup +} in interstellar clouds.

  5. Photodissociation of an Internally Cold Beam of CH+ Ions in a Cryogenic Storage Ring

    NASA Astrophysics Data System (ADS)

    O'Connor, A. P.; Becker, A.; Blaum, K.; Breitenfeldt, C.; George, S.; Göck, J.; Grieser, M.; Grussie, F.; Guerin, E. A.; von Hahn, R.; Hechtfischer, U.; Herwig, P.; Karthein, J.; Krantz, C.; Kreckel, H.; Lohmann, S.; Meyer, C.; Mishra, P. M.; Novotný, O.; Repnow, R.; Saurabh, S.; Schwalm, D.; Spruck, K.; Sunil Kumar, S.; Vogel, S.; Wolf, A.

    2016-03-01

    We have studied the photodissociation of CH+ in the Cryogenic Storage Ring at ambient temperatures below 10 K. Owing to the extremely high vacuum of the cryogenic environment, we were able to store CH+ beams with a kinetic energy of ˜60 keV for several minutes. Using a pulsed laser, we observed Feshbach-type near-threshold photodissociation resonances for the rotational levels J =0 - 2 of CH+, exclusively. In comparison to updated, state-of-the-art calculations, we find excellent agreement in the relative intensities of the resonances for a given J , and we can extract time-dependent level populations. Thus, we can monitor the spontaneous relaxation of CH+ to its lowest rotational states and demonstrate the preparation of an internally cold beam of molecular ions.

  6. Fabrication of Nb2O5 Nanosheets for High-rate Lithium Ion Storage Applications

    PubMed Central

    Liu, Meinan; Yan, Cheng; Zhang, Yuegang

    2015-01-01

    Nb2O5 nanosheets are successfully synthesized through a facile hydrothermal reaction and followed heating treatment in air. The structural characterization reveals that the thickness of these sheets is around 50 nm and the length of sheets is 500 ~ 800 nm. Such a unique two dimensional structure enables the nanosheet electrode with superior performance during the charge-discharge process, such as high specific capacity (~184 mAh·g−1) and rate capability. Even at a current density of 1 A·g−1, the nanosheet electrode still exhibits a specific capacity of ~90 mAh·g−1. These results suggest the Nb2O5 nanosheet is a promising candidate for high-rate lithium ion storage applications. PMID:25659574

  7. Photodissociation of an Internally Cold Beam of CH^{+} Ions in a Cryogenic Storage Ring.

    PubMed

    O'Connor, A P; Becker, A; Blaum, K; Breitenfeldt, C; George, S; Göck, J; Grieser, M; Grussie, F; Guerin, E A; von Hahn, R; Hechtfischer, U; Herwig, P; Karthein, J; Krantz, C; Kreckel, H; Lohmann, S; Meyer, C; Mishra, P M; Novotný, O; Repnow, R; Saurabh, S; Schwalm, D; Spruck, K; Sunil Kumar, S; Vogel, S; Wolf, A

    2016-03-18

    We have studied the photodissociation of CH^{+} in the Cryogenic Storage Ring at ambient temperatures below 10 K. Owing to the extremely high vacuum of the cryogenic environment, we were able to store CH^{+} beams with a kinetic energy of ∼60  keV for several minutes. Using a pulsed laser, we observed Feshbach-type near-threshold photodissociation resonances for the rotational levels J=0-2 of CH^{+}, exclusively. In comparison to updated, state-of-the-art calculations, we find excellent agreement in the relative intensities of the resonances for a given J, and we can extract time-dependent level populations. Thus, we can monitor the spontaneous relaxation of CH^{+} to its lowest rotational states and demonstrate the preparation of an internally cold beam of molecular ions.

  8. Theoretical investigation of flute modes in a magnetic quadrupole

    SciTech Connect

    Wu, H.S.

    1988-01-01

    This research developed theories and conducted numerical investigations of electrostatic flute modes in a plasma confined in a magnetic quadrupole. Chapter I presents the discussion of relevant background. Chapter II contains a brief discussion of the basic flute-mode operator L{sub 0} for intermediate- and low-frequency regimes. Chapter III develops a simple theory for a flute mode with frequency between the electron and ion bounce frequencies in the uniform density and temperature regions of a magnetic quadrupole. The frequency is predicted to be inversely proportional to the wave number. Chapter IV describes the kinetic approach. Chapter V contains the derivation of an eigenvalue equation for electrostatic waves with frequencies below the ion frequency in the private flux region of a magnetic quadrupole. Chapter VI develops a theory for electrostatic waves with frequency below the ion bounce frequency in the shared flux region of a magnetic quadrupole. Chapter VII contains the derivation of a dispersion equation for flute modes with frequencies between the electron and ion bounce frequencies in a plasma confined to a magnetic quadrupole. Chapter VIII presents a summary of the research described.

  9. Theoretical investigation of flute modes in a magnetic quadrupole

    SciTech Connect

    Wu, H.S.

    1988-01-01

    The objective of this research is to develop theories and conduct numerical investigations of electrostatic flute modes in a plasma confined in magnetic quadrupole. Chapter I presents the discussion of relevant background. Chapter II contains a brief discussion of the basic flute-mode operator L{sub 0} for intermediate- and low frequency regimes. Chapter III develops a simple theory for a flute mode with frequency between the electron and ion bounce frequencies in the uniform density and temperature regions of a magnetic quadrupole. Chapter IV describes the kinetic approach. Chapter V contains the derivation of an eigenvalue equation for electrostatic waves with frequencies below the ion frequency in the private flux region of a magnetic quadrupole. Chapter VI develops a theory for electrostatic waves with frequency below the ion bounce frequency in the shared flux region of a magnetic quadrupole. Chapter VII contains the derivation of a dispersion equation for flute modes with frequencies between the electron and ion ounce frequencies in a plasma confined to a magnetic quadrupole. Two intermediate-frequency modes are predicted.

  10. Nanoscale Engineering of Heterostructured Anode Materials for Boosting Lithium-Ion Storage.

    PubMed

    Chen, Gen; Yan, Litao; Luo, Hongmei; Guo, Shaojun

    2016-09-01

    Rechargeable lithium-ion batteries (LIBs), as one of the most important electrochemical energy-storage devices, currently provide the dominant power source for a range of devices, including portable electronic devices and electric vehicles, due to their high energy and power densities. The interest in exploring new electrode materials for LIBs has been drastically increasing due to the surging demands for clean energy. However, the challenging issues essential to the development of electrode materials are their low lithium capacity, poor rate ability, and low cycling stability, which strongly limit their practical applications. Recent remarkable advances in material science and nanotechnology enable rational design of heterostructured nanomaterials with optimized composition and fine nanostructure, providing new opportunities for enhancing electrochemical performance. Here, the progress as to how to design new types of heterostructured anode materials for enhancing LIBs is reviewed, in the terms of capacity, rate ability, and cycling stability: i) carbon-nanomaterials-supported heterostructured anode materials; ii) conducting-polymer-coated electrode materials; iii) inorganic transition-metal compounds with core@shell structures; and iv) combined strategies to novel heterostructures. By applying different strategies, nanoscale heterostructured anode materials with reduced size, large surfaces area, enhanced electronic conductivity, structural stability, and fast electron and ion transport, are explored for boosting LIBs in terms of high capacity, long cycling lifespan, and high rate durability. Finally, the challenges and perspectives of future materials design for high-performance LIB anodes are considered. The strategies discussed here not only provide promising electrode materials for energy storage, but also offer opportunities in being extended for making a variety of novel heterostructured nanomaterials for practical renewable energy applications.

  11. Methanol chemical ionization quadrupole ion trap mass spectrometry of O-ethyl S-[2-(diisopropylamino)ethyl] methylphosphonothiolate (VX) and its degradation products.

    PubMed

    Rohrbaugh, D K

    2000-10-06

    Mass spectrometric analysis of O-ethyl S-[2-(diisopropylamino)ethyl] methylphosphonothiolate (VX) degradation products by electron ionization produces extensive fragmentation with little or no molecular ion information making product identification difficult. Milder chemical ionization (CI) is commonly used to provide molecular mass and structure confirmation. In this study, methanol was used as a CI reagent in combination with an ion trap detector for detection and identification of over 30 compounds present in a thermally degraded sample of VX. The use of methanol provides superior results for this class of compounds with less fragmentation than commonly observed with gas reagents and offers logistical advantages for on-site analysis by being easier to transport and safer to use than gas cylinders.

  12. MQXFS1 Quadrupole Design Report

    SciTech Connect

    Ambrosio, Giorgio

    2016-04-14

    This report presents the reference design of MQXFS1, the first 1.5 m prototype of the low-beta quadrupoles (MQXF) for the LHC High Luminosity Upgrade. The MQXF quadrupoles have 150 mm aperture, coil peak field of about 12 T, and use $Nb_{3}Sn$ conductor. The design is based on the LARP HQ quadrupoles, which had 120 mm aperture. MQXFS1 has 1st generation cable cross-section and magnetic design.

  13. Frequency measurement of the 2S(1/2)-2D(3/2) electric quadrupole transition in a single 171Yb+ ion.

    PubMed

    Webster, Stephen; Godun, Rachel; King, Steven; Huang, Guilong; Walton, Barney; Tsatourian, Veronika; Margolis, Helen; Lea, Stephen; Gill, Patrick

    2010-03-01

    We report on precision laser spectroscopy of the 2S(1/2)(F = 0)-2D(3/2) (F = 2, m(F) = 0) clock transition in a single ion of 171Yb+. The absolute value of the transition frequency, determined using an optical frequency comb referenced to a hydrogen maser, is 688358979309310 +/- 9 Hz. This corresponds to a fractional frequency uncertainty of 1.3 x 10(-14).

  14. PRINCIPLE OF SKEW QUADRUPOLE MODULATION TO MEASURE BETATRON COUPLING.

    SciTech Connect

    LUO.Y.PILAT,F.ROSER,T.ET AL.

    2004-07-05

    The measurement of the residual betatron coupling via skew quadrupole modulation is a new diagnostics technique that has been developed and tested at the Relativistic Heavy Ion Collider (RHIC) as a very promising method for the linear decoupling on the ramp. By modulating the strengths of different skew quadrupole families the two eigentunes are precisely measured with the phase lock loop system. The projections of the residual coupling coefficient onto the skew quadrupole coupling modulation directions are determined. The residual linear coupling could be corrected according to the measurement. An analytical solution for skew quadrupole modulation based on Hamiltonian perturbation approximation is given, and simulation code using smooth accelerator model is also developed. Some issues concerning the practical applications of this technique are discussed.

  15. Electron Transfer Dissociation of All Ions at All Times, MSETD, in a Quadrupole Time-of-Flight (Q-ToF) Mass Spectrometer

    NASA Astrophysics Data System (ADS)

    Cramer, Christian N.; Brown, Jeffery M.; Tomczyk, Nick; Nielsen, Peter Kresten; Haselmann, Kim F.

    2017-02-01

    Data-independent mass spectral acquisition is particularly powerful when combined with ultra-performance liquid chromatography (LC) that provides excellent separation of most components present in a given sample. Data-independent analysis (DIA) consists of alternating full MS scans and scans with fragmentation of all ions within a selected m/z range, providing precursor masses and structure information, respectively. Fragmentation spectra are acquired either by sequential isolation and fragmentation of sliding m/z ranges or fragmenting all ions entering the MS instrument with no ion isolation, termed broadband DIA. Previously, broadband DIA has only been possible using collision induced dissociation (CID). Here, we report the use of electron transfer dissociation (ETD) as the fragmentation technique in broadband DIA instead of traditional collision induced dissociation (CID) during MSE. In this approach, which we refer to as MSETD, we implement the inherent benefits provided by ETD, such as discrimination of leucine and isoleucine, in a DIA setup. The combination of DIA analysis and ETD fragmentation with supplemental CID energy provides a powerful platform to obtain information on all precursors and their sequence from a single experiment.

  16. Analysis of phenolic and triterpenoid compounds in licorice and rat plasma by high-performance liquid chromatography diode-array detection, time-of-flight mass spectrometry and quadrupole ion trap mass spectrometry.

    PubMed

    Tan, Guangguo; Zhu, Zhenyu; Zhang, Hai; Zhao, Liang; Liu, Yi; Dong, Xin; Lou, Ziyang; Zhang, Guoqing; Chai, Yifeng

    2010-01-01

    High-performance liquid chromatography with diode-array detection (HPLC/DAD), time-of-flight mass spectrometry (HPLC/TOFMS) and quadrupole ion trap mass spectrometry (HPLC/QITMS) were used for separation and identification of several compounds in licorice and rat plasma after oral administration of the herbal extract. Three phenolic compounds and one triterpenoid in licorice extract were unambiguously identified by comparing with the standard compounds. A formula database of known compounds in licorice was established, against which the other 42 compounds were identified effectively based on the accurate extract masses and formulae acquired by HPLC/TOFMS. In order to differentiate the isomers, tandem mass spectrometry was also used. The deduced fragmentation behaviors in QITMS were used to distinguish seven groups of isomers in licorice. By means of the three detectors, 46 compounds in licorice were identified. After oral administration of the extract, 25 compounds in rat plasma were detected and identified by comparing and contrasting the compounds measured in licorice with those in the plasma samples by HPLC/TOFMS. It is concluded that a rapid and effective method based on three analytical techniques was established, which is useful for identification of multiple compounds in licorice in vitro and in vivo. The result should be very useful for the quality control and curative mechanism study of licorice.

  17. Determination of sulfonamide antibiotics and metabolites in liver, muscle and kidney samples by pressurized liquid extraction or ultrasound-assisted extraction followed by liquid chromatography-quadrupole linear ion trap-tandem mass spectrometry (HPLC-QqLIT-MS/MS).

    PubMed

    Hoff, Rodrigo Barcellos; Pizzolato, Tânia Mara; Peralba, Maria do Carmo Ruaro; Díaz-Cruz, M Silvia; Barceló, Damià

    2015-03-01

    Sulfonamides are widely used in human and veterinary medicine. The presence of sulfonamides residues in food is an issue of great concern. Throughout the present work, a method for the targeted analysis of 16 sulfonamides and metabolites residue in liver of several species has been developed and validated. Extraction and clean-up has been statistically optimized using central composite design experiments. Two extraction methods have been developed, validated and compared: i) pressurized liquid extraction, in which samples were defatted with hexane and subsequently extracted with acetonitrile and ii) ultrasound-assisted extraction with acetonitrile and further liquid-liquid extraction with hexane. Extracts have been analyzed by liquid chromatography-quadrupole linear ion trap-tandem mass spectrometry. Validation procedure has been based on the Commission Decision 2002/657/EC and included the assessment of parameters such as decision limit (CCα), detection capability (CCβ), sensitivity, selectivity, accuracy and precision. Method׳s performance has been satisfactory, with CCα values within the range of 111.2-161.4 µg kg(-1), limits of detection of 10 µg kg(-1) and accuracy values around 100% for all compounds.

  18. Rapid identification of betacyanins from Amaranthus tricolor, Gomphrena globosa, and Hylocereus polyrhizus by matrix-assisted laser desorption/ionization quadrupole ion trap time-of-flight mass spectrometry (MALDI-QIT-TOF MS).

    PubMed

    Cai, Yi-Zhong; Xing, Jie; Sun, Mei; Corke, Harold

    2006-09-06

    Natural betacyanins have attracted great attention as food colorants and potential antioxidants. Matrix-assisted laser desorption/ionization quadrupole ion trap time-of-flight mass spectrometry (MALDI-QIT-TOF MS) is a new and powerful technique for the identification of low molecular weight compounds. This study is the first to employ MALDI-QIT-TOF MS to rapidly identify, within a few minutes, a great number of betacyanins in crude extracts from Amaranthus tricolor seedlings, Gomphrena globosa flowers, and Hylocereus polyrhizus fruits. The fresh crude extract samples without any purification were directly used for MALDI-QIT-TOF MS analysis with 2,5-dihydroxybenzoic acid as a matrix. The MS2 and MS3 spectrometric data acquired could provide important characteristic information for structural elucidation of the betacyanins. Fourteen free and acylated betacyanins, belonging to amaranthin-type, betanin-type, and gomphrenin-type betacyanins, respectively, were identified. However, the related isomers should be differentiated with the aid of HPLC.

  19. HISTRAP: Proposal for a Heavy Ion Storage Ring for Atomic Physics

    SciTech Connect

    Not Available

    1988-11-01

    This paper presents an overview of the physics capabilities of HISTRAP together with a brief description of the facility and a sampling of the beams which will be available for experimentation, and surveys some of the lines of investigation in the physics of multicharged ions, molecular ion spectroscopy, condensed beams, and nuclear physics that will become possible with the advent of HISTRAP. Details of the accelerator design are discussed, including computer studies of beam tracking in the HISTRAP lattice, a discussion of the HHIRF tandem and ECR/RFQ injectors, and a description of the electron beam cooling system. In the past three years, HISTRAP has received substantial support from Oak Ridge National Laboratory management and staff. The project has used discretionary funds to develop hardware prototypes and carry out design studies. Construction has been completed on a vacuum test stand which models 1/16 of the storage ring and has attained a pressure of 4 x 10/sup -12/ Torr; a prototype rf cavity capable of accelerating beams up to 90 MeV/nucleon and decelerating to 20 keV/nucleon; and a prototype dipole magnet, one of the eight required for the HISTRAP lattice. This paper also contains a summary of the work on electron cooling carried out by one of our staff members at CERN. Building structures and services are described. Details of cost and schedule are also discussed. 77 refs.

  20. Ion colliders

    SciTech Connect

    Fischer, W.

    2011-12-01

    Ion colliders are research tools for high-energy nuclear physics, and are used to test the theory of Quantum Chromo Dynamics (QCD). The collisions of fully stripped high-energy ions create matter of a temperature and density that existed only microseconds after the Big Bang. Ion colliders can reach higher densities and temperatures than fixed target experiments although at a much lower luminosity. The first ion collider was the CERN Intersecting Storage Ring (ISR), which collided light ions [77Asb1, 81Bou1]. The BNL Relativistic Heavy Ion Collider (RHIC) is in operation since 2000 and has collided a number of species at numerous energies. The CERN Large Hadron Collider (LHC) started the heavy ion program in 2010. Table 1 shows all previous and the currently planned running modes for ISR, RHIC, and LHC. All three machines also collide protons, which are spin-polarized in RHIC. Ion colliders differ from proton or antiproton colliders in a number of ways: the preparation of the ions in the source and the pre-injector chain is limited by other effects than for protons; frequent changes in the collision energy and particle species, including asymmetric species, are typical; and the interaction of ions with each other and accelerator components is different from protons, which has implications for collision products, collimation, the beam dump, and intercepting instrumentation devices such a profile monitors. In the preparation for the collider use the charge state Z of the ions is successively increased to minimize the effects of space charge, intrabeam scattering (IBS), charge change effects (electron capture and stripping), and ion-impact desorption after beam loss. Low charge states reduce space charge, intrabeam scattering, and electron capture effects. High charge states reduce electron stripping, and make bending and acceleration more effective. Electron stripping at higher energies is generally more efficient. Table 2 shows the charge states and energies in the

  1. An introduction to quadrupole-time-of-flight mass spectrometry.

    PubMed

    Chernushevich, I V; Loboda, A V; Thomson, B A

    2001-08-01

    A brief introduction is presented to the basic principles and application of a quadrupole-time-of-flight (TOF) tandem mass spectrometer. The main features of reflecting TOF instruments with orthogonal injection of ions are discussed. Their operation and performance are compared with those of triple quadrupoles with electrospray ionization and matrix-assisted laser desorption/ionization (MALDI) TOF mass spectrometers. Examples and recommendations are provided for all major operational modes: mass spectrometry (MS) and tandem MS (MS/MS), precursor ion scans and studies of non-covalent complexes. Basic algorithms for liquid chromatography/MS/MS automation are discussed and illustrated by two applications.

  2. Controlling interlayer interactions in vanadium pentoxide-poly(ethylene oxide) nanocomposites for enhanced magnesium-ion charge transport and storage

    NASA Astrophysics Data System (ADS)

    Perera, Sanjaya D.; Archer, Randall B.; Damin, Craig A.; Mendoza-Cruz, Rubén; Rhodes, Christopher P.

    2017-03-01

    Rechargeable magnesium batteries provide the potential for lower cost and improved safety compared with lithium-ion batteries, however obtaining cathode materials with highly reversible Mg-ion capacities is hindered by the high polarizability of divalent Mg-ions and slow solid-state Mg-ion diffusion. We report that incorporating poly(ethylene oxide) (PEO) between the layers of hydrated vanadium pentoxide (V2O5) xerogels results in significantly improved reversible Mg-ion capacities. X-ray diffraction and high resolution transmission electron microscopy show that the interlayer spacing between V2O5 layers was increased by PEO incorporation. Vibrational spectroscopy supports that the polymer interacts with the V2O5 lattice. The V2O5-PEO nanocomposite exhibited a 5-fold enhancement in Mg-ion capacity, improved stability, and improved rate capabilities compared with V2O5 xerogels. The Mg-ion diffusion coefficient of the nanocomposite was increased compared with that of V2O5 xerogels which is attributed to enhanced Mg-ion mobility due to the shielding interaction of PEO with the V2O5 lattice. This study shows that beyond only interlayer spacing, the nature of interlayer interactions of Mg-ions with V2O5, PEO, and H2O are key factors that affect Mg-ion charge transport and storage in layered materials. The design of layered materials with controlled interlayer interactions provides a new approach to develop improved cathodes for magnesium batteries.

  3. Ion storage techniques and time-of-flight mass spectrometry in physical forensic science

    SciTech Connect

    Chambers, D M; Grace, L I

    2000-06-27

    /neutral collision conditions without regard to perturbing ion secular motion. This permits overfilling of the IS and the use of air as a collisional damping gas with little effect on resolution and mass accuracy. A subsequent advantage of using air as a collisional damping gas is that it enhances ionization efficiency by providing a mechanism for chemical ionization. In addition to ion storage, the ion trap can be operated to deliver an ion packet with a spatial and kinetic energy distribution well suited for time-of-flight analysis. This mode of operation enhances sensitivity and resolution permitting the TOF-MS analyzer to be used effectively for real-time air monitoring. Among the different changes to trap operation needed for optimal operation, those modifications that minimize dispersion of the ion packet during extraction have the greatest effect on performance. Together these modifications, which include (1) phase synchronization, (2) RF clamping and (3) bipolar extraction, permit resolution of up to 1600 m/{Delta}m at FWHM and detection into the low ppb range for VOCs. Sensitivity for semi-VOCs is significantly lower and is attributed to adsorption loss in the IS envelop. We are currently investigating solutions to this limitation.

  4. Evaluation of multiple reaction monitoring cubed for the analysis of tachykinin related peptides in rat spinal cord using a hybrid triple quadrupole-linear ion trap mass spectrometer.

    PubMed

    Pailleux, Floriane; Beaudry, Francis

    2014-02-01

    Targeted peptide methods generally use HPLC-MS/MRM approaches. Although dependent on the instrumental resolution, interferences may occur while performing analysis of complex biological matrices. HPLC-MS/MRM(3) is a technique, which provides a significantly better selectivity, compared with HPLC-MS/MRM assay. HPLC-MS/MRM(3) allows the detection and quantitation by enriching standard MRM with secondary product ions that are generated within the linear ion trap. Substance P (SP) and neurokinin A (NKA) are tachykinin peptides playing a central role in pain transmission. The objective of this study was to verify whether HPLC-MS/MRM(3) could provide significant advantages over a more traditional HPLC-MS/MRM assay for the quantification of SP and NKA in rat spinal cord. The results suggest that reconstructed MRM(3) chromatograms display significant improvements with the nearly complete elimination of interfering peaks but the sensitivity (i.e. signal-to-noise ratio) was severely reduced. The precision (%CV) observed was between 3.5% and 24.1% using HPLC-MS/MRM and in the range of 4.3-13.1% with HPLC-MS/MRM(3), for SP and NKA. The observed accuracy was within 10% of the theoretical concentrations tested. HPLC-MS/MRM(3) may improve the assay sensitivity to detect difference between samples by reducing significantly the potential of interferences and therefore reduce instrumental errors.

  5. Biomass-derived carbonaceous positive electrodes for sustainable lithium-ion storage

    NASA Astrophysics Data System (ADS)

    Liu, Tianyuan; Kavian, Reza; Chen, Zhongming; Cruz, Samuel S.; Noda, Suguru; Lee, Seung Woo

    2016-02-01

    Biomass derived carbon materials have been widely used as electrode materials; however, in most cases, only electrical double layer capacitance (EDLC) is utilized and therefore, only low energy density can be achieved. Herein, we report on redox-active carbon spheres that can be simply synthesized from earth-abundant glucose via a hydrothermal process. These carbon spheres exhibit a specific capacity of ~210 mA h gCS-1, with high redox potentials in the voltage range of 2.2-3.7 V vs. Li, when used as positive electrode in lithium cells. Free-standing, flexible composite films consisting of the carbon spheres and few-walled carbon nanotubes deliver high specific capacities up to ~155 mA h gelectrode-1 with no obvious capacity fading up to 10 000 cycles, proposing to be promising positive electrodes for lithium-ion batteries or capacitors. Furthermore, considering that the carbon spheres were obtained in an aqueous glucose solution and no toxic or hazardous reagents were used, this process opens up a green and sustainable method for designing high performance, environmentally-friendly energy storage devices.Biomass derived carbon materials have been widely used as electrode materials; however, in most cases, only electrical double layer capacitance (EDLC) is utilized and therefore, only low energy density can be achieved. Herein, we report on redox-active carbon spheres that can be simply synthesized from earth-abundant glucose via a hydrothermal process. These carbon spheres exhibit a specific capacity of ~210 mA h gCS-1, with high redox potentials in the voltage range of 2.2-3.7 V vs. Li, when used as positive electrode in lithium cells. Free-standing, flexible composite films consisting of the carbon spheres and few-walled carbon nanotubes deliver high specific capacities up to ~155 mA h gelectrode-1 with no obvious capacity fading up to 10 000 cycles, proposing to be promising positive electrodes for lithium-ion batteries or capacitors. Furthermore, considering

  6. Study of a micro chamber quadrupole mass spectrometer

    SciTech Connect

    Wang Jinchan; Zhang Xiaobing; Mao Fuming; Xiao Mei; Cui Yunkang; Engelsen, Daniel den; Lei Wei

    2008-03-15

    The design of a micro chamber quadrupole mass spectrometer (MCQMS) having a small total volume of only 20 cm{sup 3}, including Faraday cup ion detector and ion source, is described. This MCQMS can resist a vacuum baking temperature of 400-500 deg. C. The quadrupole elements with a hyperbolic surface are made of a ceramic material and coated with a thin metal layer. The quadrupole mass filter has a field radius of 3 mm and a length of 100 mm. Prototypes of this new MCQMS can detect a minimum partial pressure of 10{sup -8} Pa, have a peak width of {delta}M=1 at 10% peak height from mass number 1 to 60, and show an excellent long-term stability. The new MCQMS is intended to be used in residual gas analyses of electron devices during a mutual pumping and baking process.

  7. Reliable screening and confirmation of 156 multi-class illegal adulterants in dietary supplements based on extracted common ion chromatograms by ultra-high-performance liquid chromatography-quadrupole/time of flight-mass spectrometry.

    PubMed

    Kim, Eun Hye; Seo, Hee Seung; Ki, Nam Yong; Park, Na-Hyun; Lee, Wonwoong; Do, Jung Ah; Park, Sungkwan; Baek, Sun Young; Moon, Bongjin; Oh, Han Bin; Hong, Jongki

    2017-03-31

    An analytical method for the reliable screening and confirmation of 156 illegal drugs (58 erectile dysfunction drugs, 49 synthetic steroids, 26 anabolic steroids, and 23 anti-histamine drugs) in supplementary diets using ultra-high-performance liquid chromatography coupled with quadrupole/time-of-flight mass spectrometry (UHPLC-Q/TOF-MS) was developed. Various types of supplements (liquid, capsule, powder, pill and tablet) with complicated matrices were pretreated by simple liquid-liquid extraction. The wide scope of 156 target compounds was effectively determined within 15min in the positive ion mode, detecting the compounds at a sub-ppb level. Their MS/MS spectra were preferentially investigated to find diagnostic common ions according to the structural similarity of diverse adulterants. For the rapid screening of multiple classes of the target adulterants, extracted common ion chromatograms (ECICs) based on specific fragments of similar molecular moieties were attempted. A database including the elemental compositions, retention times, and MS/MS spectra was built for the confirmation of adulterants. The established method was validated in terms of the linearity, limits of detection (LOD), precision, and accuracy. The linear correlation coefficient and limit of detection ranged from 0.9880 to 1 and from 0.02 to 16.04ng/mL, respectively. The precision and accuracy of intra- and inter-day experiments for the spiked samples at the range of 0.2 and 16.0ng/mL were from 0.16 to 13.50% and 0.19-11.48%, respectively, with relative standard deviation. Mean recoveries ranged from 81.6 to 124.7%, and relative standard deviation was less than 9.20%. The screening and confirmation method demonstrated the usefulness of UHPLC-Q/TOF-MS combined with ECICs as a promising approach for the analysis of multi-class adulterants. Finally, the established method was successfully applied for the monitoring of several types of dietary supplements in routine analysis.

  8. Direct peel monitoring of xenobiotics in fruit by direct analysis in real time coupled to a linear quadrupole ion trap-orbitrap mass spectrometer.

    PubMed

    Farré, Marinella; Picó, Yolanda; Barceló, Damià

    2013-03-05

    Study of xenobiotics present in fruit peel by exposing it (without any pretreatment) to direct analysis in real time coupled to a high-resolution orbitrap mass spectrometer (DART-HRMS) is reported for the first time. Variables such as DART gas heater temperature and pressure, source-to-MS distance, and sample velocity are investigated. The analysis of one sample by DART-MS lasts ca. 1 min, and the benefits of both high-resolution and tandem mass spectrometry to elucidate nontarget or unknown compounds are combined. Identification of postharvest fungicides, antioxidants, and sugars in fruit peel is performed in the positive ion mode. A possible elemental formula is suggested for marker components. The lowest imazalil concentration that could be detected by this system is 1 ng (equivalent to a concentration of ca. 300 μg kg(-1)), which is well below the maximum residue limit. For oranges and apples, direct peel exposition demonstrated good interday precision (within 20% for any concentration) and proper linearity (R(2) ≥ 0.99), with a dynamic range from 1 to 2500 ng for apple. A comparison of the results obtained using the direct peel screening DART-based method is made with those obtained by DART analysis of solvent extracts, as well as those obtained analyzing these extracts by ultrahigh-performance liquid chromatography orbitrap mass spectrometry (UHPLC-Orbitrap). The results are in good agreement. Thus, the proposed method proves to be quantitatively accurate with indisputable identification specificity. As an independent method, the approach of direct scanning of peel is of high interest and of potential future within food analysis to guarantee safety, quality, and authenticity.

  9. Rapid analysis of multiclass antibiotic residues and some of their metabolites in hospital, urban wastewater and river water by ultra-high-performance liquid chromatography coupled to quadrupole-linear ion trap tandem mass spectrometry.

    PubMed

    Gros, Meritxell; Rodríguez-Mozaz, Sara; Barceló, Damià

    2013-05-31

    The present work describes the development of a fast and robust analytical method for the determination of 53 antibiotic residues, covering various chemical groups and some of their metabolites, in environmental matrices that are considered important sources of antibiotic pollution, namely hospital and urban wastewaters, as well as in river waters. The method is based on automated off-line solid phase extraction (SPE) followed by ultra-high-performance liquid chromatography coupled to quadrupole linear ion trap tandem mass spectrometry (UHPLC-QqLIT). For unequivocal identification and confirmation, and in order to fulfill EU guidelines, two selected reaction monitoring (SRM) transitions per compound are monitored (the most intense one is used for quantification and the second one for confirmation). Quantification of target antibiotics is performed by the internal standard approach, using one isotopically labeled compound for each chemical group, in order to correct matrix effects. The main advantages of the method are automation and speed-up of sample preparation, by the reduction of extraction volumes for all matrices, the fast separation of a wide spectrum of antibiotics by using ultra-high-performance liquid chromatography, its sensitivity (limits of detection in the low ng/L range) and selectivity (due to the use of tandem mass spectrometry) The inclusion of β-lactam antibiotics (penicillins and cephalosporins), which are compounds difficult to analyze in multi-residue methods due to their instability in water matrices, and some antibiotics metabolites are other important benefits of the method developed. As part of the validation procedure, the method developed was applied to the analysis of antibiotics residues in hospital, urban influent and effluent wastewaters as well as in river water samples.

  10. Comparison of two ionic liquid dispersive liquid-liquid microextraction approaches for the determination of benzoylurea insecticides in wastewater using liquid chromatography-quadrupole-linear ion trap-mass spectrometry: evaluation of green parameters.

    PubMed

    Vázquez, M M Parrilla; Vázquez, P Parrilla; Galera, M Martínez; Moreno, A Uclés

    2014-08-22

    Two dispersive liquid-liquid microextraction (DLLME) approaches including temperature-controlled ionic liquid dispersive liquid-liquid microextraction (TCIL-DLLME) and ultrasound-assisted ionic liquid dispersive liquid-liquid microextraction (US-IL-DLLME) were compared for the extraction of six benzoylurea insecticides (diflubenzuron, triflumuron, hexaflumuron, teflubenzuron, lufenuron and flufenoxuron) from wastewater samples prior to their determination by high-performance liquid chromatography with a hybrid triple quadrupole-linear ion trap-mass spectrometer (LC-QqLIT-MS/MS). Influential parameters affecting extraction efficiency were systematically studied and optimized and the most significant green parameters were quantified and compared. The best results were obtained using the US-IL-DLLME procedure, which employed the IL 1-octyl-3-methylimidazolium hexafluorophosphate ([C8MIM][PF6]) and methanol (MeOH) as extraction and disperser solvent, respectively. US-IL-DLLME procedure was fast, easy, low environmental toxicity and, it was also able to successfully extract all selected benzoylureas. This method was extensively validated with satisfactory results: limits of detection and quantification were in the range 0.5-1.0 ng L(-1) and 1.5-3.5 ng L(-1), respectively, whereas recovery rates ranged from 89 to 103% and the relative standard deviations were lower than 13.4%. The applicability of the method was assessed with the analysis of effluent wastewater samples from a wastewater treatment plant located in an agricultural zone of Almería (Spain) and the results indicated the presence of teflubenzuron at mean concentration levels of 11.3 ng L(-1). US-IL-DLLME sample treatment in combination with LC-QqLIT-MS/MS has demonstrated to be a sensitive, selective and efficient method to determine benzoylurea insecticides in wastewaters at ultra-trace levels.

  11. Fabrication of three-dimensionally interconnected nanoparticle superlattices and their lithium-ion storage properties

    PubMed Central

    Jiao, Yucong; Han, Dandan; Ding, Yi; Zhang, Xianfeng; Guo, Guannan; Hu, Jianhua; Yang, Dong; Dong, Angang

    2015-01-01

    Three-dimensional superlattices consisting of nanoparticles represent a new class of condensed materials with collective properties arising from coupling interactions between close-packed nanoparticles. Despite recent advances in self-assembly of nanoparticle superlattices, the constituent materials have been limited to those that are attainable as monodisperse nanoparticles. In addition, self-assembled nanoparticle superlattices are generally weakly coupled due to the surface-coating ligands. Here we report the fabrication of three-dimensionally interconnected nanoparticle superlattices with face-centered cubic symmetry without the presynthesis of the constituent nanoparticles. We show that mesoporous carbon frameworks derived from self-assembled supercrystals can be used as a robust matrix for the growth of nanoparticle superlattices with diverse compositions. The resulting interconnected nanoparticle superlattices embedded in a carbon matrix are particularly suitable for energy storage applications. We demonstrate this by incorporating tin oxide nanoparticle superlattices as anode materials for lithium-ion batteries, and the resulting electrochemical performance is attributable to their unique architectures. PMID:25739732

  12. Monodisperse Colloidal Gallium Nanoparticles: Synthesis, Low Temperature Crystallization, Surface Plasmon Resonance and Li-Ion Storage

    PubMed Central

    2015-01-01

    We report a facile colloidal synthesis of gallium (Ga) nanoparticles with the mean size tunable in the range of 12–46 nm and with excellent size distribution as small as 7–8%. When stored under ambient conditions, Ga nanoparticles remain stable for months due to the formation of native and passivating Ga-oxide layer (2–3 nm). The mechanism of Ga nanoparticles formation is elucidated using nuclear magnetic resonance spectroscopy and with molecular dynamics simulations. Size-dependent crystallization and melting of Ga nanoparticles in the temperature range of 98–298 K are studied with X-ray powder diffraction, specific heat measurements, transmission electron microscopy, and X-ray absorption spectroscopy. The results point to delta (δ)-Ga polymorph as a single low-temperature phase, while phase transition is characterized by the large hysteresis and by the large undercooling of crystallization and melting points down to 140–145 and 240–250 K, respectively. We have observed size-tunable plasmon resonance in the ultraviolet and visible spectral regions. We also report stable operation of Ga nanoparticles as anode material for Li-ion batteries with storage capacities of 600 mAh g–1, 50% higher than those achieved for bulk Ga under identical testing conditions. PMID:25133552

  13. DISSOCIATIVE RECOMBINATION MEASUREMENTS OF HCl{sup +} USING AN ION STORAGE RING

    SciTech Connect

    Novotný, O.; Stützel, J.; Savin, D. W.; Becker, A.; Buhr, H.; Domesle, C.; Grieser, M.; Krantz, C.; Kreckel, H.; Repnow, R.; Schwalm, D.; Yang, B.; Wolf, A.; Geppert, W.; Spruck, K.

    2013-11-01

    We have measured dissociative recombination (DR) of HCl{sup +} with electrons using a merged beams configuration at the TSR heavy-ion storage ring located at the Max Planck Institute for Nuclear Physics in Heidelberg, Germany. We present the measured absolute merged beams recombination rate coefficient for collision energies from 0 to 4.5 eV. We have also developed a new method for deriving the cross section from the measurements. Our approach does not suffer from approximations made by previously used methods. The cross section was transformed to a plasma rate coefficient for the electron temperature range from T = 10 to 5000 K. We show that the previously used HCl{sup +} DR data underestimate the plasma rate coefficient by a factor of 1.5 at T = 10 K and overestimate it by a factor of three at T = 300 K. We also find that the new data may partly explain existing discrepancies between observed abundances of chlorine-bearing molecules and their astrochemical models.

  14. CsI-Silicon Particle detector for Heavy ions Orbiting in Storage rings (CsISiPHOS)

    NASA Astrophysics Data System (ADS)

    Najafi, M. A.; Dillmann, I.; Bosch, F.; Faestermann, T.; Gao, B.; Gernhäuser, R.; Kozhuharov, C.; Litvinov, S. A.; Litvinov, Yu. A.; Maier, L.; Nolden, F.; Popp, U.; Sanjari, M. S.; Spillmann, U.; Steck, M.; Stöhlker, T.; Weick, H.

    2016-11-01

    A heavy-ion detector was developed for decay studies in the Experimental Storage Ring (ESR) at the GSI Helmholtz Centre for Heavy Ion Research in Darmstadt, Germany. This detector serves as a prototype for the in-pocket particle detectors for future experiments with the Collector Ring (CR) at FAIR (Facility for Antiproton and Ion Research). The detector includes a stack of six silicon pad sensors, a double-sided silicon strip detector (DSSD), and a CsI(Tl) scintillation detector. It was used successfully in a recent experiment for the detection of the β+-decay of highly charged 142Pm60+ ions. Based on the ΔE / E technique for particle identification and an energy resolution of 0.9% for ΔE and 0.5% for E (Full Width at Half Maximum (FWHM)), the detector is well-suited to distinguish neighbouring isobars in the region of interest.

  15. Apparatus, Method and Program Storage Device for Determining High-Energy Neutron/Ion Transport to a Target of Interest

    NASA Technical Reports Server (NTRS)

    Wilson, John W. (Inventor); Tripathi, Ram K. (Inventor); Badavi, Francis F. (Inventor); Cucinotta, Francis A. (Inventor)

    2012-01-01

    An apparatus, method and program storage device for determining high-energy neutron/ion transport to a target of interest. Boundaries are defined for calculation of a high-energy neutron/ion transport to a target of interest; the high-energy neutron/ion transport to the target of interest is calculated using numerical procedures selected to reduce local truncation error by including higher order terms and to allow absolute control of propagated error by ensuring truncation error is third order in step size, and using scaling procedures for flux coupling terms modified to improve computed results by adding a scaling factor to terms describing production of j-particles from collisions of k-particles; and the calculated high-energy neutron/ion transport is provided to modeling modules to control an effective radiation dose at the target of interest.

  16. Iso-Oriented Anatase TiO2 Mesocages as a High Performance Anode Material for Sodium-Ion Storage

    PubMed Central

    Hong, Zhensheng; Zhou, Kaiqiang; Huang, Zhigao; Wei, Mingdeng

    2015-01-01

    A major obstacle in realizing Na-ion batteries (NIBs) is the absence of suitable anode materials. Herein, we firstly report the anatase TiO2 mesocages constructed by crystallographically oriented nanoparticle subunits as a high performance anode for NIBs. The mesocages with tunable microstructures, high surface area (204 m2 g−1) and uniform mesoporous structure were firstly prepared by a general synthesis method under the assist of sodium dodecyl sulfate (SDS). It’s notable that the TiO2 mesocages exhibit a large reversible capacity and good rate capability. A stable capacity of 93 mAhg−1 can be retained after 500 cycles at 10 C in the range of 0.01–2.5 V, indicating high rate performance and good cycling stability. This could be due to the uniform architecture of iso-oriented mesocage structure with few grain boundaries and nanoporous nature, allowing fast electron and ion transport, and providing more active sites as well as freedom for volume change during Na-ion insertion. CV measurements demonstrate that the sodium-ion storage process of anatase mesocages is mainly controlled by pseudocapacitive behavior, which is different from the lithium-ion storage and further facilitates the high rate capability. PMID:26145511

  17. Mini-proceedings of the workshop on heavy ion physics and instrumentation for a 15-Tm booster and storage ring

    SciTech Connect

    Not Available

    1986-11-01

    The goal of this workshop was to probe in depth a few of the areas of possible physics made possible by the availability of an intermediate energy heavy-ion physics facility. There was a special emphasis on physics that would be possible only with a storage/cooler ring. Topics discussed were nuclei far from stability, quantum electrodynamics, giant resonances and photonuclear reactions, and high energy gamma-ray production. Individual papers in this meeting were abstracted separately.

  18. Electrochemically active, crystalline, mesoporous covalent organic frameworks on carbon nanotubes for synergistic lithium-ion battery energy storage

    PubMed Central

    Xu, Fei; Jin, Shangbin; Zhong, Hui; Wu, Dingcai; Yang, Xiaoqing; Chen, Xiong; Wei, Hao; Fu, Ruowen; Jiang, Donglin

    2015-01-01

    Organic batteries free of toxic metal species could lead to a new generation of consumer energy storage devices that are safe and environmentally benign. However, the conventional organic electrodes remain problematic because of their structural instability, slow ion-diffusion dynamics, and poor electrical conductivity. Here, we report on the development of a redox-active, crystalline, mesoporous covalent organic framework (COF) on carbon nanotubes for use as electrodes; the electrode stability is enhanced by the covalent network, the ion transport is facilitated by the open meso-channels, and the electron conductivity is boosted by the carbon nanotube wires. These effects work synergistically for the storage of energy and provide lithium-ion batteries with high efficiency, robust cycle stability, and high rate capability. Our results suggest that redox-active COFs on conducting carbons could serve as a unique platform for energy storage and may facilitate the design of new organic electrodes for high-performance and environmentally benign battery devices. PMID:25650133

  19. Conceptual design of a quadrupole magnet for eRHIC

    SciTech Connect

    Witte, H.; Berg, J. S.

    2015-05-03

    eRHIC is a proposed upgrade to the existing Relativistic Heavy Ion Collider (RHIC) hadron facility at Brookhaven National Laboratory, which would allow collisions of up to 21 GeV polarized electrons with a variety of species from the existing RHIC accelerator. eRHIC employs an Energy Recovery Linac (ERL) and an FFAG lattice for the arcs. The arcs require open-midplane quadrupole magnets of up to 30 T/m gradient of good field quality. In this paper we explore initial quadrupole magnet design concepts based on permanent magnetic material which allow to modify the gradient during operation.

  20. Carbon Nanohorns Carried Iron Fluoride Nanocomposite with ultrahigh rate lithium ion storage properties

    PubMed Central

    Fan, Lishuang; Li, Bingjiang; Zhang, Naiqing; Sun, Kening

    2015-01-01

    Novel hierarchical carbon nanohorns (CNHs) carried iron fluoride nanocomposites have been constructed by direct growth of FeF3·0.33H2O nanoparticles on CNHs. In the FeF3·0.33H2O@CNHs nanocomposite, the mesopore CNHs play the role as conductive matrix and robust carrier to support the FeF3·0.33H2O nanoparticles. The intimate conductive contact between the two components can build up an express way of electron transfer for rapid Li+ insertion/extraction. The CNHs can not only suppress the growth and agglomeration of FeF3·0.33H2O during the crystallization process, but also sever as an “elastic confinement” to support FeF3·0.33H2O. As was to be expected, the hierarchical FeF3·0.33H2O@CNHs nanocomposite exhibits impressive rate capability and excellent cycle performance. Markedly, the nanocomposite proves stable, ultrahigh rate lithium ion storage properties of 81 mAh g−1 at charge/discharge rate of 50 C (a discharge/charge process only takes 72 s). The integration of high electron conductivity, confined nano sized FeF3·0.33H2O (~5 nm), hierarchical mesopores CNHs and the “elastic confinement” support, the FeF3·0.33H2O@CNHs nanocomposite demonstrates excellent ultrahigh rate capability and good cycling properties. PMID:26173994

  1. First-principles studies of complex hydrides for lithium-ion battery and hydrogen storage applications

    NASA Astrophysics Data System (ADS)

    Mason, Timothy Hudson

    We employ density functional theory in a computational study of two energy storage systems. In the first, we explore the thermodynamic viability of light metal hydrides as a high capacity Li-ion battery negative electrode. Given a set of solid-state and gas-phase reactants, we have determined the phase diagram in the Li-Mg-B-N-H system in the grand canonical ensemble as a function of lithium electrochemical potential. We present computational results for several new conversion reactions with predicted capacities between 2400 and 4000 mAhg-1 that are thermodynamically favorable and that do not involve gas evolution. We provide experimental evidence for the reaction pathway on delithiation for the compound Li4BN3H10 and compare with our theoretical prediction. The maximum volume increase for these materials on lithium insertion is significantly smaller than that for Si, whose 400% expansion hinders its cyclability. In the second study, we attempt to gain understanding of recent experimental results of lithium borohydride nanoconfined in highly ordered nanoporous carbon. The carbon environment is modeled as a single sheet of graphene, and adsorption energies are calculated for nanoparticles of the constituent phases of LiBH 4 desorption processes (LiBH4, LiH, lithium and boron). We find good agreement with previous studies of a single lithium atom adsorbed onto graphene. We predict that infiltrated LiBH4 will decompose such that boron is trapped in carbon vacancies, and that the resulting boron doping is required to achieve negative wetting energies for the remaining LiBH4. Desorption enthalpies are found to increase with shrinking cluster sizes, suggesting that the observed lowering of desorption temperatures is a kinetic effect although interactions with the carbon surface itself are predicted to have an overall effect of decreasing the desorption enthalpy .

  2. Two-dimensional mesoporous carbon nanosheets and their derived graphene nanosheets: synthesis and efficient lithium ion storage.

    PubMed

    Fang, Yin; Lv, Yingying; Che, Renchao; Wu, Haoyu; Zhang, Xuehua; Gu, Dong; Zheng, Gengfeng; Zhao, Dongyuan

    2013-01-30

    We report a new solution deposition method to synthesize an unprecedented type of two-dimensional ordered mesoporous carbon nanosheets via a controlled low-concentration monomicelle close-packing assembly approach. These obtained carbon nanosheets possess only one layer of ordered mesopores on the surface of a substrate, typically the inner walls of anodic aluminum oxide pore channels, and can be further converted into mesoporous graphene nanosheets by carbonization. The atomically flat graphene layers with mesopores provide high surface area for lithium ion adsorption and intercalation, while the ordered mesopores perpendicular to the graphene layer enable efficient ion transport as well as volume expansion flexibility, thus representing a unique orthogonal architecture for excellent lithium ion storage capacity and cycling performance. Lithium ion battery anodes made of the mesoporous graphene nanosheets have exhibited an excellent reversible capacity of 1040 mAh/g at 100 mA/g, and they can retain at 833 mAh/g even after numerous cycles at varied current densities. Even at a large current density of 5 A/g, the reversible capacity is retained around 255 mAh/g, larger than for most other porous carbon-based anodes previously reported, suggesting a remarkably promising candidate for energy storage.

  3. Heavy ion radiation can promote greater motility and enolase protein expression in ram sperm in in vitro liquid storage.

    PubMed

    He, Yuxuan; Li, Hongyan; He, Jianhua; Zhao, Xingxu

    2014-08-01

    The aim of the study was to determine the effects of heavy ion radiation (HIR) on ram sperm quality during 24h of in vitro liquid storage at 15°C, and identify the most appropriate dose which did not injure, but actually improved sperm quality and confirmed the relationship between highly expressed enolase and ram sperm quality during storage in vitro. Six Dorset ram (Ovis aries) semen pools from five mature and healthy rams were each divided into seven experimental groups with different doses of HIR (0, 0.05, 0.1, 0.2, 0.3, 0.4, and 0.5Gy) under the same experimental conditions. Sperm motility, viability, ATP content, and the gene and protein expression of enolase were measured at 24h of storage. Irradiated semen which had been stored for 24h, retained not only greater sperm motility, viability, and ATP content, but had greater enolase protein expression. This was evidenced by increased amounts of mRNA for this enzyme and amount of enolase protein as compared with semen from control rams, especially for the 0.1Gy group (P<0.001). These results indicate that HIR can promote enhanced motility and viability during in vitro liquid storage, and the 0.1Gy may be a suitable dose for improving sperm quality. Greater amounts of enolase and ATP content may results from enhanced sperm glycolysis by HIR. HIR enhances sperm glycolysis to generate sufficient ATP for maintaining sperm motility during storage.

  4. Analysis of polar organic contaminants in surface water of the northern Adriatic Sea by solid-phase extraction followed by ultrahigh-pressure liquid chromatography-QTRAP® MS using a hybrid triple-quadrupole linear ion trap instrument.

    PubMed

    Loos, Robert; Tavazzi, Simona; Paracchini, Bruno; Canuti, Elisabetta; Weissteiner, Christof

    2013-07-01

    Water-soluble polar organic contaminants are discharged by rivers, cities, and ships into the oceans. Little is known on the fate, pollution effects, and thresholds of toxic chemical mixtures in the marine environment. A new trace analytical method was developed for the multi-compound analysis of polar organic chemical contaminants in marine waters. The method is based on automated solid-phase extraction (SPE) of one-liter water samples followed by ultrahigh-pressure liquid chromatography triple-quadrupole linear ion-trap mass spectrometry (UHPLC-QTRAP(®) MS). Marine water samples from the open Adriatic Sea taken 16 km offshore from Venice (Italy) were analyzed. Method limits of quantification (LOQs) in the low picogram per liter (pg/l) concentration range were achieved. Among the 67 target chemicals analyzed, 45 substances could be detected above the LOQ. The chemicals detected at the highest concentrations were caffeine (up to 367 ng/l), nitrophenol (36 ng/l), 2,4-dinitrophenol (34 ng/l), 5-methyl-1H-benzotriazole (18.5 ng/l), sucralose (11 ng/l), 1H-benzotriazole (9.2 ng/l), terbuthylazine (9 ng/l), alachlor (7.7 ng/l), atrazine-desisopropyl (6.6 ng/l), diethyltoluamide (DEET) (5.0 ng/l), terbuthylazine-desethyl (4.3 ng/l), metolachlor (2.8 ng/l), perfluorooctanoic acid (PFOA) (2.5 ng/l), perfluoropentanoic acid (PFPeA) (2.3 ng/l), linuron (2.3 ng/l), perfluorohexanoic acid (PFHxA) (2.2 ng/l), diuron (2.0 ng/l), perfluorohexane sulfonate (PFHxS) (1.6 ng/l), simazine (1.6 ng/l), atrazine (1.5 ng/l), and perfluorooctane sulfonate (PFOS) (1.3 ng/l). Higher concentrations were detected during summer due to increased levels of tourist activity during this period.

  5. Framework structured Na4Mn4Ti5O18 as an electrode for Na-ion storage hybrid devices.

    PubMed

    Jayakumar, M; Hemalatha, K; Ramesha, K; Prakash, A S

    2015-08-28

    In this study, framework structured Na4Mn4Ti5O18 possessing S-shaped tunnels for sodium intercalation is reported as an electrode for hybrid sodium ion batteries. Galvanostatic cycling of Na4Mn4Ti5O18vs. Na in the voltage region from 1.5 V to 3.95 V exhibits a capacity of 102 mA h g(-1) at 0.1C rate corresponding to a specific capacitance of 149 F g(-1) with a capacity retention of 90% over 50 cycles. The electrochemical analysis using CV measurements revealed the charge storage involving intercalation and pseudocapacitance. For instance, total charge storage of 345 C g(-1) is observed at 0.01 mV s(-1), which is attributed to 63% intercalation and 37% capacitance. Na4Mn4Ti5O18 was also studied for sodium ion storage in an aqueous medium. It delivered a capacity of 36 mA h g(-1) (144 F g(-1)) in the voltage window of 0-0.8 V.

  6. Lithium rich cathode/graphite anode combination for lithium ion cells with high tolerance to near zero volt storage

    NASA Astrophysics Data System (ADS)

    Crompton, K. R.; Staub, J. W.; Hladky, M. P.; Landi, B. J.

    2017-03-01

    Management of reversible lithium is an advantageous approach to design lithium ion cells that are tolerant to near zero volt (NZV) storage under fixed resistive load towards highly controllable, enhanced user-inactive safety. Presently, the first cycle loss from a high energy density Li-rich HE5050 cathode is used to provide excess reversible lithium when paired with an appropriately capacity matched mesocarbon microbead (MCMB) anode. Cells utilizing 1.2 M LiPF6 3:7 v/v ethylene carbonate:ethyl methyl carbonate electrolyte and a lithium reference were used for 3-electrode testing. After conditioning, a fixed resistive load was applied to 3-electrode cells for 72 or 168-h during which the anode potential and electrode asymptotic potential (EAP) remained less than the copper dissolution potential. After multiple storage cycles (room temperature or 40 °C), the NZV coulombic efficiency (cell reversibility) exceeded 97% and the discharge capacity retention was >98%. Conventional 2-electrode HE5050/MCMB pouch cells stored at NZV or open circuit for 3 days had nearly identical rate capability (up to 5C) and discharge performance stability (for 500 cycles under a 30% depth of discharge low-earth-orbit regime). Thus, lithium ion cells with appropriately capacity matched HE5050/MCMB electrodes have excellent tolerance to prolonged NZV storage, which can lead to enhanced user-inactive safety.

  7. Hybrid high gradient permanent magnet quadrupole

    NASA Astrophysics Data System (ADS)

    N'gotta, P.; Le Bec, G.; Chavanne, J.

    2016-12-01

    This paper presents an innovative compact permanent magnet quadrupole with a strong gradient for potential use in future light source lattices. Its magnetic structure includes simple mechanical parts, rectangular permanent magnet blocks and soft iron poles. It has a wide aperture in the horizontal plane to accommodate an x-ray beam port, a common constraint in storage ring-based light sources. This specificity introduces field quality deterioration because of the resulting truncation of the poles; a suitable field quality can be restored with an optimized pole shape. A 82 T /m prototype with a bore radius of 12 mm and a 10 mm vertical gap between poles has been constructed and magnetically characterized. Gradient inhomogeneities better than 10-3 in the good field region were obtained after the installation of special shims.

  8. New perspectives in laser analytics: Resonance-enhanced multiphoton ionization in a Paul ion trap combined with a time-of-flight mass spectrometer

    NASA Astrophysics Data System (ADS)

    Bisling, Peter; Heger, Hans Jörg; Michaelis, Walfried; Weitkamp, Claus; Zobel, Harald

    1995-04-01

    A new laser analytical device has been developed that is based on resonance-enhanced multiphoton ionization in the very center of a radio-frequency quadrupole ion trap. Applications in speciation anlaysis of biological and enviromental samples and in materials science will all benefit from laser-optical selectivity in the resonance excitation process, combined with mass-spectropic sensivity which is further enhanced by the ion accumulation and storage capability.

  9. Study on capacity fading of 18650 type LiCoO2-based lithium ion batteries during storage

    NASA Astrophysics Data System (ADS)

    Zheng, Liu-Qun; Li, Shu-Jun; Zhang, Deng-Feng; Lin, Hai-Jun; Miao, Yan-Yue; Chen, Shou-Wei; Liu, Hai-Bin

    2015-05-01

    The capacity fading of LiCoO2-based lithium ion batteries during storage was studied. The discharging capacity fading is attributed to the decreasing in the charging capacity at the constant current stage. After 300 cycles, the ratio of the charging capacity of batteries at the constant current stage to the total charging capacity decreases from 87.2 to 71.2%. The bounce-back voltage is closely related to the internal resistance when the battery is discharged to the cut-off voltage of 3.0 V. Batteries were disassembled in the fully discharged state, and then a assembled again in order to deeply understand the causes of the capacity fading of the cathode and anode. The results shows that the SEI film thickness increasing, breaking or repairing process at the anode could be responsible for the high bounce-back voltage, the increase of the internal resistance and the capacity fading during storage.

  10. Role of surface structure on Li-ion energy storage capacity of two-dimensional transition-metal carbides.

    PubMed

    Xie, Yu; Naguib, Michael; Mochalin, Vadym N; Barsoum, Michel W; Gogotsi, Yury; Yu, Xiqian; Nam, Kyung-Wan; Yang, Xiao-Qing; Kolesnikov, Alexander I; Kent, Paul R C

    2014-04-30

    A combination of density functional theory (DFT) calculations and experiments is used to shed light on the relation between surface structure and Li-ion storage capacities of the following functionalized two-dimensional (2D) transition-metal carbides or MXenes: Sc2C, Ti2C, Ti3C2, V2C, Cr2C, and Nb2C. The Li-ion storage capacities are found to strongly depend on the nature of the surface functional groups, with O groups exhibiting the highest theoretical Li-ion storage capacities. MXene surfaces can be initially covered with OH groups, removable by high-temperature treatment or by reactions in the first lithiation cycle. This was verified by annealing f-Nb2C and f-Ti3C2 at 673 and 773 K in vacuum for 40 h and in situ X-ray adsorption spectroscopy (XAS) and Li capacity measurements for the first lithiation/delithiation cycle of f-Ti3C2. The high-temperature removal of water and OH was confirmed using X-ray diffraction and inelastic neutron scattering. The voltage profile and X-ray adsorption near edge structure of f-Ti3C2 revealed surface reactions in the first lithiation cycle. Moreover, lithiated oxygen terminated MXenes surfaces are able to adsorb additional Li beyond a monolayer, providing a mechanism to substantially increase capacity, as observed mainly in delaminated MXenes and confirmed by DFT calculations and XAS. The calculated Li diffusion barriers are low, indicative of the measured high-rate performance. We predict the not yet synthesized Cr2C to possess high Li capacity due to the low activation energy of water formation at high temperature, while the not yet synthesized Sc2C is predicted to potentially display low Li capacity due to higher reaction barriers for OH removal.

  11. Three-dimensional ordering of cold ion beams in a storage ring: A molecular-dynamics simulation study

    SciTech Connect

    Yuri, Yosuke

    2015-06-29

    Three-dimensional (3D) ordering of a charged-particle beams circulating in a storage ring is systematically studied with a molecular-dynamics simulation code. An ion beam can exhibit a 3D ordered configuration at ultralow temperature as a result of powerful 3D laser cooling. Various unique characteristics of the ordered beams, different from those of crystalline beams, are revealed in detail, such as the single-particle motion in the transverse and longitudinal directions, and the dependence of the tune depression and the Coulomb coupling constant on the operating points.

  12. Surface modifications of hydrogen storage alloy by heavy ion beams with keV to MeV irradiation energies

    NASA Astrophysics Data System (ADS)

    Abe, Hiroshi; Tokuhira, Shinnosuke; Uchida, Hirohisa; Ohshima, Takeshi

    2015-12-01

    This study deals with the effect of surface modifications induced from keV to MeV heavy ion beams on the initial reaction rate of a hydrogen storage alloy (AB5) in electrochemical process. The rare earth based alloys like this sample alloy are widely used as a negative electrode of Ni-MH (Nickel-Metal Hydride) battery. We aimed to improve the initial reaction rate of hydrogen absorption by effective induction of defects such as vacancies, dislocations, micro-cracks or by addition of atoms into the surface region of the metal alloys. Since defective layer near the surface can easily be oxidized, the conductive oxide layer is formed on the sample surface by O+ beams irradiation, and the conductive oxide layer might cause the improvement of initial reaction rate of hydriding. This paper demonstrates an effective surface treatment of heavy ion irradiation, which induces catalytic activities of rare earth oxides in the alloy surface.

  13. Hierarchical porous nitrogen doped carbon derived from horn comb as anode for sodium-ion storage with high performance

    NASA Astrophysics Data System (ADS)

    Ou, Junke; Yang, Lin; Xi, Xianghui

    2017-01-01

    Horn comb, an abundant biomass waste, has been successfully converted into a hierarchical porous nitrogen doped carbon (HPNDC) via a simple and costeffective approach. Tested as anode for sodium ion batteries (SIBs), horn comb derived carbon shows good rate capability and cycling stability, delivering a high initial charge capacity of 400 mAh g-1 at 100 mA g-1, retaining a reversible capacity of 112 mAh g-1 at 5 A g-1, and exhibiting a capacity of 241 mAh g-1 at 100 mA g-1 after 100 cycles. These superior electrochemical performances can be ascribed to its unique hierarchical pore structure combined with appropriate nitrogen doping effects. We believe that our works will be helpful in promoting the development of high-rate and low-cost sodium ion batteries for large-scale energy storage systems. [Figure not available: see fulltext.

  14. Nuclear Quadrupole Moments and Nuclear Shell Structure

    DOE R&D Accomplishments Database

    Townes, C. H.; Foley, H. M.; Low, W.

    1950-06-23

    Describes a simple model, based on nuclear shell considerations, which leads to the proper behavior of known nuclear quadrupole moments, although predictions of the magnitudes of some quadrupole moments are seriously in error.

  15. Report on Lithium Ion Battery Trade Studies to Support the Exploration Technology Development Program (ETDP) Energy Storage Project

    NASA Technical Reports Server (NTRS)

    Green, Robert D.; Kissock, Barbara I.; Bennett, William R.

    2010-01-01

    This report documents the results of two system related analyses to support the Exploration Technology Development Program (ETDP) Energy Storage Project. The first study documents a trade study to determine the optimum Li-ion battery cell capacity for the ascent stage battery for the Altair lunar lander being developed under the Constellation Systems program. The battery cell capacity for the Ultra High Energy (UHE) Li-ion battery initially chosen as the target for development was 35 A-hr; this study concludes that a 19.4 A-hr cell capacity would be more optimum from a minimum battery mass perspective. The second study in this report is an assessment of available low temperature Li-ion battery cell performance data to determine whether lowering the operating temperature range of the Li-ion battery, in a rover application, could save overall system mass by eliminating thermal control system mass normally needed to maintain battery temperature within a tighter temperature limit than electronics or other less temperature sensitive components. The preliminary assessment for this second study indicates that the reduction in the thermal control system mass is negated by an increase in battery mass to compensate for the loss in battery capacity due to lower temperature operating conditions.

  16. Storage and Effective Migration of Li-Ion for Defected β-LiFePO4 Phase Nanocrystals.

    PubMed

    Guo, Hua; Song, Xiaohe; Zhuo, Zengqing; Hu, Jiangtao; Liu, Tongchao; Duan, Yandong; Zheng, Jiaxin; Chen, Zonghai; Yang, Wanli; Amine, Khalil; Pan, Feng

    2016-01-13

    Lithium iron phosphate, a widely used cathode material, crystallizes typically in olivine-type phase, α-LiFePO4 (αLFP). However, the new phase β-LiFePO4 (βLFP), which can be transformed from αLFP under high temperature and pressure, is originally almost electrochemically inactive with no capacity for Li-ion battery, because the Li-ions are stored in the tetrahedral [LiO4] with very high activation barrier for migration and the one-dimensional (1D) migration channels for Li-ion diffusion in αLFP disappear, while the Fe ions in the β-phase are oriented similar to the 1D arrangement instead. In this work, using experimental studies combined with density functional theory calculations, we demonstrate that βLFP can be activated with creation of effective paths of Li-ion migration by optimized disordering. Thus, the new phase of βLFP cathode achieved a capacity of 128 mAh g(-1) at a rate of 0.1 C (1C = 170 mA g(-1)) with extraordinary cycling performance that 94.5% of the initial capacity retains after 1000 cycles at 1 C. The activation mechanism can be attributed to that the induced disorder (such as FeLiLiFe antisite defects, crystal distortion, and amorphous domains) creates new lithium migration passages, which free the captive stored lithium atoms and facilitate their intercalation/deintercalation from the cathode. Such materials activated by disorder are promising candidate cathodes for lithium batteries, and the related mechanism of storage and effective migration of Li-ions also provides new clues for future design of disordered-electrode materials with high capacity and high energy density.

  17. Quadrupole magnets for the SSC

    SciTech Connect

    Lietzke, A.; Barale, P.; Benjegerdes, R.; Caspi, S.; Cortella, J.; Dell'Orco, D.; Gilbert, W.; Green, M.I.; Mirk, K.; Peters, C.; Scanlan, R.; Taylor, C.E.; Wandesforde, A.

    1992-08-01

    At LBL, we have designed, constructed, and tested ten models (4-1meter, 6-5meter) of the Superconducting Super Collider (SSC) main-ring 5 meter focusing quadrupole magnet (211Tesla/meter). The results of this program are herein summarized.

  18. A hybrid electrochemical device based on a synergetic inner combination of Li ion battery and Li ion capacitor for energy storage

    NASA Astrophysics Data System (ADS)

    Zheng, Jun-Sheng; Zhang, Lei; Shellikeri, Annadanesh; Cao, Wanjun; Wu, Qiang; Zheng, Jim P.

    2017-02-01

    Li ion battery (LIB) and electrochemical capacitor (EC) are considered as the most widely used energy storage systems (ESSs) because they can produce a high energy density or a high power density, but it is a huge challenge to achieve both the demands of a high energy density as well as a high power density on their own. A new hybrid Li ion capacitor (HyLIC), which combines the advantages of LIB and Li ion capacitor (LIC), is proposed. This device can successfully realize a potential match between LIB and LIC and can avoid the excessive depletion of electrolyte during the charge process. The galvanostatic charge-discharge cycling tests reveal that at low current, the HyLIC exhibits a high energy density, while at high current, it demonstrates a high power density. Ragone plot confirms that this device can make a synergetic balance between energy and power and achieve a highest energy density in the power density range of 80 to 300 W kg‑1. The cycle life test proves that HyLIC exhibits a good cycle life and an excellent coulombic efficiency. The present study shows that HyLIC, which is capable of achieving a high energy density, a long cycle life and an excellent power density, has the potential to achieve the winning combination of a high energy and power density.

  19. A hybrid electrochemical device based on a synergetic inner combination of Li ion battery and Li ion capacitor for energy storage.

    PubMed

    Zheng, Jun-Sheng; Zhang, Lei; Shellikeri, Annadanesh; Cao, Wanjun; Wu, Qiang; Zheng, Jim P

    2017-02-07

    Li ion battery (LIB) and electrochemical capacitor (EC) are considered as the most widely used energy storage systems (ESSs) because they can produce a high energy density or a high power density, but it is a huge challenge to achieve both the demands of a high energy density as well as a high power density on their own. A new hybrid Li ion capacitor (HyLIC), which combines the advantages of LIB and Li ion capacitor (LIC), is proposed. This device can successfully realize a potential match between LIB and LIC and can avoid the excessive depletion of electrolyte during the charge process. The galvanostatic charge-discharge cycling tests reveal that at low current, the HyLIC exhibits a high energy density, while at high current, it demonstrates a high power density. Ragone plot confirms that this device can make a synergetic balance between energy and power and achieve a highest energy density in the power density range of 80 to 300 W kg(-1). The cycle life test proves that HyLIC exhibits a good cycle life and an excellent coulombic efficiency. The present study shows that HyLIC, which is capable of achieving a high energy density, a long cycle life and an excellent power density, has the potential to achieve the winning combination of a high energy and power density.

  20. A hybrid electrochemical device based on a synergetic inner combination of Li ion battery and Li ion capacitor for energy storage

    PubMed Central

    Zheng, Jun-Sheng; Zhang, Lei; Shellikeri, Annadanesh; Cao, Wanjun; Wu, Qiang; Zheng, Jim P.

    2017-01-01

    Li ion battery (LIB) and electrochemical capacitor (EC) are considered as the most widely used energy storage systems (ESSs) because they can produce a high energy density or a high power density, but it is a huge challenge to achieve both the demands of a high energy density as well as a high power density on their own. A new hybrid Li ion capacitor (HyLIC), which combines the advantages of LIB and Li ion capacitor (LIC), is proposed. This device can successfully realize a potential match between LIB and LIC and can avoid the excessive depletion of electrolyte during the charge process. The galvanostatic charge-discharge cycling tests reveal that at low current, the HyLIC exhibits a high energy density, while at high current, it demonstrates a high power density. Ragone plot confirms that this device can make a synergetic balance between energy and power and achieve a highest energy density in the power density range of 80 to 300 W kg−1. The cycle life test proves that HyLIC exhibits a good cycle life and an excellent coulombic efficiency. The present study shows that HyLIC, which is capable of achieving a high energy density, a long cycle life and an excellent power density, has the potential to achieve the winning combination of a high energy and power density. PMID:28169329

  1. Ion trajectory simulation for electrode configurations with arbitrary geometries.

    PubMed

    Wu, Guangxiang; Cooks, R Graham; Ouyang, Zheng; Yu, Meng; Chappell, William J; Plass, Wolfgang R

    2006-09-01

    A multi-particle ion trajectory simulation program ITSIM 6.0 is described, which is capable of ion trajectory simulations for electrode configurations with arbitrary geometries. The electrode structures are input from a 3D drawing program AutoCAD and the electric field is calculated using a 3D field solver COMSOL. The program CreatePot acts as interface between the field solver and ITSIM 6.0. It converts the calculated electric field into a field array file readable by ITSIM 6.0 and ion trajectories are calculated by solving Newton's equation using Runge-Kutta integration methods. The accuracy of the field calculation is discussed for the ideal quadrupole ion trap in terms of applied mesh density. Electric fields of several different types of devices with 3D geometry are simulated, including ion transport through an ion optical system as a function of pressure. Ion spatial distributions, including the storage of positively charged ions only and simultaneous storage of positively/negatively charged ions in commercial linear ion traps with various geometries, are investigated using different trapping modes. Inelastic collisions and collision induced dissociation modeled using RRKM theory are studied, with emphasis on the fragmentation of n-butylbenzene inside an ideal quadrupole ion trap. The mass spectrum of 1,3-dichlorobenzene is simulated for the rectilinear ion trap device and good agreement is observed between the simulated and the experimental mass spectra. Collisional cooling using helium at different pressures is found to affect mass resolution in the rectilinear ion trap.

  2. One Step Synthesis of Uniform SnO2 Electrode by UV Curing Technology toward Enhanced Lithium-Ion Storage.

    PubMed

    Wei, Hang; Xia, Zhonghong; Xia, Dingguo

    2017-03-01

    A uniform anode material composed of ultrasmall tin oxide (SnO2) nanoparticles with an excellent lithium-ion (Li-ion) storage performance is obtained for the first time through one step UV curing technology. The diameter of ∼3 nm-sized SnO2 particles is uniformly dispersed in the styrylpyridinium (SbQ) polymer because of its photo-cross-linking property. The in situ cross-linking of SbQ polymer not only assist synthesis of uniform ultrasmall SnO2, but act as a strong adhesion binder on SnO2 nanoparticles, thereby effectively accommodating the volume expansion of SnO2 anodes during cycling process. The uniform electrode exhibits substantially higher specific capacity and longer cycling stability compared with the SnO2 nanoparticles electrodes treated by traditional PVDF-mixing method. A stable specific capacity of 572.5 mA h g(-1) of the SnO2 electrode derived from UV curing technology is obtained at a current density of 0.2 C (156.2 mA g(-1)) after 150 cycles. Even at high rate of 5 C (3905 mA g(-1)), the electrode still demonstrates specific capacity of 440.2 mA h g(-1). Therefore, the scalable and low-cost synthetic approach described herein can readily be extended to other nanomaterials electrodes to improve their lithium-storage properties.

  3. Rational design of efficient electrode–electrolyte interfaces for solid-state energy storage using ion soft landing

    SciTech Connect

    Prabhakaran, Venkateshkumar; Mehdi, B. Layla; Ditto, Jeffrey J.; Engelhard, Mark H.; Wang, Bingbing; Gunaratne, K. Don D.; Johnson, David C.; Browning, Nigel D.; Johnson, Grant E.; Laskin, Julia

    2016-04-21

    Here, the rational design of improved electrode-electrolyte interfaces (EEI) for energy storage is critically dependent on a molecular-level understanding of ionic interactions and nanoscale phenomena. The presence of non-redox active species at EEI has been shown to strongly influence Faradaic efficiency and long-term operational stability during energy storage processes. Herein, we achieve substantially higher performance and long-term stability of EEI prepared with highly-dispersed discrete redox-active cluster anions (50 ng of pure ~0.7 nm size molybdenum polyoxometalate anions (POM) anions on 25 mg (≈ 0.2 wt%) carbon nanotube (CNT) electrodes) by complete elimination of strongly coordinating non-redox species through ion soft-landing (SL). For the first time, electron microscopy provides atomically-resolved images of individual POM species directly on complex technologically relevant CNT electrodes. In this context, SL is established as a versatile approach for the controlled design of novel surfaces for both fundamental and applied research in energy storage.

  4. Rational design of efficient electrode–electrolyte interfaces for solid-state energy storage using ion soft landing

    DOE PAGES

    Prabhakaran, Venkateshkumar; Mehdi, B. Layla; Ditto, Jeffrey J.; ...

    2016-04-21

    Here, the rational design of improved electrode-electrolyte interfaces (EEI) for energy storage is critically dependent on a molecular-level understanding of ionic interactions and nanoscale phenomena. The presence of non-redox active species at EEI has been shown to strongly influence Faradaic efficiency and long-term operational stability during energy storage processes. Herein, we achieve substantially higher performance and long-term stability of EEI prepared with highly-dispersed discrete redox-active cluster anions (50 ng of pure ~0.7 nm size molybdenum polyoxometalate anions (POM) anions on 25 mg (≈ 0.2 wt%) carbon nanotube (CNT) electrodes) by complete elimination of strongly coordinating non-redox species through ion soft-landingmore » (SL). For the first time, electron microscopy provides atomically-resolved images of individual POM species directly on complex technologically relevant CNT electrodes. In this context, SL is established as a versatile approach for the controlled design of novel surfaces for both fundamental and applied research in energy storage.« less

  5. Rational design of efficient electrode–electrolyte interfaces for solid-state energy storage using ion soft landing

    PubMed Central

    Prabhakaran, Venkateshkumar; Mehdi, B. Layla; Ditto, Jeffrey J.; Engelhard, Mark H.; Wang, Bingbing; Gunaratne, K. Don D.; Johnson, David C.; Browning, Nigel D.; Johnson, Grant E.; Laskin, Julia

    2016-01-01

    The rational design of improved electrode–electrolyte interfaces (EEI) for energy storage is critically dependent on a molecular-level understanding of ionic interactions and nanoscale phenomena. The presence of non-redox active species at EEI has been shown to strongly influence Faradaic efficiency and long-term operational stability during energy storage processes. Herein, we achieve substantially higher performance and long-term stability of EEI prepared with highly dispersed discrete redox-active cluster anions (50 ng of pure ∼0.75 nm size molybdenum polyoxometalate (POM) anions on 25 μg (∼0.2 wt%) carbon nanotube (CNT) electrodes) by complete elimination of strongly coordinating non-redox species through ion soft landing (SL). Electron microscopy provides atomically resolved images of a uniform distribution of individual POM species soft landed directly on complex technologically relevant CNT electrodes. In this context, SL is established as a versatile approach for the controlled design of novel surfaces for both fundamental and applied research in energy storage. PMID:27097686

  6. Rational design of efficient electrode-electrolyte interfaces for solid-state energy storage using ion soft landing.

    PubMed

    Prabhakaran, Venkateshkumar; Mehdi, B Layla; Ditto, Jeffrey J; Engelhard, Mark H; Wang, Bingbing; Gunaratne, K Don D; Johnson, David C; Browning, Nigel D; Johnson, Grant E; Laskin, Julia

    2016-04-21

    The rational design of improved electrode-electrolyte interfaces (EEI) for energy storage is critically dependent on a molecular-level understanding of ionic interactions and nanoscale phenomena. The presence of non-redox active species at EEI has been shown to strongly influence Faradaic efficiency and long-term operational stability during energy storage processes. Herein, we achieve substantially higher performance and long-term stability of EEI prepared with highly dispersed discrete redox-active cluster anions (50 ng of pure ∼0.75 nm size molybdenum polyoxometalate (POM) anions on 25 μg (∼0.2 wt%) carbon nanotube (CNT) electrodes) by complete elimination of strongly coordinating non-redox species through ion soft landing (SL). Electron microscopy provides atomically resolved images of a uniform distribution of individual POM species soft landed directly on complex technologically relevant CNT electrodes. In this context, SL is established as a versatile approach for the controlled design of novel surfaces for both fundamental and applied research in energy storage.

  7. Targeted proteomic quantification on quadrupole-orbitrap mass spectrometer.

    PubMed

    Gallien, Sebastien; Duriez, Elodie; Crone, Catharina; Kellmann, Markus; Moehring, Thomas; Domon, Bruno

    2012-12-01

    There is an immediate need for improved methods to systematically and precisely quantify large sets of peptides in complex biological samples. To date protein quantification in biological samples has been routinely performed on triple quadrupole instruments operated in selected reaction monitoring mode (SRM), and two major challenges remain. Firstly, the number of peptides to be included in one survey experiment needs to be increased to routinely reach several hundreds, and secondly, the degree of selectivity should be improved so as to reliably discriminate the targeted analytes from background interferences. High resolution and accurate mass (HR/AM) analysis on the recently developed Q-Exactive mass spectrometer can potentially address these issues. This instrument presents a unique configuration: it is constituted of an orbitrap mass analyzer equipped with a quadrupole mass filter as the front-end for precursor ion mass selection. This configuration enables new quantitative methods based on HR/AM measurements, including targeted analysis in MS mode (single ion monitoring) and in MS/MS mode (parallel reaction monitoring). The ability of the quadrupole to select a restricted m/z range allows one to overcome the dynamic range limitations associated with trapping devices, and the MS/MS mode provides an additional stage of selectivity. When applied to targeted protein quantification in urine samples and benchmarked with the reference SRM technique, the quadrupole-orbitrap instrument exhibits similar or better performance in terms of selectivity, dynamic range, and sensitivity. This high performance is further enhanced by leveraging the multiplexing capability of the instrument to design novel acquisition methods and apply them to large targeted proteomic studies for the first time, as demonstrated on 770 tryptic yeast peptides analyzed in one 60-min experiment. The increased quality of quadrupole-orbitrap data has the potential to improve existing protein

  8. Penning traps with unitary architecture for storage of highly charged ions.

    PubMed

    Tan, Joseph N; Brewer, Samuel M; Guise, Nicholas D

    2012-02-01

    Penning traps are made extremely compact by embedding rare-earth permanent magnets in the electrode structure. Axially-oriented NdFeB magnets are used in unitary architectures that couple the electric and magnetic components into an integrated structure. We have constructed a two-magnet Penning trap with radial access to enable the use of laser or atomic beams, as well as the collection of light. An experimental apparatus equipped with ion optics is installed at the NIST electron beam ion trap (EBIT) facility, constrained to fit within 1 meter at the end of a horizontal beamline for transporting highly charged ions. Highly charged ions of neon and argon, extracted with initial energies up to 4000 eV per unit charge, are captured and stored to study the confinement properties of a one-magnet trap and a two-magnet trap. Design considerations and some test results are discussed.

  9. Ion-polyether coordination complexes: crystalline ionic conductors for clean energy storage.

    PubMed

    Bruce, Peter G

    2006-03-21

    Ion-polyether complexes are the solid state analogues of crown ether and cryptand complexes. They represent a fascinating class of coordination compounds in their own right, with the ability to support ionic conductivity and the potential to be used as electrolytes in all-solid-state rechargeable lithium batteries. Here the recent discovery of ionic conductivity in crystalline ion-polyether complexes, when for 30 years such materials were considered to be insulators, is described, along with their closely related structural chemistry.

  10. Transverse beam emittance measurement using quadrupole variation at KIRAMS-430

    NASA Astrophysics Data System (ADS)

    An, Dong Hyun; Hahn, Garam; Park, Chawon

    2015-02-01

    In order to produce a 430 MeV/u carbon ion (12 C 6+) beam for medical therapy, the Korea Institute of Radiological & Medical Sciences (KIRAMS) has carried out the development of a superconducting isochronous cyclotron, the KIRAMS-430. At the extraction of the cyclotron, an Energy Selection System (ESS) is located to modulate the fixed beam energy and to drive the ion beam through High Energy Beam Transport (HEBT) into the treatment room. The beam emittance at the ion beamline is to be measured to provide information on designing a beam with high quality. The well-known quadrupole variation method was used to determine the feasibility of measuring the transverse beam emittance. The beam size measured at the beam profile monitor (BPM) is to be utilized and the transformation of beam by transfer matrix is to be applied being taken under various transport condition of varying quadrupole magnetic strength. Two different methods where beam optics are based on the linear matrix formalism and particle tracking with a 3-D magnetic field distribution obtained by using OPERA3D TOSCA, are applied to transport the beam. The fittings for the transformation parameters are used to estimate the transverse emittance and the twiss parameters at the entrance of the quadrupole in the ESS. Including several systematic studies, we conclude that within the uncertainty the estimated emittances are consistent with the ones calculated by using Monte Carlo simulations.

  11. An electrostatic storage ring for atomic and molecular science

    NASA Astrophysics Data System (ADS)

    Tanabe, T.; Chida, K.; Noda, K.; Watanabe, I.

    2002-04-01

    An electrostatic storage ring with a circumference of 8.1 m was designed for the research of atomic and molecular science. The race-track ring consists of two 160° deflectors, four 10° deflectors and four quadrupole doublets. For the 160° deflectors, a cylindrical shape has been adopted. In this ring, there are four types of stable regions with and without waists of the beam envelope in the middle of the deflectors. A beam test was performed with 20-keV ion beams from an ECR ion source. The observed lifetimes of beams stored in each stable region were different under the same conditions, except for the tune values. The lifetimes did not depend much on the injected beam intensity for a current of less than about 100 nA. The design and performance of the electrostatic storage ring are presented.

  12. Storage Stability in Reversion Mutation of a Rice Line Devoid of LOX-1, 2 Acquired by Ion Beam Irradiation

    NASA Astrophysics Data System (ADS)

    Jiang, Jiayue; Wu, Jinhua; Wu, Yuejin; Song, Mei; Wang, Xiangqin; Liu, Binmei; Yu, Zengliang

    2009-02-01

    The effect of absence of lipoxygenase isoenzyme (LOX) on storage stability was investigated. Rice mutant 1297 without lipoxygenase isoenzyme-1 LOX-1 or lipoxygenase isoenzyme-2 (LOX-2) generated by ion beam irradiation from Wanjian2090 and reversion mutant RM1297 with LOX-1 and LOX-2 were subjected to an accelerated-aging experiment. Shanyou63 (with LOX-1 and LOX-2) served as control. Results showed that the germination and dehydrogenase activity decreased while the electrical conductivity and free fatty acid content increased in all varieties with accelerated aging. In 1297 that lacked LOX-1 and 2, there were slight changes in germination, dehydrogenase activity, membrane permeability and free fatty acid content during the thirty-day accelerated-aging experiment. But in varieties with LOX-1 and LOX-2, significant changes were observed, suggesting that LOX-1, 2 might be a definite factor which influenced seed lifespan. This study also indicates that ion beam irradiation may be used as mutagen to generate mutant and reversion mutants for biological study and could become a new direction in ion beam application.

  13. Ion Beam Stabilization of FePt Nanoparticle Arrays for Magnetic Storage Media

    SciTech Connect

    Toney, Michael F

    2003-07-31

    The authors describe the use of ion beam induced crosslinking to harden the organic matrix material of self-assembled arrays of monodisperse (4 nm) FePt nanoparticles, providing diamondlike carbon barriers to inhibit agglomeration of the nanoparticles under heat treatment. Such stabilization is necessary for the particles to survive the > 500 C annealing required for growth of the fct L 1{sub 0} phase of FePt, whose magnetic anisotropy is necessary for application of such arrays for high density perpendicular recording. Selective area irradiation of continuous nanoparticle coatings, using ion beams patterned over a full disk by stencil mask or with ion projection optics, followed by dissolution of the unexposed coating, is proposed as a means of fabricating extended bit patterns consisting of isolated islands of FePt nanoparticles, with characteristic dimensions of tens of nanometers.

  14. Highly Reversible Lithium-ions Storage of Molybdenum Dioxide Nanoplates for High Power Lithium-ion Batteries.

    PubMed

    Liu, Xiaolin; Yang, Jun; Hou, Wenhua; Wang, Jiulin; Nuli, Yanna

    2015-08-24

    Herein, MoO2 nanoplates have been facilely prepared through a hydrothermal process by using MoO3 microbelts as the intercalation host. The obtained MoO2 nanoplates manifest excellent electrochemical properties when the discharge cutoff voltage is simply set at 1.0 V to preclude the occurrence of conversion reactions. Its initial reversible capacity reaches 251 mAh g(-1), which is larger than that of Li4Ti5O12 , at a current rate of 0.2 C. The average capacity decay is only 0.0465 mAh g(-1) per cycle, with a coulombic efficiency of 99.5% (from the 50th cycle onward) for 2000 cycles at 1 C. Moreover, this MoO2 electrode demonstrates an outstanding high power performance. When the current rate is increased from 0.2 to 50 C, about 54% of the capacity is retained. The superior electrochemical performance can be attributed to the metallic conductivity of MoO2, short Li(+) diffusion distance in the nanoplates, and reversible crystalline phase conversion of the addition-type reaction of MoO2. The prepared MoO2 nanoplates may hopefully replace their currently used analogues, such as Li4Ti5O12 , in high power lithium-ion batteries.

  15. Li-Ion Batteries from LiFePO4 Cathode and Anatase/Graphene Composite Anode for Stationary Energy Storage

    SciTech Connect

    Choi, Daiwon; Wang, Donghai; Viswanathan, Vilayanur V.; Bae, In-Tae; Wang, Wei; Nie, Zimin; Zhang, Jiguang; Graff, Gordon L.; Liu, Jun; Yang, Zhenguo; Duong, Tien Q.

    2009-11-06

    Li-ion batteries based on LiFePO4 cathode and anatase TiO2/graphene anode were investigated for possible stationary energy storage application. Fine-structured LiFePO4 was synthesized by novel molten surfactant approach. Anatase TiO2/graphene nanocomposite was prepared via self assembly method. The full cell that operated at flat 1.6V demonstrated negligible fade after more than 700 cycles. The LiFePO4/TiO2 combination Li-ion battery is inexpensive, environmentally benign, safe and stable. Therefore, it can be practically applied as stationary energy storage for renewable power sources.

  16. ELECTRON TRAPPING IN WIGGLER AND QUADRUPOLE MAGNETS OF CESRTA

    SciTech Connect

    Wang, Lanfa; Huang, Xiaobiao; Pivi, Mauro; /SLAC

    2010-08-25

    The Cornell Electron Storage Ring (CESR) has been reconfigured as an ultra low emittance damping ring for use as a test accelerator (CesrTA) for International Linear Collider (ILC) damping ring R&D [1]. One of the primary goals of the CesrTA program is to investigate the interaction of the electron cloud with low emittance positron beam to explore methods to suppress the electron cloud, develop suitable advanced instrumentation required for these experimental studies and benchmark predictions by simulation codes. This paper reports the simulation of the electron-cloud formation in the wiggler and quadrupole magnets using the 3D code CLOUDLAND. We found that electrons can be trapped with long lifetime in a quadrupole magnet due to the mirror field trapping mechanism and photoelectrons produced in the wiggler zero field zone have long lifetime due to their complicated trajectory.

  17. Lithium Storage Mechanisms in Purpurin Based Organic Lithium Ion Battery Electrodes

    DTIC Science & Technology

    2012-12-11

    Advances in Lithium-ion batteries (Kluwer Academic/Plenum, New York, 2002). 7. Mizushima, K., Jones, P. C., Wiseman, P. J. & Goodenough , J. B. LixCoO2 (0...P. G. & Goodenough , J. B. Electrochemical extraction of lithium from LiMn2O4. Mat. Res. Bull. 18, 461 (1983). 9. Recham, N., Chotard, J. N., Dupont

  18. Precision Mass Measurements of Short-Lived Nuclides at The Heavy-Ion Storage Ring in Lanzhou

    NASA Astrophysics Data System (ADS)

    Zhang, Yuhu; Xu, Hushan; Litvinov, Yuri A.

    Recent commissioning of the Cooler Storage Ring at the Heavy Ion Research Facility in Lanzhou enabled us to conduct high-precision mass measurements at the Institute of Modern Physics in Lanzhou (IMP). In the past few years, mass measurements were performed using the CSRe-based isochronous mass spectrometry employing the fragmentation of the energetic beams of 58Ni, 78Kr, 86Kr, and 112Sn projectiles. Masses of short-lived nuclides of on both sides of the stability valley were addressed. Relative mass precision of down to 10-6-10-7 is routinely achieved. The mass values were used as an input for dedicated nuclear structure and astrophysics studies, providing for instance new insights into the rp-process of nucleosynthesis in X-ray bursts. In this contribution, we briefly review the so far conducted experiments and the main achieved results, as well as outline the plans for future experiments.

  19. Single-particle detection of products from atomic and molecular reactions in a cryogenic ion storage ring

    NASA Astrophysics Data System (ADS)

    Krantz, C.; Novotný, O.; Becker, A.; George, S.; Grieser, M.; Hahn, R. von; Meyer, C.; Schippers, S.; Spruck, K.; Vogel, S.; Wolf, A.

    2017-04-01

    We have used a single-particle detector system, based on secondary electron emission, for counting low-energetic (∼keV/u) massive products originating from atomic and molecular ion reactions in the electrostatic Cryogenic Storage Ring (CSR). The detector is movable within the cryogenic vacuum chamber of CSR, and was used to measure production rates of a variety of charged and neutral daughter particles. In operation at a temperature of ∼ 6 K , the detector is characterised by a high dynamic range, combining a low dark event rate with good high-rate particle counting capability. On-line measurement of the pulse height distributions proved to be an important monitor of the detector response at low temperature. Statistical pulse-height analysis allows to infer the particle detection efficiency of the detector, which has been found to be close to unity also in cryogenic operation at 6 K.

  20. Ultra-fast aqueous Li-ion redox energy storage from vanadium oxide-carbon nanotube yarn electrodes

    NASA Astrophysics Data System (ADS)

    Smithyman, Jesse; Do, Quyet H.; Zeng, Changchun; Liang, Zhiyong

    2015-03-01

    Half-cell electrochemical characterizations were conducted on carbon nanotube-vanadium oxide (CNT-VOx) yarn electrodes in an 8 M LiCl aqueous electrolyte. A supercritical fluid deposition and in-situ oxidation process was utilized to deposit nanoscale coatings of vanadium oxide on carbon nanotube (CNT) surfaces throughout the porous structure of CNT yarns. The high surface area, interconnected pore structure and high electrical conductivity of the CNT yarn enabled extraordinary rate capabilities from the high capacity Li/VOx system. High-rate cyclic voltammetry scans, requiring current densities of hundreds of amperes per gram of electrode mass, produced rectangular voltammograms with distinguishable redox peaks from Li-ion intercalation/deintercalation. Capacitances of over 150 F g-1 were achieved at a scan rate of 5 V s-1 over a 1.2 V potential window resulting in an energy density of >32 Wh kg-1 (>30 Wh L-1) for the yarn electrode. The charge storage also showed good reversibility when cycled over this large potential window, maintaining 90% of the capacitance after 100 cycles at a scan rate of 2 V s-1. Electrochemical impedance spectroscopy shows the frequency dependent behavior is distinctly lacking of the characteristic responses from the rate-limiting processes associated with faradaic charge storage in VOx.

  1. Triple Quadrupole Versus High Resolution Quadrupole-Time-of-Flight Mass Spectrometry for Quantitative LC-MS/MS Analysis of 25-Hydroxyvitamin D in Human Serum

    NASA Astrophysics Data System (ADS)

    Geib, Timon; Sleno, Lekha; Hall, Rabea A.; Stokes, Caroline S.; Volmer, Dietrich A.

    2016-08-01

    We describe a systematic comparison of high and low resolution LC-MS/MS assays for quantification of 25-hydroxyvitamin D3 in human serum. Identical sample preparation, chromatography separations, electrospray ionization sources, precursor ion selection, and ion activation were used; the two assays differed only in the implemented final mass analyzer stage; viz. high resolution quadrupole-quadrupole-time-of-flight (QqTOF) versus low resolution triple quadrupole instruments. The results were assessed against measured concentration levels from a routine clinical chemiluminescence immunoassay. Isobaric interferences prevented the simple use of TOF-MS spectra for extraction of accurate masses and necessitated the application of collision-induced dissociation on the QqTOF platform. The two mass spectrometry assays provided very similar analytical figures of merit, reflecting the lack of relevant isobaric interferences in the MS/MS domain, and were successfully applied to determine the levels of 25-hydroxyvitamin D for patients with chronic liver disease.

  2. Triple Quadrupole Versus High Resolution Quadrupole-Time-of-Flight Mass Spectrometry for Quantitative LC-MS/MS Analysis of 25-Hydroxyvitamin D in Human Serum.

    PubMed

    Geib, Timon; Sleno, Lekha; Hall, Rabea A; Stokes, Caroline S; Volmer, Dietrich A

    2016-08-01

    We describe a systematic comparison of high and low resolution LC-MS/MS assays for quantification of 25-hydroxyvitamin D3 in human serum. Identical sample preparation, chromatography separations, electrospray ionization sources, precursor ion selection, and ion activation were used; the two assays differed only in the implemented final mass analyzer stage; viz. high resolution quadrupole-quadrupole-time-of-flight (QqTOF) versus low resolution triple quadrupole instruments. The results were assessed against measured concentration levels from a routine clinical chemiluminescence immunoassay. Isobaric interferences prevented the simple use of TOF-MS spectra for extraction of accurate masses and necessitated the application of collision-induced dissociation on the QqTOF platform. The two mass spectrometry assays provided very similar analytical figures of merit, reflecting the lack of relevant isobaric interferences in the MS/MS domain, and were successfully applied to determine the levels of 25-hydroxyvitamin D for patients with chronic liver disease. Graphical Abstract ᅟ.

  3. Commissioning of helium injector for coupled radio frequency quadrupole and separated function radio frequency quadrupole accelerator.

    PubMed

    Peng, Shixiang; Chen, Jia; Ren, Haitao; Zhao, Jie; Xu, Yuan; Zhang, Tao; Zhang, Ailing; Xia, Wenlong; Gao, Shuli; Wang, Zhi; Luo, Yuting; Guo, Zhiyu; Chen, Jia'er

    2014-02-01

    A project to study a new type of acceleration structure has been launched at Peking University, in which a traditional radio frequency quadrupole (RFQ) and a separated function radio frequency quadrupole are coupled in one cavity to accelerate the He+ beam. A helium injector for this project is developed. The injector consists of a 2.45 GHz permanent magnet electron cyclotron resonance ion source and a 1.16 m long low energy beam transport (LEBT). The commissioning of this injector was carried out and an onsite test was held in June 2013. A 14 mA He+ beam with the energy of 30 keV has been delivered to the end of the LEBT, where a diaphragm with the diameter of 7 mm is located. The position of the diaphragm corresponds to the entrance of the RFQ electrodes. The beam emittance and fraction were measured after the 7 mm diaphragm. Its rms emittance is about 0.14 π mm mrad and the fraction of He+ is about 99%.

  4. Commissioning of helium injector for coupled radio frequency quadrupole and separated function radio frequency quadrupole accelerator

    SciTech Connect

    Peng, Shixiang Chen, Jia; Ren, Haitao; Zhao, Jie; Xu, Yuan; Zhang, Tao; Xia, Wenlong; Gao, Shuli; Wang, Zhi; Luo, Yuting; Guo, Zhiyu; Zhang, Ailing; Chen, Jia'er

    2014-02-15

    A project to study a new type of acceleration structure has been launched at Peking University, in which a traditional radio frequency quadrupole (RFQ) and a separated function radio frequency quadrupole are coupled in one cavity to accelerate the He+ beam. A helium injector for this project is developed. The injector consists of a 2.45 GHz permanent magnet electron cyclotron resonance ion source and a 1.16 m long low energy beam transport (LEBT). The commissioning of this injector was carried out and an onsite test was held in June 2013. A 14 mA He+ beam with the energy of 30 keV has been delivered to the end of the LEBT, where a diaphragm with the diameter of 7 mm is located. The position of the diaphragm corresponds to the entrance of the RFQ electrodes. The beam emittance and fraction were measured after the 7 mm diaphragm. Its rms emittance is about 0.14 π mm mrad and the fraction of He+ is about 99%.

  5. Green energy storage materials: advanced nanostructured materials for lithium-ion batteries

    NASA Astrophysics Data System (ADS)

    Tripathi, Alok Mani; Chandrasekar, M. S.; Mitra, Sagar

    2011-06-01

    The projected doubling of world energy consumption in the next fifty years requires certain measures to meet this demand. The ideal energy provider is reliable, efficient, with low emissions source - wind, solar, etc. The low carbon footprint of renewables is an added benefit, which makes them especially attractive during this era of environmental consciousness. Unfortunately, the intermittent nature of energy from these renewables is not suitable for the commercial and residential grid application, unless the power delivery is 24/7, with minimum fluctuation. This requires intervention of efficient electrical energy storage technology to make power generation from renewable practical. The progress to higher energy and power density especially for battery technology will push material to the edge of stability and yet these materials must be rendered safe, stable and with reliable operation throughout their long life. A major challenge for chemical energy storage is developing the ability to store more energy while maintaining stable electrode-electrolyte interface. A structural transformation occurs during charge-discharge cycle, accompanied by a volume change, degrading the microstructure over-time. The need to mitigate this volume and structural change accompanying charge-discharge cycle necessitates going to nanostructured and multifunctional materials that have the potential of dramatically enhancing the energy density and power density.

  6. Improved ion optics for introduction of ions into a 9.4-T Fourier transform ion cyclotron resonance mass spectrometer.

    PubMed

    Chen, Yu; Leach, Franklin E; Kaiser, Nathan K; Dang, Xibei; Ibrahim, Yehia M; Norheim, Randolph V; Anderson, Gordon A; Smith, Richard D; Marshall, Alan G

    2015-01-01

    Enhancements to the ion source and transfer optics of our 9.4 T Fourier transform ion cyclotron resonance (ICR) mass spectrometer have resulted in improved ion transmission efficiency for more sensitive mass measurement of complex mixtures at the MS and MS/MS levels. The tube lens/skimmer has been replaced by a dual ion funnel and the following octopole by a quadrupole for reduced ion cloud radial expansion before transmission into a mass-selective quadrupole. The number of ions that reach the ICR cell is increased by an order of magnitude for the funnel/quadrupole relative to the tube lens/skimmer/octopole.

  7. Facile Synthesis of Layer Structured GeP3/C with Stable Chemical Bonding for Enhanced Lithium-Ion Storage

    NASA Astrophysics Data System (ADS)

    Qi, Wen; Zhao, Haihua; Wu, Ying; Zeng, Hong; Tao, Tao; Chen, Chao; Kuang, Chunjiang; Zhou, Shaoxiong; Huang, Yunhui

    2017-02-01

    Recently, metal phosphides have been investigated as potential anode materials because of higher specific capacity compared with those of carbonaceous materials. However, the rapid capacity fade upon cycling leads to poor durability and short cycle life, which cannot meet the need of lithium-ion batteries with high energy density. Herein, we report a layer-structured GeP3/C nanocomposite anode material with high performance prepared by a facial and large-scale ball milling method via in-situ mechanical reaction. The P-O-C bonds are formed in the composite, leading to close contact between GeP3 and carbon. As a result, the GeP3/C anode displays excellent lithium storage performance with a high reversible capacity up to 1109 mA h g‑1 after 130 cycles at a current density of 0.1 A g‑1. Even at high current densities of 2 and 5 A g‑1, the reversible capacities are still as high as 590 and 425 mA h g‑1, respectively. This suggests that the GeP3/C composite is promising to achieve high-energy lithium-ion batteries and the mechanical milling is an efficient method to fabricate such composite electrode materials especially for large-scale application.

  8. Facile Synthesis of Layer Structured GeP3/C with Stable Chemical Bonding for Enhanced Lithium-Ion Storage

    PubMed Central

    Qi, Wen; Zhao, Haihua; Wu, Ying; Zeng, Hong; Tao, Tao; Chen, Chao; Kuang, Chunjiang; Zhou, Shaoxiong; Huang, Yunhui

    2017-01-01

    Recently, metal phosphides have been investigated as potential anode materials because of higher specific capacity compared with those of carbonaceous materials. However, the rapid capacity fade upon cycling leads to poor durability and short cycle life, which cannot meet the need of lithium-ion batteries with high energy density. Herein, we report a layer-structured GeP3/C nanocomposite anode material with high performance prepared by a facial and large-scale ball milling method via in-situ mechanical reaction. The P-O-C bonds are formed in the composite, leading to close contact between GeP3 and carbon. As a result, the GeP3/C anode displays excellent lithium storage performance with a high reversible capacity up to 1109 mA h g−1 after 130 cycles at a current density of 0.1 A g−1. Even at high current densities of 2 and 5 A g−1, the reversible capacities are still as high as 590 and 425 mA h g−1, respectively. This suggests that the GeP3/C composite is promising to achieve high-energy lithium-ion batteries and the mechanical milling is an efficient method to fabricate such composite electrode materials especially for large-scale application. PMID:28240247

  9. 3D simulations of an electrostatic quadrupole injector

    SciTech Connect

    Grote, D.P. |; Friedman, A.; Yu, S.

    1993-02-01

    Analysis of the dynamics of a space charge dominated beam in a lattice of electrostatic focusing structures requires a full three-dimensional conic that includes self-consistent space charge fields and the fields from the complex conductor shapes. The existing WARP3d code, a particle simulation code which has been developed for heavy-ion fusion (HIF) applications contains machinery for handling particles in three-dimensional fields. A successive overrelaxation field solver with subgrid-scale placement of boundaries for rounded surface and four-fold symmetry has been added to the code. The electrostatic quadrupole (ESQ) injector for the ILSE accelerator facility being planned at Lawrence Berkeley Laboratory is shown as an application. The issue of concern is possible emittance degradation because the focusing voltages are a significant fraction of the particles` energy and because there are significant nonlinear fields arising from the shapes of the quadrupole structures.

  10. Investigation of the Storage Behavior of Shredded Lithium-Ion Batteries from Electric Vehicles for Recycling Purposes.

    PubMed

    Grützke, Martin; Krüger, Steffen; Kraft, Vadim; Vortmann, Britta; Rothermel, Sergej; Winter, Martin; Nowak, Sascha

    2015-10-26

    Shredding of the cells is often the first step in lithium-ion battery (LIB) recycling. Thus, LiNi1/3 Mn1/3 Co1/3 O2 (NMC)/graphite lithium-ion cells from a field-tested electric vehicle were shredded and transferred to tinplate or plastic storage containers. The formation of hazardous compounds within, and being released from, these containers was monitored over 20 months. The tinplate cans underwent fast corrosion as a result of either residual charge in the active battery material, which could not fully be discharged because of contact loss to the current collector, or redox reactions between the tinplate surface and metal parts of the shredded material. The headspace compositions of the containers were investigated at room temperature and 150 °C using headspace-gas chromatography-mass spectrometry (HS-GC-MS). Samples of the waste material were also collected using microwave-assisted extraction and the extracts were analyzed over a period of 20 months using ion chromatography-electrospray ionization-mass spectrometry (IC-ESI-MS). LiPF6 was identified as a conducting salt, whereas dimethyl carbonate, ethyl methyl carbonate, and ethylene carbonate were the main solvent components. Cyclohexylbenzene was also detected, which is an additive for overcharge protection. Diethyl carbonate, fluoride, difluorophosphate and several ionic and non-ionic alkyl (fluoro)phosphates were also identified. Importantly, dimethyl fluorophosphate (DMFP) and diethyl fluorophosphate (DEFP) were quantified using HS-GC-MS through the use of an internal standard. DMFP, DEFP, and related compounds are known as chemical warfare agents, and the presence of these materials is of great interest. In the case of this study, these hazardous materials are present but in manageable low concentrations. Nonetheless, the presence of such compounds and their potential release during an accident that may occur during shredding or recycling of large amounts of LIB waste should be considered.

  11. Tin Oxide-Carbon-Coated Sepiolite Nanofibers with Enhanced Lithium-Ion Storage Property.

    PubMed

    Hou, Kai; Wen, Xin; Yan, Peng; Tang, Aidong; Yang, Huaming

    2017-12-01

    Natural sepiolite (Sep) nanofibers were coated with carbon and nanoscale SnO2 to prepare an emerging nanocomposite (SnO2-C@Sep), which exhibited enhanced electrochemical performance. Sepiolite could act as a steady skeleton, carbon coating principally led sepiolite from an isolated to an electric state, and decoration of nanoscale SnO2 was beneficial to the functionization of sepiolite. Cycling performances indicated that SnO2-C@Sep showed higher discharge capacities than commercial SnO2 after 50 cycles. The nanocomposite SnO2-C@Sep possessed enhanced lithium storage properties with stable capacity retention and low cost, which could open up a new strategy to synthesize a variety of functional hybrid materials based on the cheap and abundant clay and commercialization of lithium-metal oxide batteries.

  12. Charge transport and storage in ion implanted metal-oxide-semiconductor structures

    NASA Astrophysics Data System (ADS)

    Augulis, L.; Pranevičius, L.; Vosylius, J.

    A physical model that predicts charge accumulation in MOS structures with implanted SiO 2 is investigated theoretically and experimentally. It is shown that, to achieve memory effects, MOS structures have to include a SiO 2 layer with different conduction mechanism along its thickness. The sign of the flat-band voltage shift depends on the localization of traps in oxide created by ion implantation. The time characteristics of charge accumulation and discharging of implanted SiO 2 by the pulses of applied voltage are similar to those observed in MNOS structures.

  13. Ion-Ion Neutralization.

    DTIC Science & Technology

    1980-12-31

    plasma were identified using a downstream quadrupole mass spectrometer. In these experimento it is a simple matter to establish H+(H 2 0):f as the...pressure as predicted by the Thomson t2rnary mechanism whicK hzr been suownr to be valid experimentally at hiTh rrsurs (,han and Peron, 1:EI4 hereafter t...of NO , NO2 ions in various gases and the ternary recombination coefficients of these ions in the higher pres:;ure ( Thomson ) re"ie. Equation (5) cr>n

  14. Graphene-wrapped CoS nanoparticles for high-capacity lithium-ion storage.

    PubMed

    Gu, Yan; Xu, Yi; Wang, Yong

    2013-02-01

    Graphene-wrapped CoS nanoparticles are synthesized by a solvothermal approach. The product is significantly different from porous CoS microspheres prepared in the absence of graphene under similar preparation conditions. The CoS microspheres and CoS/graphene composite are fabricated as anode materials for lithium-ion batteries. The CoS/graphene composite is found to be better suitable as an anode in terms of higher capacity and better cycling performances. The nanocomposite exhibits an unprecedented high reversible capacity of 1056 mA h/g among all cobalt sulfide-based anode materials. Good cycling performances are also observed at both small and high current rates.

  15. A Vibrating Wire System For Quadrupole Fiducialization

    SciTech Connect

    Wolf, Zachary

    2010-12-13

    A vibrating wire system is being developed to fiducialize the quadrupoles between undulator segments in the LCLS. This note provides a detailed analysis of the system. The LCLS will have quadrupoles between the undulator segments to keep the electron beam focused. If the quadrupoles are not centered on the beam axis, the beam will receive transverse kicks, causing it to deviate from the undulator axis. Beam based alignment will be used to move the quadrupoles onto a straight line, but an initial, conventional alignment must place the quadrupole centers on a straight line to 100 {micro}m. In the fiducialization step of the initial alignment, the position of the center of the quadrupole is measured relative to tooling balls on the outside of the quadrupole. The alignment crews then use the tooling balls to place the magnet in the tunnel. The required error on the location of the quadrupole center relative to the tooling balls must be less than 25 {micro}m. In this note, we analyze a system under construction for the quadrupole fiducialization. The system uses the vibrating wire technique to position a wire onto the quadrupole magnetic axis. The wire position is then related to tooling balls using wire position detectors. The tooling balls on the wire position detectors are finally related to tooling balls on the quadrupole to perform the fiducialization. The total 25 {micro}m fiducialization error must be divided between these three steps. The wire must be positioned onto the quadrupole magnetic axis to within 10 {micro}m, the wire position must be measured relative to tooling balls on the wire position detectors to within 15 {micro}m, and tooling balls on the wire position detectors must be related to tooling balls on the quadrupole to within 10 {micro}m. The techniques used in these three steps will be discussed. The note begins by discussing various quadrupole fiducialization techniques used in the past and discusses why the vibrating wire technique is our method

  16. Template copolymerization to control site structure around metal ions: Applications towards sensing and gas storage and release

    NASA Astrophysics Data System (ADS)

    Mitchell-Koch, Jeremy T.

    The development of functional materials for sensing and gas storage and release is useful in a number of chemical and biological applications. Investigating function of molecularly imprinted polymers (MIP), often used for these purposes, has relied on circumstantial evidence because direct examination of immobilized sites is not possible. Described in this dissertation is the design, synthesis, characterization and function studies of materials synthesized by template copolymerization methods. Metal ions exhibit unique spectroscopic properties and their utilization makes site examination more feasible. Ligand binding modulates these properties such that the event can be measured by spectroscopy. The metal ion's secondary coordination environment can also be tuned to increase or decrease function of the material. In Chapter Two the utilization of template copolymerization to immobilize a europium-containing compound for the detection of volatile organic compounds is described. Luminescence of the immobilized complex is quenched in the presence of volatile organic compounds (VOC). The quenching effect is dependent on concentration of VOC and the nature of polymeric host. Chapters Three and Four describe the development of materials for the photolytic release of nitric oxide (NO). In Chapter Three, a novel manipulation of the immobilized complex is employed to produce binding sites that contain ligands covalently embedded into the host in a position to bind the metal ion upon NO release in order to block rebinding. Incompatible binding affinities of the iron-containing templates made it impossible to study NO photo-release from this material. Second-row transition metals are more compatible with NO binding, and Chapter Four describes a ruthenium salen-containing polymer that releases NO in response to light. Additionally, transfer of NO to a metalloporphyrin and myoglobin has been achieved. This is the first report of photolytic heterogeneous NO transfer by a material

  17. Development of integrated superconducting quadrupole doublet modules for operation in the SIS100 accelerator

    NASA Astrophysics Data System (ADS)

    Meier, J.; Bleile, A.; Ceballos Velasco, J.; Fischer, E.; Hess, G.; Macavei, J.; Spiller, P.

    2015-12-01

    The FAIR project (Facility for Antiproton and Ion Research) evolves and builds an international accelerator- and experimental facility for basic research activities in various fields of modern physics. Within the course of this project, integrated quadrupole doublet modules are in development. The quadrupole doublet modules provide a pair of superconducting main quadrupoles (focusing and defocusing), corrector magnets, cryogenic collimators and beam position monitors as integrated sets of ion-optical elements. Furthermore LHe cooled beam pipes and vacuum cold-warm transitions are used as ultra-high vacuum components for beam transportation. Superconducting bus bars are used for 13 kA current supply of the main quadrupole magnets. All components are integrated as one common cold mass into one cryostat. High temperature super conductor local current leads will be applied for the low current supply of corrector magnets. The quadrupole doublet modules will be operated in the SIS100 heavy ion accelerator, the core component of the FAIR project. A first version of a corrector magnet has already been manufactured at the Joint Institute for Nuclear Research (JINR), Russia, and is now ready for testing. The ion-optical lattice structure of SIS100 requires multiple configurations of named components. Eleven different configurations, organized in four categories, provide the required quadrupole doublet module setups. The high integration level of multiple ion-optical, mechanical and cryogenic functions, based on requirements of operation safety, is leading towards a sophisticated mechanical structure and cooling solution, to satisfy the demanding requirements on position preservation during thermal cycling. The mechanical and cryogenic design solutions will be discussed.

  18. Ultrathin Li3VO4 Nanoribbon/Graphene Sandwich-Like Nanostructures with Ultrahigh Lithium ion Storage Properties

    SciTech Connect

    Lu, Pei-Jun; Liu, Jun N.; Liang, Shuquan; Liu, Jun; Wang, W. J.; Lei, Ming; Tang, Shasha; Yang, Qian

    2015-03-01

    Two-dimensional (2D) "graphene-like" inorganic materials, because of the short lithium ion diffusion path and unique 2D carrier pathways, become a new research focus of the lithium storages. Some "graphene-like" binary compounds, such as, MnO2, MoS2 and VO2 ultrathin nanosheets, have been synthesized by a peeling method, which also exhibit enhanced lithium storage performances. However, it still remains a great challenge to synthesize widely-used lithium-containing ternary oxides with "graphene-like" nanostructures, because the lithium-containing ternary oxides, unlike ternary layered double hydroxides (LDH), are very hard to be directly peeled. Herein, we successfully synthesized ultrathin Li3VO4 nanoribbons with a thickness of about 3 nm by transformation from ultrathin V2O5•xH2O nanoribbons, moreover, we achieved the preparation of ultrathin Li3VO4 nanoribbon@graphene sandwich-like nanostructures (LVO/G) through a layer-by-layer assembly method. The unique sandwich-like nanostructures shows not only a high specific reversible capacitance (up to 452.5 mA h•g-1 after 200 cycles) but also an excellent cycling performance (with more than 299.2 mA h•g-1 of the capacity at 10 C after 1000 cycles) as well as very high rate capability. Such template strategy, using "graphene-like" binary inorganic nanosheets as templates to synthesize lithium-containing ternary oxide nanosheets, may be extended to prepare other ternary oxides with "graphene-like" nanostructures

  19. Mesoporous Carbon Nanofibers Embedded with MoS2 Nanocrystals for Extraordinary Li-Ion Storage.

    PubMed

    Hu, Shan; Chen, Wen; Uchaker, Evan; Zhou, Jing; Cao, Guozhong

    2015-12-07

    MoS2 nanocrystals embedded in mesoporous carbon nanofibers are synthesized through an electrospinning process followed by calcination. The resultant nanofibers are 100-150 nm in diameter and constructed from MoS2 nanocrystals with a lateral diameter of around 7 nm with specific surface areas of 135.9 m(2)  g(-1) . The MoS2 @C nanofibers are treated at 450 °C in H2 and comparison samples annealed at 800 °C in N2 . The heat treatments are designed to achieve good crystallinity and desired mesoporous microstructure, resulting in enhanced electrochemical performance. The small amount of oxygen in the nanofibers annealed in H2 contributes to obtaining a lower internal resistance, and thus, improving the conductivity. The results show that the nanofibers obtained at 450 °C in H2 deliver an extraordinary capacity of 1022 mA h g(-1) and improved cyclic stability, with only 2.3 % capacity loss after 165 cycles at a current density of 100 mA g(-1) , as well as an outstanding rate capability. The greatly improved kinetics and cycling stability of the mesoporous MoS2 @C nanofibers can be attributed to the crosslinked conductive carbon nanofibers, the large specific surface area, the good crystallinity of MoS2 , and the robust mesoporous microstructure. The resulting nanofiber electrodes, with short mass- and charge-transport pathways, improved electrical conductivity, and large contact area exposed to electrolyte, permitting fast diffusional flux of Li ions, explains the improved kinetics of the interfacial charge-transfer reaction and the diffusivity of the MoS2 @C mesoporous nanofibers. It is believed that the integration of MoS2 nanocrystals and mesoporous carbon nanofibers may have a synergistic effect, giving a promising anode, and widening the applicability range into high performance and mass production in the Li-ion battery market.

  20. Understanding the Size-Dependent Sodium Storage Properties of Na2C6O6-Based Organic Electrodes for Sodium-Ion Batteries.

    PubMed

    Wang, Yaqun; Ding, Yu; Pan, Lijia; Shi, Ye; Yue, Zhuanghao; Shi, Yi; Yu, Guihua

    2016-05-11

    Organic electroactive materials represent a new generation of sustainable energy storage technology due to their unique features including environmental benignity, material sustainability, and highly tailorable properties. Here a carbonyl-based organic salt Na2C6O6, sodium rhodizonate (SR) dibasic, is systematically investigated for high-performance sodium-ion batteries. A combination of structural control, electrochemical analysis, and computational simulation show that rational morphological control can lead to significantly improved sodium storage performance. A facile antisolvent method was developed to synthesize microbulk, microrod, and nanorod structured SRs, which exhibit strong size-dependent sodium ion storage properties. The SR nanorod exhibited the best performance to deliver a reversible capacity of ∼190 mA h g(-1) at 0.1 C with over 90% retention after 100 cycles. At a high rate of 10 C, 50% of the capacity can be obtained due to enhanced reaction kinetics, and such high electrochemical activity maintains even at 80 °C. These results demonstrate a generic design route toward high-performance organic-based electrode materials for beyond Li-ion batteries. Using such a biomass-derived organic electrode material enables access to sustainable energy storage devices with low cost, high electrochemical performance and thermal stability.

  1. Superior Na-ion storage properties of high aspect ratio SnSe nanoplates prepared by a spray pyrolysis process

    NASA Astrophysics Data System (ADS)

    Park, Gi Dae; Lee, Jong-Heun; Kang, Yun Chan

    2016-06-01

    SnSe nanoplates with thin and uniform morphology are prepared by one-pot spray pyrolysis, and are examined as anode materials for Na-ion batteries. During the spray pyrolysis process, metallic Se and Sn are prepared from SeO2 and SnO2, respectively, under a reducing atmosphere. Metallic Sn and metalloid Se, with melting points of 232 and 221 °C, respectively, form a melted Sn-Se mixture, which reacts exothermally to form SnSe nanocrystals. Several of these nanocrystals are grown simultaneously forming a micron-sized powder. Complete elimination of the excess amount of metalloid Se, by forming H2Se gas, results in aggregation-free SnSe nanoplates. The aspect ratio of these nanoplates is as high as 11.3. The discharge capacities for the SnSe nanoplates, prepared from spray solutions containing 100, 400, and 800% of the stoichiometric SeO2 content needed to form SnSe, are 407, 558, and 211 mA h g-1, respectively, after 50 cycles at a constant current density of 0.3 A g-1 their capacity retentions calculated from the second cycle onwards are 77, 100, and 60%, respectively. The phase pure SnSe nanoplates with a high aspect ratio show good cycling and rate performances for Na-ion storage.SnSe nanoplates with thin and uniform morphology are prepared by one-pot spray pyrolysis, and are examined as anode materials for Na-ion batteries. During the spray pyrolysis process, metallic Se and Sn are prepared from SeO2 and SnO2, respectively, under a reducing atmosphere. Metallic Sn and metalloid Se, with melting points of 232 and 221 °C, respectively, form a melted Sn-Se mixture, which reacts exothermally to form SnSe nanocrystals. Several of these nanocrystals are grown simultaneously forming a micron-sized powder. Complete elimination of the excess amount of metalloid Se, by forming H2Se gas, results in aggregation-free SnSe nanoplates. The aspect ratio of these nanoplates is as high as 11.3. The discharge capacities for the SnSe nanoplates, prepared from spray solutions

  2. A data acquisition and storage system for the ion auxiliary propulsion system cyclic thruster test

    NASA Technical Reports Server (NTRS)

    Hamley, John A.

    1989-01-01

    A nine-track tape drive interfaced to a standard personal computer was used to transport data from a remote test site to the NASA Lewis mainframe computer for analysis. The Cyclic Ground Test of the Ion Auxiliary Propulsion System (IAPS), which successfully achieved its goal of 2557 cycles and 7057 hr of thrusting beam on time generated several megabytes of test data over many months of continuous testing. A flight-like controller and power supply were used to control the thruster and acquire data. Thruster data was converted to RS232 format and transmitted to a personal computer, which stored the raw digital data on the nine-track tape. The tape format was such that with minor modifications, mainframe flight data analysis software could be used to analyze the Cyclic Ground Test data. The personal computer also converted the digital data to engineering units and displayed real time thruster parameters. Hardcopy data was printed at a rate dependent on thruster operating conditions. The tape drive provided a convenient means to transport the data to the mainframe for analysis, and avoided a development effort for new data analysis software for the Cyclic test. This paper describes the data system, interfacing and software requirements.

  3. Bivalence Mn5O8 with hydroxylated interphase for high-voltage aqueous sodium-ion storage

    PubMed Central

    Shan, Xiaoqiang; Charles, Daniel S.; Lei, Yinkai; Qiao, Ruimin; Wang, Guofeng; Yang, Wanli; Feygenson, Mikhail; Su, Dong; Teng, Xiaowei

    2016-01-01

    Aqueous electrochemical energy storage devices have attracted significant attention owing to their high safety, low cost and environmental friendliness. However, their applications have been limited by a narrow potential window (∼1.23 V), beyond which the hydrogen and oxygen evolution reactions occur. Here we report the formation of layered Mn5O8 pseudocapacitor electrode material with a well-ordered hydroxylated interphase. A symmetric full cell using such electrodes demonstrates a stable potential window of 3.0 V in an aqueous electrolyte, as well as high energy and power performance, nearly 100% coulombic efficiency and 85% energy efficiency after 25,000 charge–discharge cycles. The interplay between hydroxylated interphase on the surface and the unique bivalence structure of Mn5O8 suppresses the gas evolution reactions, offers a two-electron charge transfer via Mn2+/Mn4+ redox couple, and provides facile pathway for Na-ion transport via intra-/inter-layer defects of Mn5O8. PMID:27845345

  4. Porous Two-Dimensional Transition Metal Carbide (MXene) Flakes for High-Performance Li-Ion Storage

    SciTech Connect

    Ren, Chang E.; Zhao, M-Q; Makaryan, Taron; Halim, Joseph; Boota, M.; Kota, Sankalp; Anasori, Babak; Barsoum, M W; Gogotsi, Yury

    2016-02-16

    Herein we develop a chemical etching method to produce porous two-dimensional (2D) Ti3C2Tx MXenes at room temperature in aqueous solutions. The as-produced porous Ti3C2Tx (p-Ti3C2Tx) have larger specific surface areas and more open structures than their pristine counterparts, and can be fabricated into flexible films with, or without, the addition of carbon nanotubes (CNTs). The as-fabricated p-Ti3C2Tx/CNT films showed significantly improved lithium ion storage capabilities compared to pristine Ti3C2Tx based films, with a very high capacity of ≈1250 mAh g-1 at 0.1 C, excellent cycling stability, and good rate performance (330 mAh g-1 at 10 C). Using the same chemical etching method, we also made porous Nb2CTx and V2CTx MXenes. Therefore, this study provides a simple, yet effective, procedure to introduce pores into MXenes and possibly other 2D sheets that in turn, can enhance their electrochemical properties.

  5. MOF-Derived Hollow Co9 S8 Nanoparticles Embedded in Graphitic Carbon Nanocages with Superior Li-Ion Storage.

    PubMed

    Liu, Jun; Wu, Chao; Xiao, Dongdong; Kopold, Peter; Gu, Lin; van Aken, Peter A; Maier, Joachim; Yu, Yan

    2016-05-01

    Novel electrode materials consisting of hollow cobalt sulfide nanoparticles embedded in graphitic carbon nanocages (HCSP⊂GCC) are facilely synthesized by a top-down route applying room-temperature synthesized Co-based zeolitic imidazolate framework (ZIF-67) as the template. Owing to the good mechanical flexibility and pronounced structure stability of carbon nanocages-encapsulated Co9 S8 , the as-obtained HCSP⊂GCC exhibit superior Li-ion storage. Working in the voltage of 1.0-3.0 V, they display a very high energy density (707 Wh kg(-1) ), superior rate capability (reversible capabilities of 536, 489, 438, 393, 345, and 278 mA h g(-1) at 0.2, 0.5, 1, 2, 5, and 10C, respectively), and stable cycling performance (≈26% capacity loss after long 150 cycles at 1C with a capacity retention of 365 mA h g(-1) ). When the work voltage is extended into 0.01-3.0 V, a higher stable capacity of 1600 mA h g(-1) at a current density of 100 mA g(-1) is still achieved.

  6. Ion-Catalyzed Synthesis of Microporous Hard Carbon Embedded with Expanded Nanographite for Enhanced Lithium/Sodium Storage.

    PubMed

    Yu, Zhi-Long; Xin, Sen; You, Ya; Yu, Le; Lin, Yue; Xu, Da-Wei; Qiao, Chan; Huang, Zhi-Hong; Yang, Ning; Yu, Shu-Hong; Goodenough, John B

    2016-11-16

    Hard carbons attract myriad interest as anode materials for high-energy rechargeable batteries due to their low costs and high theoretical capacities; practically, they deliver unsatisfactory performance due to their intrinsically disordered microarchitecture. Here we report a facile ion-catalyzed synthesis of a phenol-formaldehyde resin-based hard-carbon aerogel that takes advantage of the chelation effect of phenol and Fe(3+), which consists of a three-dimensionally interconnected carbon network embedded with hydrogen-rich, ordered microstructures of expanded nanographites and carbon micropores. The chelation effect ensures the homodispersion of Fe in the polymer segments of the precursor, so that an effective catalytic conversion from sp(3) to sp(2) carbon occurs, enabling free rearrangement of graphene sheets into expanded nanographite and carbon micropores. The structural merits of the carbon offer chances to achieve lithium/sodium storage performance far beyond that possible with the conventional carbon anode materials, including graphite and mesocarbon microbeads, along with fast kinetics and long cycle life. In this way, our hard carbon proves its feasibility to serve as an advanced anode material for high-energy rechargeable Li/Na batteries.

  7. Bivalence Mn5O8 with hydroxylated interphase for high-voltage aqueous sodium-ion storage

    DOE PAGES

    Shan, Xiaoqiang; Charles, Daniel S.; Lei, Yinkai; ...

    2016-11-15

    Aqueous electrochemical energy storage devices have attracted significant attention owing to their high safety, low cost, and environmental friendliness. However, their applications have been limited by a narrow potential window (~1.23 V), beyond which the hydrogen and oxygen evolution reactions occur. Here, we report the formation of layered Mn5O8 pseudocapacitor electrode material with a well ordered hydroxylated interphase. A symmetric full cell using such electrodes demonstrates a stable potential window of 3.0 V in an aqueous electrolyte, as well as high energy and power performance, nearly 100% coulombic efficiency and 85% energy efficiency after 25,000 charge-discharge cycles. Furthermore, the interplaymore » between hydroxylated interphase on the surface and the unique bivalence structure of Mn5O8 suppresses the gas evolution reactions, offers a two-electron charge transfer via Mn2+/Mn4+ redox couple, and provides facile pathway for Na-ion transport via intra-/inter-layer defects of Mn5O8.« less

  8. Bivalence Mn5O8 with hydroxylated interphase for high-voltage aqueous sodium-ion storage

    SciTech Connect

    Shan, Xiaoqiang; Charles, Daniel S.; Lei, Yinkai; Qiao, Ruimin; Wang, Guofeng; Yang, Wanli; Feygenson, Mikhail; Su, Dong; Teng, Xiaowei

    2016-11-15

    Aqueous electrochemical energy storage devices have attracted significant attention owing to their high safety, low cost, and environmental friendliness. However, their applications have been limited by a narrow potential window (~1.23 V), beyond which the hydrogen and oxygen evolution reactions occur. Here, we report the formation of layered Mn5O8 pseudocapacitor electrode material with a well ordered hydroxylated interphase. A symmetric full cell using such electrodes demonstrates a stable potential window of 3.0 V in an aqueous electrolyte, as well as high energy and power performance, nearly 100% coulombic efficiency and 85% energy efficiency after 25,000 charge-discharge cycles. Furthermore, the interplay between hydroxylated interphase on the surface and the unique bivalence structure of Mn5O8 suppresses the gas evolution reactions, offers a two-electron charge transfer via Mn2+/Mn4+ redox couple, and provides facile pathway for Na-ion transport via intra-/inter-layer defects of Mn5O8.

  9. Porous Two-Dimensional Transition Metal Carbide (MXene) Flakes for High-Performance Li-Ion Storage

    DOE PAGES

    Ren, Chang E.; Zhao, M-Q; Makaryan, Taron; ...

    2016-02-16

    Herein we develop a chemical etching method to produce porous two-dimensional (2D) Ti3C2Tx MXenes at room temperature in aqueous solutions. The as-produced porous Ti3C2Tx (p-Ti3C2Tx) have larger specific surface areas and more open structures than their pristine counterparts, and can be fabricated into flexible films with, or without, the addition of carbon nanotubes (CNTs). The as-fabricated p-Ti3C2Tx/CNT films showed significantly improved lithium ion storage capabilities compared to pristine Ti3C2Tx based films, with a very high capacity of ≈1250 mAh g-1 at 0.1 C, excellent cycling stability, and good rate performance (330 mAh g-1 at 10 C). Using the same chemicalmore » etching method, we also made porous Nb2CTx and V2CTx MXenes. Therefore, this study provides a simple, yet effective, procedure to introduce pores into MXenes and possibly other 2D sheets that in turn, can enhance their electrochemical properties.« less

  10. Bivalence Mn5O8 with hydroxylated interphase for high-voltage aqueous sodium-ion storage

    NASA Astrophysics Data System (ADS)

    Shan, Xiaoqiang; Charles, Daniel S.; Lei, Yinkai; Qiao, Ruimin; Wang, Guofeng; Yang, Wanli; Feygenson, Mikhail; Su, Dong; Teng, Xiaowei

    2016-11-01

    Aqueous electrochemical energy storage devices have attracted significant attention owing to their high safety, low cost and environmental friendliness. However, their applications have been limited by a narrow potential window (~1.23 V), beyond which the hydrogen and oxygen evolution reactions occur. Here we report the formation of layered Mn5O8 pseudocapacitor electrode material with a well-ordered hydroxylated interphase. A symmetric full cell using such electrodes demonstrates a stable potential window of 3.0 V in an aqueous electrolyte, as well as high energy and power performance, nearly 100% coulombic efficiency and 85% energy efficiency after 25,000 charge-discharge cycles. The interplay between hydroxylated interphase on the surface and the unique bivalence structure of Mn5O8 suppresses the gas evolution reactions, offers a two-electron charge transfer via Mn2+/Mn4+ redox couple, and provides facile pathway for Na-ion transport via intra-/inter-layer defects of Mn5O8.

  11. Bivalence Mn5O8 with hydroxylated interphase for high-voltage aqueous sodium-ion storage

    DOE PAGES

    Shan, Xiaoqiang; Charles, Daniel S.; Lei, Yinkai; ...

    2016-11-15

    Aqueous electrochemical energy storage devices have attracted significant attention owing to their high safety, low cost and environmental friendliness. However, their applications have been limited by a narrow potential window (~1.23 V), beyond which the hydrogen and oxygen evolution reactions occur. Here we report the formation of layered Mn5O8 pseudocapacitor electrode material with a well-ordered hydroxylated interphase. A symmetric full cell using such electrodes demonstrates a stable potential window of 3.0 V in an aqueous electrolyte, as well as high energy and power performance, nearly 100% coulombic efficiency and 85% energy efficiency after 25,000 charge–discharge cycles. Furthermore, the interplay betweenmore » hydroxylated interphase on the surface and the unique bivalence structure of Mn5O8 suppresses the gas evolution reactions, offers a two-electron charge transfer via Mn2+/Mn4+ redox couple, and provides facile pathway for Na-ion transport via intra-/inter-layer defects of Mn5O8.« less

  12. Freeze-drying for sustainable synthesis of nitrogen doped porous carbon cryogel with enhanced supercapacitor and lithium ion storage performance

    NASA Astrophysics Data System (ADS)

    Ling, Zheng; Yu, Chang; Fan, Xiaoming; Liu, Shaohong; Yang, Juan; Zhang, Mengdi; Wang, Gang; Xiao, Nan; Qiu, Jieshan

    2015-09-01

    A chitosan (CS) based nitrogen doped carbon cryogel with a high specific surface area (SSA) has been directly synthesized via a combined process of freeze-drying and high-temperature carbonization without adding any activation agents. The as-made carbon cryogel demonstrates an SSA up to 1025 m2 g-1 and a high nitrogen content of 5.98 wt%, while its counterpart derived from CS powder only shows an SSA of 26 m2 g-1. Freeze-drying is a determining factor for the formation of carbon cryogel with a high SSA, where the CS powder with a size of ca. 200 μm is transformed into the sheet-shaped cryogel with a thickness of 5-8 μm. The as-made carbon cryogel keeps the sheet-shaped structure and the abundant pores are formed in situ and decorated inside the sheets during carbonization. The carbon cryogel shows significantly enhanced performance as supercapacitor and lithium ion battery electrodes in terms of capacity and rate capability due to its quasi two-dimensional (2D) structure with reduced thickness. The proposed method may provide a simple approach to configure 2D biomass-derived advanced carbon materials for energy storage devices.

  13. Citrus-Peel-Derived, Nanoporous Carbon Nanosheets Containing Redox-Active Heteroatoms for Sodium-Ion Storage.

    PubMed

    Kim, Na Rae; Yun, Young Soo; Song, Min Yeong; Hong, Sung Ju; Kang, Minjee; Leal, Cecilia; Park, Yung Woo; Jin, Hyoung-Joon

    2016-02-10

    Advanced design of nanostructured functional carbon materials for use in sustainable energy storage systems suffers from complex fabrication procedures and the use of special methods and/or expensive precursors, limiting their practical applications. In this study, nanoporous carbon nanosheets (NP-CNSs) containing numerous redox-active heteroatoms (C/O and C/N ratios of 5.5 and 34.3, respectively) were fabricated from citrus peels by simply heating the peels in the presence of potassium ions. The NP-CNSs had a 2D-like morphology with a high aspect ratio of >100, high specific surface area of 1167 m(2) g(-1), and a large amount of nanopores between 1 and 5 nm. The NP-CNSs also had an electrical conductivity of 2.6 × 10(1) s cm(-1), which is approximately 50 times higher than that of reduced graphene oxide. These unique material properties resulted in superior electrochemical performance with a high specific capacity of 140 mAh g(-1) in the cathodic potential range. In addition, symmetric full-cell devices based on the NP-CNSs showed excellent cyclic performance over 100,000 repetitive cycles.

  14. Development of high-energy silicon-based anode materials for lithium-ion storage

    NASA Astrophysics Data System (ADS)

    Yi, Ran

    The emerging markets of electric vehicles (EV) and hybrid electric vehicles (HEV) generate a tremendous demand for low-cost lithium-ion batteries (LIBs) with high energy and power densities, and long cycling life. The development of such LIBs requires development of low cost, high-energy-density cathode and anode materials. Conventional anode materials in commercial LIBs are primarily synthetic graphite-based materials with a capacity of ˜370 mAh/g. Improvements in anode performance, particularly in anode capacity, are essential to achieving high energy densities in LIBs for EV and HEV applications. This dissertation focuses on development of micro-sized silicon-carbon (Si-C) composites as anode materials for high energy and power densities LIBs. First, a new, low-cost, large-scale approach was developed to prepare a micro-sized Si-C composite with excellent performance as an anode material for LIBs. The composite shows a reversible capacity of 1459 mAh/g after 200 cycles at 1 A/g (97.8% capacity retention) and excellent high rate performance of 700 mAh/g at 12.8 A/g, and also has a high tap density of 0.78 g/cm3. The structure of the composite, micro-sized as a whole, features the interconnected nanoscale size of the Si building blocks and the uniform carbon filling, which enables the maximum utilization of silicon even when the micro-sized particles break into small pieces upon cycling. To understand the effects of key parameters in designing the micro-sized Si-C composites on their electrochemical performance and explore how to optimize them, the influence of Si nanoscale building block size and carbon coating on the electrochemical performance of the micro-sized Si-C composites were investigated. It has been found that the critical Si building block size is 15 nm, which enables a high capacity without compromising the cycling stability, and that carbon coating at higher temperature improves the 1st cycle coulombic efficiency (CE) and the rate capability

  15. Structural characterization of product ions by electrospray ionization and quadrupole time-of-flight mass spectrometry to support regulatory analysis of veterinary drug residues in foods Part 2: Benzimidazoles nitromidaz.....

    Technology Transfer Automated Retrieval System (TEKTRAN)

    RATIONALE: Analysis for identification and quantification of regulated veterinary drug residues in foods are usually achieved by liquid chromatography coupled to tandem mass spectrometry. The instrument method requires the selection of characteristic ions, but structure elucidation is seldom perform...

  16. Trapping Mode Dipolar DC Collisional Activation in the RF-Only Ion Guide of a Linear Ion Trap/Time-of-Flight Instrument for Gaseous Bio-Ion Declustering

    PubMed Central

    Webb, Ian K.; Gao, Yang; Londry, Frank A.; McLuckey, Scott A.

    2013-01-01

    The application of dipolar DC (DDC) to the RF-only ion guide (Q0) of a hybrid quadrupole/time-of-flight (QqTOF) mass spectrometer for collision-induced declustering of large bio-ions is described. As a broadband technique, ion trap DDC collision activation (CA) is employed to decluster ions simultaneously over a relatively broad mass-to-charge range. Declustering DDC CA can yield significantly narrower peaks relative to those observed in the absence of declustering methods, depending upon the extent of non-covalent adduction associated with the ions, and can also be used in conjunction with other methods, such as nozzle-skimmer collisional activation. The key experimental variables in the DDC experiment are the dipolar DC voltage (VDDC), VRF, and the time over which VDDC is applied. The VDDC/VRF ratio is key to the extent to which ion temperatures are elevated and also influences the upper mass-to-charge limit for ion storage. The VDDC/VRF ratio affects ion temperatures and upper m/z limit in opposing directions. That is, as the ratio increases, ion temperature increases whereas the upper m/z storage limit decreases. However, for a given VDDC/VRF ratio, the upper m/z storage limit can be increased by increasing VRF, at the expense of the lower m/z limit for ion storage. The key value of the approach is that it affords a relatively precise degree of control over ion temperatures as well as the time over which they are elevated to the higher temperature. The utility of the method is illustrated by the application of ion trap DDC CA in Q0 to oligonucleotide, protein, and multimeric protein complex analyte ions. PMID:24078247

  17. Dental erosion and sulfuric ion exposure levels in individuals working with sulfuric acid in lead storage battery manufacturing plant measured with mouth-rinse index.

    PubMed

    Suyama, Yuji; Takaku, Satoru; Okawa, Yoshikazu; Matsukubo, Takashi

    2010-01-01

    To investigate dental erosion in employees working with sulfuric acid at a lead storage battery manufacturing plant and level of personal exposure to sulfuric ions, we measured sulfuric ion concentrations in the mouth rinse of those employees. We also measured exposure levels from air samples obtained from 2 employees from the same plant who did not work with sulfuric acid using a portable air sampler. At the same time, we collected and compared their mouth rinses with those from other employees. More specifically, we measured and compared sulfuric ion, calcium, and magnesium concentrations, along with pH levels from the mouth rinse of these two groups. Positive correlations were found between sulfuric ion and calcium concentrations (r=0.61, p<0.005), calcium and magnesium concentrations (r=0.61, p<0.005), Ca/Mg and calcium concentrations (r=0.64, p<0.005), and sulfuric ion and magnesium concentrations (r=0.55, p<0.005). Negative correlations were found between sulfuric ion concentrations and pH levels (r=-0.31, p<0.01), and magnesium concentrations and pH levels (r=-0.32, p<0.01). This suggests that mouth rinse from employees working with sulfuric acid could function as an indicator of sulfuric ion concentration in the work environment. Furthermore, this could lead to the development of a more accurate indicator of individual exposure.

  18. Resonance ionization of rubidium in an ion trap mass spectrometer

    SciTech Connect

    Whitten, W.B.; Ramsey, J.M.; Goeringer, D.E.; Buckley, B.T.

    1990-01-01

    We have recently initiated a study of resonance ionization processes in a quadrupole ion storage trap. The trap is a commercially available Ion Trap Detector that uses the voltage dependence of ion mass instability to obtain a mass spectrum of the trapped ions. We have modified the trap to permit laser excitation of atomic and molecular species within the quadrupole electrodes. Mass resolved resonance ionization spectra have been obtained for NO and Rb, described below. Rb was selected for this study for a number of reasons. We want to explore the potential of the ion trap for high resolution (Doppler free) resonance ionization spectroscopy with CW laser excitation. Rb can be excited to upper Rydberg levels with a series of transitions that can be induced with commercially available semiconductor diode lasers. In addition, levels in the same energy range can be reached through two-photon processes with visible wavelength tunable dye lasers or with single-photon processes after the laser is frequency doubled. The upper Rydberg levels can be ionized by photons, electric field, or collisions. Collisional ionization of a reservoir of Rydberg atoms may be a sensitive scheme for detecting electronegative species. RB has two stable isotopes with nonzero nuclear spin so that isotopic and hyperfine splittings can be used to assess the spectral resolution that is attained.

  19. Carbon- and Binder-Free NiCo2O4 Nanoneedle Array Electrode for Sodium-Ion Batteries: Electrochemical Performance and Insight into Sodium Storage Reaction.

    PubMed

    Lee, Jong-Won; Shin, Hyun-Sup; Lee, Chan-Woo; Jung, Kyu-Nam

    2016-12-01

    Sodium (Na)-ion batteries (NIBs) have attracted significant interest as an alternative chemistry to lithium (Li)-ion batteries for large-scale stationary energy storage systems. Discovering high-performance anode materials is a great challenge for the commercial success of NIB technology. Transition metal oxides with tailored nanoarchitectures have been considered as promising anodes for NIBs due to their high capacity. Here, we demonstrate the fabrication of a nanostructured oxide-only electrode, i.e., carbon- and binder-free NiCo2O4 nanoneedle array (NCO-NNA), and its feasibility as an anode for NIBs. Furthermore, we provide an in-depth experimental study of the Na storage reaction (sodiation and desodiation) in NCO-NNA. The NCO-NNA electrode is fabricated on a conducting substrate by a hydrothermal method with subsequent heat treatment. When tested in an electrochemical Na half-cell, the NCO-NNA electrode exhibits excellent Na storage capability: a charge capacity as high as 400 mAh g(-1) is achieved at a current density of 50 mA g(-1). It also shows a greatly improved cycle life (~215 mAh g(-1) after 50 cycles) in comparison to a conventional powder-type electrode (~30 mAh g(-1)). However, the Na storage performance is still inferior to that of Li, which is mainly due to sluggish kinetics of sodiation-desodiation accompanied by severe volume change.

  20. Carbon- and Binder-Free NiCo2O4 Nanoneedle Array Electrode for Sodium-Ion Batteries: Electrochemical Performance and Insight into Sodium Storage Reaction

    NASA Astrophysics Data System (ADS)

    Lee, Jong-Won; Shin, Hyun-Sup; Lee, Chan-Woo; Jung, Kyu-Nam

    2016-02-01

    Sodium (Na)-ion batteries (NIBs) have attracted significant interest as an alternative chemistry to lithium (Li)-ion batteries for large-scale stationary energy storage systems. Discovering high-performance anode materials is a great challenge for the commercial success of NIB technology. Transition metal oxides with tailored nanoarchitectures have been considered as promising anodes for NIBs due to their high capacity. Here, we demonstrate the fabrication of a nanostructured oxide-only electrode, i.e., carbon- and binder-free NiCo2O4 nanoneedle array (NCO-NNA), and its feasibility as an anode for NIBs. Furthermore, we provide an in-depth experimental study of the Na storage reaction (sodiation and desodiation) in NCO-NNA. The NCO-NNA electrode is fabricated on a conducting substrate by a hydrothermal method with subsequent heat treatment. When tested in an electrochemical Na half-cell, the NCO-NNA electrode exhibits excellent Na storage capability: a charge capacity as high as 400 mAh g-1 is achieved at a current density of 50 mA g-1. It also shows a greatly improved cycle life (~215 mAh g-1 after 50 cycles) in comparison to a conventional powder-type electrode (~30 mAh g-1). However, the Na storage performance is still inferior to that of Li, which is mainly due to sluggish kinetics of sodiation-desodiation accompanied by severe volume change.

  1. Designing nitrogen-enriched echinus-like carbon capsules for highly efficient oxygen reduction reaction and lithium ion storage

    NASA Astrophysics Data System (ADS)

    Hu, Chuangang; Wang, Lixia; Zhao, Yang; Ye, Minhui; Chen, Qing; Feng, Zhihai; Qu, Liangti

    2014-06-01

    Both structural and compositional modulations are important for high-performance electrode materials in energy conversion/storage devices. Here hierarchical-structure nitrogen-rich hybrid porous carbon capsules with bamboo-like carbon nanotube whiskers (N-CC@CNTs) grown in situ have been specifically designed, which combine the advantageous features of high surface area, abundant active sites, easy access to medium and favorable mass transport. As a result, the newly prepared N-CC@CNTs show highly efficient catalytic activity in oxygen reduction reaction in alkaline media for fuel cells, which not only outperforms commercial Pt-based catalysts in terms of kinetic limiting current, stability and tolerance to methanol crossover effect, but is also better than most of the nanostructured carbon-based catalysts reported previously. On the other hand, as an anode material for lithium ion batteries, the N-CC@CNTs obtained also exhibit an excellent reversible capacity of ca. 1337 mA h g-1 at 0.5 A g-1, outstanding rate capability and long cycling stability, even at a current density of 20 A g-1. The capacity is the highest among all the heteroatom-doped carbon materials reported so far, and is even higher than that of many of the composites of metal, metal oxides or metal sulfides with carbon materials.Both structural and compositional modulations are important for high-performance electrode materials in energy conversion/storage devices. Here hierarchical-structure nitrogen-rich hybrid porous carbon capsules with bamboo-like carbon nanotube whiskers (N-CC@CNTs) grown in situ have been specifically designed, which combine the advantageous features of high surface area, abundant active sites, easy access to medium and favorable mass transport. As a result, the newly prepared N-CC@CNTs show highly efficient catalytic activity in oxygen reduction reaction in alkaline media for fuel cells, which not only outperforms commercial Pt-based catalysts in terms of kinetic limiting

  2. Phase-Controlled Iron Oxide Nanobox Deposited on Hierarchically Structured Graphene Networks for Lithium Ion Storage and Photocatalysis

    PubMed Central

    Yun, Sol; Lee, Young-Chul; Park, Ho Seok

    2016-01-01

    The phase control, hierarchical architecturing and hybridization of iron oxide is important for achieving multifunctional capability for many practical applications. Herein, hierarchically structured reduced graphene oxide (hrGO)/α-Fe2O3 and γ-Fe3O4 nanobox hybrids (hrGO/α-Fe and hrGO/γ-Fe NBhs) are synthesized via a one-pot, hydrothermal process and their functionality controlled by the crystalline phases is adapted for energy storage and photocatalysis. The three-dimensionally (3D) macroporous structure of hrGO/α-Fe NBhs is constructed, while α-Fe2O3 nanoboxes (NBs) in a proximate contact with the hrGO surface are simultaneously grown during a hydrothermal treatment. The discrete α-Fe2O3 NBs are uniformly distributed on the surface of the hrGO/α-Fe and confined in the 3D architecture, thereby inhibiting the restacking of rGO. After the subsequent phase transition into γ-Fe3O4, the hierarchical structure and the uniform distribution of NBs are preserved. Despite lower initial capacity, the hrGO/α-Fe NBhs show better rate and cyclic performances than those of commercial rGO/α-Fe due to the uniform distribution of discrete α-Fe2O3 NBs and electronic conductivity, macroporosity, and buffering effect of the hrGO for lithium ion battery anodes. Moreover, the catalytic activity and kinetics of hrGO/γ-Fe NBhs are enhanced for photo-Fenton reaction because of the uniform distribution of discrete γ-Fe3O4 NBs on the 3D hierarchical architecture. PMID:26821937

  3. Clusterization and quadrupole deformation in nuclei

    SciTech Connect

    Cseh, J.; Algora, A.; Antonenko, N. V.; Jolos, R. V.; Scheid, W.; Darai, J.; Hess, P. O.

    2006-04-26

    We study the interrelation of the clusterization and quadrupole deformation of atomic nuclei, by applying cluster models. Both the energetic stability and the exclusion principle is investigated. Special attention is paid to the relative orientations of deformed clusters.

  4. Nonuniform radiation damage in permanent magnet quadrupoles

    SciTech Connect

    Danly, C. R.; Merrill, F. E.; Barlow, D.; Mariam, F. G.

    2014-08-15

    We present data that indicate nonuniform magnetization loss due to radiation damage in neodymium-iron-boron Halbach-style permanent magnet quadrupoles. The proton radiography (pRad) facility at Los Alamos uses permanent-magnet quadrupoles for magnifying lenses, and a system recently commissioned at GSI-Darmsdadt uses permanent magnets for its primary lenses. Large fluences of spallation neutrons can be produced in close proximity to these magnets when the proton beam is, intentionally or unintentionally, directed into the tungsten beam collimators; imaging experiments at LANL’s pRad have shown image degradation with these magnetic lenses at proton beam doses lower than those expected to cause damage through radiation-induced reduction of the quadrupole strength alone. We have observed preferential degradation in portions of the permanent magnet quadrupole where the field intensity is highest, resulting in increased high-order multipole components.

  5. Detection, identification, and occurrence of thiotetronic acids in drinking water from underground sources by electrospray ionization-high field asymmetric waveform ion mobility spectrometry-quadrupole time-of-flight-mass spectrometry.

    PubMed

    Lyczko, Jadwiga; Beach, Daniel; Gabryelski, Wojciech

    2015-10-06

    This paper demonstrates that electrospray ionization (ESI) with differential ion mobility spectroscopy (FAIMS) and "soft" mass spectrometry (MS) provide unique analytical capabilities that led to the discovery of sulfur-containing polar congeners of thiotetronic acid (TA) in drinking water from underground sources in Canada and the United States. Polar TAs accumulate in underground aquifers and appear to be the most abundant class of organic compounds in bottled water but cannot be detected by conventional mass spectrometry methods. We show that normally stable TAs are converted into very reactive ions in ESI which have to be analyzed using special conditions in ESI-FAIMS-MS to avoid extensive dissociation and ion/molecule reactions. De novo identification of 10 TAs was accomplished by the comparative tandem mass spectrometry analysis of authentic TA derivatives from groundwater samples and synthetic TA analogues prepared for this study. We present highlights of gas phase ion chemistry of polar TAs to explain their unique properties and reactivity. TA derivatives were originally isolated from soil bacteria and are of interest in the pharmaceutical industry due to their potent activity against a broad spectrum of pathogenic bacteria and negligible toxicity to mammals. We suspect that TAs are natural disinfection agents protecting groundwater from bacterial contamination, but these compound undergo modifications or decompose during an ozonation water treatment.

  6. Integrally formed radio frequency quadrupole

    DOEpatents

    Abbott, Steven R.

    1989-01-01

    An improved radio frequency quadrupole (10) is provided having an elongate housing (11) with an elongate central axis (12) and top, bottom and two side walls (13a-d) symmetrically disposed about the axis, and vanes (14a-d) formed integrally with the walls (13a-d), the vanes (14a-d) each having a cross-section at right angles to the central axis (12) which tapers inwardly toward the axis to form electrode tips (15a-d) spaced from each other by predetermined distances. Each of the four walls (13a-d), and the vanes (14a-d) integral therewith, is a separate structural element having a central lengthwise plane (16) passing through the tip of the vane, the walls (13a-d) having flat mounting surfaces (17, 18) at right angles to and parallel to the control plane (16), respectively, which are butted together to position the walls and vane tips relative to each other.

  7. Permanent magnet edge-field quadrupole

    DOEpatents

    Tatchyn, Roman O.

    1997-01-01

    Planar permanent magnet edge-field quadrupoles for use in particle accelerating machines and in insertion devices designed to generate spontaneous or coherent radiation from moving charged particles are disclosed. The invention comprises four magnetized rectangular pieces of permanent magnet material with substantially similar dimensions arranged into two planar arrays situated to generate a field with a substantially dominant quadrupole component in regions close to the device axis.

  8. Permanent magnet edge-field quadrupole

    DOEpatents

    Tatchyn, R.O.

    1997-01-21

    Planar permanent magnet edge-field quadrupoles for use in particle accelerating machines and in insertion devices designed to generate spontaneous or coherent radiation from moving charged particles are disclosed. The invention comprises four magnetized rectangular pieces of permanent magnet material with substantially similar dimensions arranged into two planar arrays situated to generate a field with a substantially dominant quadrupole component in regions close to the device axis. 10 figs.

  9. Li-Ion Battery with LiFePO4 Cathode and Li4Ti5O12 Anode for Stationary Energy Storage

    SciTech Connect

    Wang, Wei; Choi, Daiwon; Yang, Zhenguo

    2013-01-01

    i-ion batteries based on commercially available LiFePO4 cathode and Li4Ti5O12 anode were investigated for potential stationary energy storage applications. The full cell that operated at flat 1.85V demonstrated stable cycling for 200 cycles followed by a rapid fade. A significant improvement in cycling stability was achieved via Ketjen black coating of the cathode. A Li-ion full cell with Ketjen black modified LiFePO4 cathode and an unmodified Li4Ti5O12 anode exhibited negligible fade after more than 1200 cycles with a capacity of ~130mAh/g. The improved stability, along with its cost-effectiveness, environmentally benignity and safety, make the LiFePO4/ Li4Ti5O12 Li-ion battery a promising option of storing renewable energy.

  10. Degree of accuracy in determining the nuclear electric quadrupole moment of radium

    SciTech Connect

    Bieron, Jacek; Pyykkoe, Pekka

    2005-03-01

    The multiconfiguration Dirac-Hartree-Fock (MCDHF) model has been employed to calculate the atomic expectation values responsible for the hyperfine splittings of the 7s7p {sup 3}P{sub 1,2} and {sup 1}P{sub 1} levels of radium. Calculated electric field gradients, together with the experimental electric quadrupole hyperfine structure constants, allow us to extract a nuclear electric quadrupole moment Q({sup 223}Ra) of 1.21(0.03) barn. This value is in good agreement with the semiempirical determination based on neutral radium hyperfine and fine structure, but differs from the latest result from an alkali-like radium ion.

  11. An effect of nuclear electric quadrupole moments in thermonuclear fusion plasmas

    NASA Technical Reports Server (NTRS)

    De, B. R.; Srnka, L. J.

    1978-01-01

    Consideration of the nuclear electric quadrupole terms in the expression for the fusion Coulomb barrier suggests that this electrostatic barrier may be substantially modified from that calculated under the usual plasma assumption that the nuclei are electric monopoles. This effect is a result of the nonspherical potential shape and the spatial quantization of the nuclear spins of the fully stripped ions in the presence of a magnetic field. For monopole-quadrupole fuel cycles like p-B-11, the fusion cross-section may be substantially increased at low energies if the protons are injected at a small angle relative to the confining magnetic field.

  12. Pseudocapacitive Sodium Storage in Mesoporous Single-Crystal-like TiO2-Graphene Nanocomposite Enables High-Performance Sodium-Ion Capacitors.

    PubMed

    Le, Zaiyuan; Liu, Fang; Nie, Ping; Li, Xinru; Liu, Xiaoyan; Bian, Zhenfeng; Chen, Gen; Wu, Hao Bin; Lu, Yunfeng

    2017-03-28

    Sodium-ion capacitors can potentially combine the virtues of high power capability of conventional electrochemical capacitors and high energy density of batteries. However, the lack of high-performance electrode materials has been the major challenge of sodium-based energy storage devices. In this work, we report a microwave-assisted synthesis of single-crystal-like anatase TiO2 mesocages anchored on graphene as a sodium storage material. The architecture of the nanocomposite results in pseudocapacitive charge storage behavior with fast kinetics, high reversibility, and negligible degradation to the micro/nanostructure. The nanocomposite delivers a high capacity of 268 mAh g(-1) at 0.2 C, which remains 126 mAh g(-1) at 10 C for over 18 000 cycles. Coupling with a carbon-based cathode, a full cell of sodium-ion capacitor successfully demonstrates a high energy density of 64.2 Wh kg(-1) at 56.3 W kg(-1) and 25.8 Wh kg(-1) at 1357 W kg(-1), as well as an ultralong lifespan of 10 000 cycles with over 90% of capacity retention.

  13. Inductively coupled plasma mass spectrometer with axial field in a quadrupole reaction cell.

    PubMed

    Bandura, Dmitry R; Baranov, Vladimir I; Tanner, Scott D

    2002-10-01

    A novel reaction cell for ICP-MS with an electric field provided inside the quadrupole along its axis is described. The field is implemented via a DC bias applied to additional auxiliary electrodes inserted between the rods of the quadrupole. The field reduces the settling time of the pressurized quadrupole when its mass bandpass is dynamically tuned. It also improves the transmission of analyte ions. It is shown that for the pressurized cell with the field activated, the recovery time for a change in quadrupole operating parameters is reduced to <4 ms, which allows fast tuning of the mass bandpass in concert with and at the speed of the analyzing quadrupole. When the cell is operated with ammonia, the field reduces ion-ammonia cluster formation, further enhancing the transmission of atomic ions that have a high cluster formation rate. Ni x (NH3)n+ cluster formation in a cell operated with a wide bandpass (i.e., Ni+ precursors are stable in the cell) is shown to be dependent on the axial field strength. Clusters at n = 2-4 can be suppressed by 9, 1200, and >610 times, respectively. The use of a retarding axial field for in-situ energy discrimination against cluster and polyatomic ions is shown. When the cell is pressurized with O2 for suppression of 129Xe+, the formation of 127IH2+ by reactions with gas impurities limits the detection of 129I to isotopic abundance of approximately 10(-6). In-cell energy discrimination against 127IH2+ utilizing a retarding axial field is shown to reduce the abundance of the background at m/z = 129 to ca. 3 x 10(-8) of the 127I+ signal. In-cell energy discrimination against 127IH2+ is shown to cause less I+ loss than a post-cell potential energy barrier for the same degree of 127IH2+ suppression.

  14. Quadrupole-bound anions: efficacy of positive versus negative quadrupole moments.

    PubMed

    Garrett, W R

    2012-02-07

    A pseudopotential method is utilized to study the critical stability of model anions formed by long-range quadrupolar molecular potentials. Results indicate that critical quadrupole moments of simple point-charge triads do not serve well as predictors of real quadrupole-bound anions of systems with negative moments.

  15. Li-ion storage dynamics in metastable nanostructured Li2FeSiO4 cathode: Antisite-induced phase transition and lattice oxygen participation

    NASA Astrophysics Data System (ADS)

    Lu, Xia; Chiu, Hsien-Chieh; Arthur, Zachary; Zhou, Jigang; Wang, Jian; Chen, Ning; Jiang, De-Tong; Zaghib, Karim; Demopoulos, George P.

    2016-10-01

    Li2FeSiO4 (LFS) has drawn much attention as cathode for high capacity Li-ion batteries. Even though significant volume of study has been devoted to its crystal chemistry and electrochemistry, many questions relating to its Li-ion storage dynamics remain yet to be fully elucidated. In this context, synchrotron-based X-ray diffraction and absorption spectroscopies are employed to characterize the phase stability and charge compensation mechanism in a metastable Li2FeSiO4 nanostructured cathode as a function of state-of-charge (Li2-xFeSiO4, x = 0, 0.25, 0.50, 0.75, 1.0) and cycling at very low current. The results demonstrate (i) no detectable phase transition from monoclinic to orthorhombic phase during the first charge-discharge cycle but rather formation of antisite defects that progressively induce phase transformation after several electrochemical cycles; (ii) characteristics of solid solution Li-ion storage (Li2-xFeSiO4, x = 0-1); and (iii) the charge compensation for the first Li extraction does not come solely from the ferrous to ferric conversion, but interestingly from prominent participation of lattice oxygen as well that appears to destabilize the cycled LFS structure with significant performance implications.

  16. Novel LC-ESI/MS/MS(n) method for the characterization and quantification of 2'-deoxyguanosine adducts of the dietary carcinogen 2-amino-1-methyl-6-phenylimidazo[4,5-b]pyridine by 2-D linear quadrupole ion trap mass spectrometry.

    PubMed

    Goodenough, Angela K; Schut, Herman A J; Turesky, Robert J

    2007-02-01

    An accurate and sensitive liquid chromatography-electrospray ionization/multi-stage mass spectrometry (LC-ESI/MS/MS(n)) technique has been developed for the characterization and quantification of 2'-deoxyguanosine (dG) adducts of the dietary mutagen, 2-amino-1-methyl-6-phenylimidazo[4,5-b]pyridine (PhIP). PhIP is an animal and potential human carcinogen that occurs in grilled meats. Following enzymatic digestion and adduct enrichment by solid-phase extraction (SPE), PhIP-DNA adducts were analyzed by MS/MS and MS(n) scan modes on a 2-D linear quadrupole ion trap mass spectrometer (QIT/MS). The major DNA adduct, N-(deoxyguanosin-8-yl)-2-amino-1-methyl-6-phenylimidazo[4,5-b]pyridine (dG-C8-PhIP), was detected in calf thymus (CT) DNA modified in vitro with a bioactivated form of PhIP and in the colon and liver of rats given PhIP as part of the diet. The lower limit of detection (LOD) was 1 adduct per 10(8) DNA bases, and the limit of quantification (LOQ) was 3 adducts per 10(8) DNA bases in both MS/MS and MS(3) scan modes, using 27 microg of DNA for analysis. Measurements were based on isotope dilution with the internal standard, N-(deoxyguanosin-8-yl)-2-amino-1-(trideutero)methyl-6-phenylimidazo[4,5-b]pyridine (dG-C8-[2H3C]-PhIP). The selected reaction monitoring (SRM) scan mode in MS/MS was employed to monitor the loss of deoxyribose (dR) from the protonated molecules of the adducts ([M + H - 116]+). The consecutive reaction monitoring (CRM) scan modes in MS(3) and MS(4) were used to measure and further characterize product ions of the aglycone ion (BH2+) (Guanyl-PhIP). The MS(3) scan mode was effective in eliminating isobaric interferences observed in the MS/MS scan mode and resulted in an improved signal-to-noise (S/N) ratio. Moreover, the product ion spectra obtained by the MS(n) scan modes provided rich structural information about the adduct and were used to corroborate the identity of dG-C8-PhIP. In addition, an isomeric dG-PhIP adduct was detected in vivo

  17. Global coupling and decoupling of the APS storage ring

    SciTech Connect

    Chae, Y.C.; Liu, J.; Teng, L.C.

    1993-07-01

    This paper describes a study of controlling the coupling between the horizontal and the vertical betatron oscillations in the 7-GeV Advanced Photon Source (APS) storage ring. First, we investigate the strengthening of coupling using two families of skew quadrupoles. Twenty skew quadrupoles are arranged in the 40 sectors of the storage ring and powered in such a way so as to generate both quadrature components of the required 21st harmonic. The numerical results from tracking a single particle are presented for the various configurations of skew quadrupoles. Second, we describe the global decoupling procedure to minimize the unwanted coupling effects. These are mainly due to the random roll errors of normal quadruples. It is shown that even with the rather large rms roll error of 2 mrad, the coupling effects can be compensated for with 20 skew quadrupoles each having maximum strength one order of magnitude lower than the typical normal quadrupole strength.

  18. Induced CMB quadrupole from pointing offsets

    SciTech Connect

    Moss, Adam; Scott, Douglas; Sigurdson, Kris E-mail: dscott@phas.ubc.ca

    2011-01-01

    Recent claims in the literature have suggested that the WMAP quadrupole is not primordial in origin, and arises from an aliasing of the much larger dipole field because of incorrect satellite pointing. We attempt to reproduce this result and delineate the key physics leading to the effect. We find that, even if real, the induced quadrupole would be smaller than the WMAP value. We discuss reasons why the WMAP data are unlikely to suffer from this particular systematic effect, including the implications for observations of point sources. Given this evidence against the reality of the effect, the similarity between the pointing-offset-induced signal and the actual quadrupole then appears to be quite puzzling. However, we find that the effect arises from a convolution between the gradient of the dipole field and anisotropic coverage of the scan direction at each pixel. There is something of a directional conspiracy here — the dipole signal lies close to the Ecliptic Plane, and its direction, together with the WMAP scan strategy, results in a strong coupling to the Y{sub 2,−1} component in Ecliptic co-ordinates. The dominant strength of this component in the measured quadrupole suggests that one should exercise increased caution in interpreting its estimated amplitude. The Planck satellite has a different scan strategy which does not so directly couple the dipole and quadrupole in this way and will soon provide an independent measurement.

  19. Energy Storage Materials from Nature through Nanotechnology: A Sustainable Route from Reed Plants to a Silicon Anode for Lithium-Ion Batteries.

    PubMed

    Liu, Jun; Kopold, Peter; van Aken, Peter A; Maier, Joachim; Yu, Yan

    2015-08-10

    Silicon is an attractive anode material in energy storage devices, as it has a ten times higher theoretical capacity than its state-of-art carbonaceous counterpart. However, the common process to synthesize silicon nanostructured electrodes is complex, costly, and energy-intensive. Three-dimensional (3D) porous silicon-based anode materials have been fabricated from natural reed leaves by calcination and magnesiothermic reduction. This sustainable and highly abundant silica source allows for facile production of 3D porous silicon with very good electrochemical performance. The obtained silicon anode retains the 3D hierarchical architecture of the reed leaf. Impurity leaching and gas release during the fabrication process leads to an interconnected porosity and the reductive treatment to an inside carbon coating. Such anodes show a remarkable Li-ion storage performance: even after 4000 cycles and at a rate of 10 C, a specific capacity of 420 mA h g(-1) is achieved.

  20. Simultaneous quantification of poly-dispersed anionic, amphoteric and nonionic surfactants in simulated wastewater samples using C18 high-performance liquid chromatography-quadrupole ion-trap mass spectrometry.

    PubMed

    Levine, Lanfang H; Garland, Jay L; Johnson, Jodie V

    2005-01-14

    This paper describes the development of a guantitative method for direct and simultaneous determination of three frequently encountered surfactants, amphoteric (cocoamphoacetate, CAA), anionic (sodium laureth sulfate, SLES), and nonionic (alcohol ethoxylate, AE) using a reversed-phase C18 HPLC coupled with an ESI ion-trap mass spectrometer (MS). Chemical composition, ionization characteristics and fragmentation pathways of the surfactants are presented. Positive ESI was effective for all three surfactants in agueous methanol buffered with ammonium acetate. The method enables rapid determinations in small sample volumes containing inorganic salts (up to 3.5 g L(-1)) and multiple classes of surfactants with high specificity by applying surfactant specific tandem mass spectrometric strategies. It has dynamic linear ranges of 2-60, 1.5-40, 0.8-56 mg L(-1) with R2 egual or greater than 0.999, 0.98 and 0.999 (10 microL injection) for CAA, SLES, and AE, respectively.

  1. Simultaneous quantification of poly-dispersed anionic, amphoteric and nonionic surfactants in simulated wastewater samples using C18 high-performance liquid chromatography-quadrupole ion-trap mass spectrometry

    NASA Technical Reports Server (NTRS)

    Levine, Lanfang H.; Garland, Jay L.; Johnson, Jodie V.

    2005-01-01

    This paper describes the development of a guantitative method for direct and simultaneous determination of three frequently encountered surfactants, amphoteric (cocoamphoacetate, CAA), anionic (sodium laureth sulfate, SLES), and nonionic (alcohol ethoxylate, AE) using a reversed-phase C18 HPLC coupled with an ESI ion-trap mass spectrometer (MS). Chemical composition, ionization characteristics and fragmentation pathways of the surfactants are presented. Positive ESI was effective for all three surfactants in agueous methanol buffered with ammonium acetate. The method enables rapid determinations in small sample volumes containing inorganic salts (up to 3.5 g L(-1)) and multiple classes of surfactants with high specificity by applying surfactant specific tandem mass spectrometric strategies. It has dynamic linear ranges of 2-60, 1.5-40, 0.8-56 mg L(-1) with R2 egual or greater than 0.999, 0.98 and 0.999 (10 microL injection) for CAA, SLES, and AE, respectively.

  2. Rapid flame synthesis of internal Mo6+ doped TiO2 nanocrystals in situ decorated with highly dispersed MoO3 clusters for lithium ion storage

    NASA Astrophysics Data System (ADS)

    Li, Yunfeng; Hu, Yanjie; Shen, Jianhua; Jiang, Haibo; Min, Guoquan; Qiu, Shengjie; Song, Zhitang; Sun, Zhuo; Li, Chunzhong

    2015-11-01

    The rational design of nanoheterostructured materials has attracted much attention because of its importance for developing highly efficient LIBs. Herein, we have demonstrated that internal Mo6+ doped TiO2 nanocrystals in situ decorated with highly dispersed MoO3 clusters have been realized by a facile and rapid flame spray pyrolysis route for electrochemical energy storage. In such intriguing nanostructures, internal Mo6+ doping can improve the conductivity of electrode materials and facilitate rapid Li+ intercalation and ion transport and the heteroassembly of highly dispersed ultrafine MoO3 clusters with excellent electrochemical activity endows the TiO2 with extra Li+ ion storage ability as well as incorporates Mo6+. Thus, the as-prepared nanohybrid electrodes exhibit a high specific capacity and superior rate capability due to the maximum synergetic effect of TiO2, Mo6+ and ultrafine MoO3 clusters. Moreover, the aerosol flame process with a unique temperature gradient opens a new strategy to design novel hybrid materials by the simultaneous doping and heteroassembly engineering for next-generation LIBs.The rational design of nanoheterostructured materials has attracted much attention because of its importance for developing highly efficient LIBs. Herein, we have demonstrated that internal Mo6+ doped TiO2 nanocrystals in situ decorated with highly dispersed MoO3 clusters have been realized by a facile and rapid flame spray pyrolysis route for electrochemical energy storage. In such intriguing nanostructures, internal Mo6+ doping can improve the conductivity of electrode materials and facilitate rapid Li+ intercalation and ion transport and the heteroassembly of highly dispersed ultrafine MoO3 clusters with excellent electrochemical activity endows the TiO2 with extra Li+ ion storage ability as well as incorporates Mo6+. Thus, the as-prepared nanohybrid electrodes exhibit a high specific capacity and superior rate capability due to the maximum synergetic effect

  3. The use of stability bands to improve the performance of quadrupole mass filters

    NASA Astrophysics Data System (ADS)

    Sudakov, M. Yu.; Mamontov, E. V.

    2017-01-01

    The possibility of increasing the resolving power of quadrupole mass filters has been discussed. It has been shown that the limitations associated with the finite time of flight imposed by Von Zahn's rule are modified while using the islands of stability that appear when quadrupole is excited by the additional signals. By calculation of the exponential increment of growth of the oscillation amplitude the effect of the acceleration of mass separation and improvement of the peak shape, when the islands of stability are used for ion filtering, is explained. The case of the excitation by two signals at different frequencies has been studied theoretically. The conditions under which suppression of the first order resonance for one of the directions of motion is obtained. The direct modeling of the peak shape of the mass filter shows the possibility of obtaining a resolution of 10,000 with a time of flight of ions through the quadrupole of 100 cycles of the main RF supply, and low sensitivity of the new operating mode to the nonlinear field distortions in the quadrupoles with rods of circular cross sections.

  4. Extending the Dynamic Range of the Ion Trap by Differential Mobility Filtration

    NASA Astrophysics Data System (ADS)

    Hall, Adam B.; Coy, Stephen L.; Kafle, Amol; Glick, James; Nazarov, Erkinjon; Vouros, Paul

    2013-09-01

    A miniature, planar, differential ion mobility spectrometer (DMS) was interfaced to an LCQ classic ion trap to conduct selective ion filtration prior to mass analysis in order to extend the dynamic range of the trap. Space charge effects are known to limit the functional ion storage capacity of ion trap mass analyzers and this, in turn, can affect the quality of the mass spectral data generated. This problem is further exacerbated in the analysis of mixtures where the indiscriminate introduction of matrix ions results in premature trap saturation with non-targeted species, thereby reducing the number of parent ions that may be used to conduct MS/MS experiments for quantitation or other diagnostic studies. We show that conducting differential mobility-based separations prior to mass analysis allows the isolation of targeted analytes from electrosprayed mixtures preventing the indiscriminate introduction of matrix ions and premature trap saturation with analytically unrelated species. Coupling these two analytical techniques is shown to enhance the detection of a targeted drug metabolite from a biological matrix. In its capacity as a selective ion filter, the DMS can improve the analytical performance of analyzers such as quadrupole (3D or linear) and ion cyclotron resonance (FT-ICR) ion traps that depend on ion accumulation.

  5. Extending the dynamic range of the ion trap by differential mobility filtration.

    PubMed

    Hall, Adam B; Coy, Stephen L; Kafle, Amol; Glick, James; Nazarov, Erkinjon; Vouros, Paul

    2013-09-01

    A miniature, planar, differential ion mobility spectrometer (DMS) was interfaced to an LCQ classic ion trap to conduct selective ion filtration prior to mass analysis in order to extend the dynamic range of the trap. Space charge effects are known to limit the functional ion storage capacity of ion trap mass analyzers and this, in turn, can affect the quality of the mass spectral data generated. This problem is further exacerbated in the analysis of mixtures where the indiscriminate introduction of matrix ions results in premature trap saturation with non-targeted species, thereby reducing the number of parent ions that may be used to conduct MS/MS experiments for quantitation or other diagnostic studies. We show that conducting differential mobility-based separations prior to mass analysis allows the isolation of targeted analytes from electrosprayed mixtures preventing the indiscriminate introduction of matrix ions and premature trap saturation with analytically unrelated species. Coupling these two analytical techniques is shown to enhance the detection of a targeted drug metabolite from a biological matrix. In its capacity as a selective ion filter, the DMS can improve the analytical performance of analyzers such as quadrupole (3D or linear) and ion cyclotron resonance (FT-ICR) ion traps that depend on ion accumulation.

  6. Extending the Dynamic Range of the Ion Trap by Differential Mobility Filtration

    PubMed Central

    Hall, Adam B.; Coy, Stephen L.; Kafle, Amol; Glick, James; Nazarov, Erkinjon

    2013-01-01

    A miniature, planar, differential ion mobility spectrometer (DMS) was interfaced to an LCQ classic ion trap to conduct selective ion filtration prior to mass analysis in order to extend the dynamic range of the trap. Space charge effects are known to limit the functional ion storage capacity of ion trap mass analyzers and this, in turn, can affect the quality of the mass spectral data generated. This problem is further exacerbated in the analysis of mixtures where the indiscriminate introduction of matrix ions results in premature trap saturation with non-targeted species, thereby reducing the number of parent ions that may be used to conduct MS/MS experiments for quantitation or other diagnostic studies. We show that conducting differential mobility-based separations prior to mass analysis allows the isolation of targeted analytes from electrosprayed mixtures preventing the indiscriminate introduction of matrix ions and premature trap saturation with analytically unrelated species. Coupling these two analytical techniques is shown to enhance the detection of a targeted drug metabolite from a biological matrix. In its capacity as a selective ion filter, the DMS can improve the analytical performance of analyzers such as quadrupole (3-D or linear) and ion cyclotron resonance (FT-ICR) ion traps that depend on ion accumulation. PMID:23797861

  7. The Large Quadrupole of Water Molecules

    SciTech Connect

    Niu, Shuqiang; Tan, Ming-Liang; Ichiye, Toshhiko

    2011-04-07

    Many quantum mechanical calculations indicate water molecules in the gas and liquid phase have much larger quadrupole moments than any of the common site models of water for computer simulations. Here, comparisons of multipoles from quantum mechanical/molecular mechanical (QM/MM) calculations at the MP2/aug-cc-pVQZ level on a B3LYP/aug-cc-pVQZ level geometry of a waterlike cluster and from various site models show that the increased square planar quadrupole can be attributed to the p-orbital character perpendicular to the molecular plane of the highest occupied molecular orbital as well as a slight shift of negative charge toward the hydrogens. The common site models do not account for the p-orbital type electron density and fitting partial charges of TIP4P- or TIP5P-type models to the QM/MM dipole and quadrupole give unreasonable higher moments. Furthermore, six partial charge sites are necessary to account reasonably for the large quadrupole, and polarizable site models will not remedy the problem unless they account for the p-orbital in the gas phase since the QM calculations show it is present there too. On the other hand, multipole models by definition can use the correct multipoles and the electrostatic potential from the QM/MM multipoles is much closer than that from the site models to the potential from the QM/MM electron density. Finally, Monte Carlo simulations show that increasing the quadrupole in the soft-sticky dipole-quadrupole-octupole multipole model gives radial distribution functions that are in good agreement with experiment

  8. Magnetic Measurement Results of the LCLS Undulator Quadrupoles

    SciTech Connect

    Anderson, Scott; Caban, Keith; Nuhn, Heinz-Dieter; Reese, Ed; Wolf, Zachary; /SLAC

    2011-08-18

    This note details the magnetic measurements and the magnetic center fiducializations that were performed on all of the thirty-six LCLS undulator quadrupoles. Temperature rise, standardization reproducibility, vacuum chamber effects and magnetic center reproducibility measurements are also presented. The Linac Coherent Light Source (LCLS) undulator beam line has 33 girders, each with a LCLS undulator quadrupole which focuses and steers the beam through the beam line. Each quadrupole has main quadrupole coils, as well as separate horizontal and vertical trim coils. Thirty-six quadrupoles, thirty-three installed and three spares were, manufactured for the LCLS undulator system and all were measured to confirm that they met requirement specifications for integrated gradient, harmonics and for magnetic center shifts after current changes. The horizontal and vertical dipole trims of each quadrupole were similarly characterized. Each quadrupole was also fiducialized to its magnetic center. All characterizing measurements on the undulator quads were performed with their mirror plates on and after a standardization of three cycles from -6 to +6 to -6 amps. Since the undulator quadrupoles could be used as a focusing or defocusing magnet depending on their location, all quadrupoles were characterized as focusing and as defocusing quadrupoles. A subset of the undulator quadrupoles were used to verify that the undulator quadrupole design met specifications for temperature rise, standardization reproducibility and magnetic center reproducibility after splitting. The effects of the mirror plates on the undulator quadrupoles were also measured.

  9. Surface Modification of Orthodontic Bracket Models via Ion Implantation: Effect on Coefficients of Friction

    DTIC Science & Technology

    1989-01-01

    This finding is suggestive of carbon contamination resulting from vacuum carburization which may well have occurred during the other implantations but...Analyzing Column Ion Separating Manei --------- Quadrupole Endstation Ion Extraction/ Preacceleration Plasma N-7 Magnet Filament (Cathode) Ion

  10. Nuclear quadrupole resonance studies in semi-metallic structures

    NASA Technical Reports Server (NTRS)

    Murty, A. N.

    1974-01-01

    Both experimental and theoretical studies are presented on spectrum analysis of nuclear quadrupole resonance of antimony and arsenic tellurides. Numerical solutions for secular equations of the quadrupole interaction energy are also discussed.

  11. Significantly Improved Sodium-Ion Storage Performance of CuS Nanosheets Anchored into Reduced Graphene Oxide with Ether-Based Electrolyte.

    PubMed

    Li, Jinliang; Yan, Dong; Lu, Ting; Qin, Wei; Yao, Yefeng; Pan, Likun

    2017-01-25

    Currently sodium-ion batteries (SIBs) as energy storage technology have attracted lots of interest due to their safe, cost-effective, and nonpoisonous advantages. However, many challenges remain for development of SIBs with high specific capacity, high rate capability, and long cycle life. Therefore, CuS as an important earth-abundant, low-cost semiconductor was applied as anode of SIBs with ether-based electrolyte instead of conventional ester-based electrolyte. By incorporating reduced graphene oxide (RGO) into CuS nanosheets and optimizing the cutoff voltage, it is found that the sodium-ion storage performance can be greatly enhanced using ether-based electrolyte. The CuS-RGO composites deliver an initial Coulombic efficiency of 94% and a maximum specific capacity of 392.9 mAh g(-1) after 50 cycles at a current density of 100 mA g(-1). And a specific capacity of 345 mAh g(-1) is kept after 450 cycles at a current density of 1 A g(-1). Such an excellent electrochemical performance is ascribed to the conductive network construction of CuS-RGO composites, the suppression of dissolved polysulfide intermediates by using ether-based electrolyte, and the avoidance of conversion-type reaction by optimizing the cutoff voltage.

  12. High areal capacity hybrid magnesium-lithium-ion battery with 99.9% Coulombic efficiency for large-scale energy storage.

    PubMed

    Yoo, Hyun Deog; Liang, Yanliang; Li, Yifei; Yao, Yan

    2015-04-01

    Hybrid magnesium-lithium-ion batteries (MLIBs) featuring dendrite-free deposition of Mg anode and Li-intercalation cathode are safe alternatives to Li-ion batteries for large-scale energy storage. Here we report for the first time the excellent stability of a high areal capacity MLIB cell and dendrite-free deposition behavior of Mg under high current density (2 mA cm(-2)). The hybrid cell showed no capacity loss for 100 cycles with Coulombic efficiency as high as 99.9%, whereas the control cell with a Li-metal anode only retained 30% of its original capacity with Coulombic efficiency well below 90%. The use of TiS2 as a cathode enabled the highest specific capacity and one of the best rate performances among reported MLIBs. Postmortem analysis of the cycled cells revealed dendrite-free Mg deposition on a Mg anode surface, while mossy Li dendrites were observed covering the Li surface and penetrated into separators in the Li cell. The energy density of a MLIB could be further improved by developing electrolytes with higher salt concentration and wider electrochemical window, leading to new opportunities for its application in large-scale energy storage.

  13. Tin phosphide-based anodes for sodium-ion batteries: synthesis via solvothermal transformation of Sn metal and phase-dependent Na storage performance

    PubMed Central

    Shin, Hyun-Seop; Jung, Kyu-Nam; Jo, Yong Nam; Park, Min-Sik; Kim, Hansung; Lee, Jong-Won

    2016-01-01

    There is a great deal of current interest in the development of rechargeable sodium (Na)-ion batteries (SIBs) for low-cost, large-scale stationary energy storage systems. For the commercial success of this technology, significant progress should be made in developing robust anode (negative electrode) materials with high capacity and long cycle life. Sn-P compounds are considered promising anode materials that have considerable potential to meet the required performance of SIBs, and they have been typically prepared by high-energy mechanical milling. Here, we report Sn-P-based anodes synthesised through solvothermal transformation of Sn metal and their electrochemical Na storage properties. The temperature and time period used for solvothermal treatment play a crucial role in determining the phase, microstructure, and composition of the Sn-P compound and thus its electrochemical performance. The Sn-P compound prepared under an optimised solvothermal condition shows excellent electrochemical performance as an SIB anode, as evidenced by a high reversible capacity of ~560 mAh g−1 at a current density of 100 mA g−1 and cycling stability for 100 cycles. The solvothermal route provides an effective approach to synthesising Sn-P anodes with controlled phases and compositions, thus tailoring their Na storage behaviour. PMID:27189834

  14. On the complex interplay of crystallinity and surface area effects on Li-ion intercalation and pseudocapacitive storage properties of nanocrystalline anatase

    NASA Astrophysics Data System (ADS)

    Sussman, Micah J.; Yasin, Amrita; Demopoulos, George P.

    2014-12-01

    Lithium insertion in anatase is studied by considering simultaneously the effects of crystallinity and surface area on storage mechanism, namely intercalation vs. pseudocapacitive. 6 nm anatase crystallites with high surface area (222 m2 g-1), synthesized via a novel continuous aqueous process and annealed at different temperatures (200 °C, 300 °C, and 400 °C), were electrochemically tested. By annealing, crystallinity was increased, while surface area decreased allowing for the investigation of the contributions of each toward lithiation and delithiation behavior. The as-synthesized and best-annealed (at 300 °C) samples were compared at various rates. At low rate (1C and 2C) the annealed anatase had higher reversible capacity than the as-synthesized, due to increased diffusion-based storage. At high rate however, as-synthesized anatase had much higher capacity due to increased surface area and ability to store Li-ions pseudocapacitively. Increased crystallinity leads to increased diffusivity as determined by electrochemical impedance spectroscopy, explaining why the 300 °C anneal had higher capacity at low rate. Long-term cycling at high rate, however, showed that reliance on diffusion-based storage (intercalation) in the case of the 300 °C anneal causes increased polarization that leads to electrode performance decline. These results point to the importance of simultaneous nanoanatase property (crystallinity and surface area) optimization for achieving stable performance.

  15. Plasma-beam traps and radiofrequency quadrupole beam coolers.

    PubMed

    Maggiore, M; Cavenago, M; Comunian, M; Chirulotto, F; Galatà, A; De Lazzari, M; Porcellato, A M; Roncolato, C; Stark, S; Caruso, A; Longhitano, A; Cavaliere, F; Maero, G; Paroli, B; Pozzoli, R; Romé, M

    2014-02-01

    Two linear trap devices for particle beam manipulation (including emittance reduction, cooling, control of instabilities, dust dynamics, and non-neutral plasmas) are here presented, namely, a radiofrequency quadrupole (RFQ) beam cooler and a compact Penning trap with a dust injector. Both beam dynamics studies by means of dedicated codes including the interaction of the ions with a buffer gas (up to 3 Pa pressure), and the electromagnetic design of the RFQ beam cooler are reported. The compact multipurpose Penning trap is aimed to the study of multispecies charged particle samples, primarily electron beams interacting with a background gas and/or a micrometric dust contaminant. Using a 0.9 T solenoid and an electrode stack where both static and RF electric fields can be applied, both beam transport and confinement operations will be available. The design of the apparatus is presented.

  16. Plasma-beam traps and radiofrequency quadrupole beam coolers

    SciTech Connect

    Maggiore, M. Cavenago, M.; Comunian, M.; Chirulotto, F.; Galatà, A.; De Lazzari, M.; Porcellato, A. M.; Roncolato, C.; Stark, S.; Caruso, A.; Longhitano, A.; Cavaliere, F.; Maero, G.; Paroli, B.; Pozzoli, R.; Romé, M.

    2014-02-15

    Two linear trap devices for particle beam manipulation (including emittance reduction, cooling, control of instabilities, dust dynamics, and non-neutral plasmas) are here presented, namely, a radiofrequency quadrupole (RFQ) beam cooler and a compact Penning trap with a dust injector. Both beam dynamics studies by means of dedicated codes including the interaction of the ions with a buffer gas (up to 3 Pa pressure), and the electromagnetic design of the RFQ beam cooler are reported. The compact multipurpose Penning trap is aimed to the study of multispecies charged particle samples, primarily electron beams interacting with a background gas and/or a micrometric dust contaminant. Using a 0.9 T solenoid and an electrode stack where both static and RF electric fields can be applied, both beam transport and confinement operations will be available. The design of the apparatus is presented.

  17. Rapidly Alternating Transmission Mode Electron Transfer Dissociation and Collisional Activation for the Characterization of Polypeptide Ions

    PubMed Central

    Han, Hongling; Xia, Yu; Yang, Min; McLuckey, Scott A.

    2009-01-01

    Cation transmission/electron transfer reagent anion storage mode electron transfer ion/ion reactions and beam-type collisional activation of the polypeptide ions are performed in rapid succession in the high pressure collision cell (Q2) of a quadrupole/time-of-flight tandem mass spectrometer (QqTOF), where the electron transfer reagent anions are accumulated. Duty cycles for both electron transfer dissociation (ETD) and collision-induced dissociation (CID) experiments are improved relative to ion trapping approaches since there are no discrete ion storage and reaction steps for ETD experiments and no discrete ion storage step and frequency tuning for CID experiments. For this technique, moderately high resolution and mass accuracy are also obtained due to mass analysis via the TOF analyzer. This relatively simple approach has been demonstrated with a triply charged tryptic peptide, a triply charged tryptic phosphopeptide, and a triply charged tryptic N-linked glycopeptide. For the tryptic peptide, the sequence is identified with more certainty than would be available from a single method alone due to the complementary information provided by these two dissociation methods. Because of the complementary information derived from both ETD and CID dissociation methods, peptide sequence and post-translational modification (PTM) sites for the phosphopeptide are identified. This combined ETD and CID approach is particularly useful for characterizing glycopeptides because ETD generates information about both peptide sequence and locations of the glycosylation sites while CID provides information about the glycan structure. PMID:18396915

  18. Thermal analysis of SC quadrupoles in accelerator interaction regions

    SciTech Connect

    Novitski, Igor; Zlobin, Alexander V.; /Fermilab

    2006-09-01

    This paper presents results of a thermal analysis and operation margin calculation performed for NbTi and Nb{sub 3}Sn low-beta quadrupoles in collider interaction regions. Results of the thermal analysis for NbTi quadrupoles are compared with the relevant experimental data. An approach to quench limit measurements for Nb{sub 3}Sn quadrupoles is discussed.

  19. Sodium-ion storage properties of nickel sulfide hollow nanospheres/reduced graphene oxide composite powders prepared by a spray drying process and the nanoscale Kirkendall effect

    NASA Astrophysics Data System (ADS)

    Park, G. D.; Cho, J. S.; Kang, Y. C.

    2015-10-01

    Spray-drying and the nanoscale Kirkendall diffusion process are used to prepare nickel sulfide hollow nanospheres/reduced graphene oxide (rGO) composite powders with excellent Na-ion storage properties. Metallic Ni nanopowder-decorated rGO powders, formed as intermediate products, are transformed into composite powders of nickel sulfide hollow nanospheres/rGO with mixed crystal structures of Ni3S2 and Ni9S8 phases by the sulfidation process under H2S gas. Nickel sulfide/rGO composite powders with the main crystal structure of Ni3S2 are also prepared as comparison samples by the direct sulfidation of nickel acetate-graphene oxide (GO) composite powders obtained by spray-drying. In electrochemical properties, the discharge capacities at the 150th cycle of the nickel sulfide/rGO composite powders prepared by sulfidation of the Ni/rGO composite and nickel acetate/GO composite powders at a current density of 0.3 A g-1 are 449 and 363 mA h g-1, respectively; their capacity retentions, calculated from the tenth cycle, are 100 and 87%. The nickel sulfide hollow nanospheres/rGO composite powders possess structural stability over repeated Na-ion insertion and extraction processes, and also show excellent rate performance for Na-ion storage.Spray-drying and the nanoscale Kirkendall diffusion process are used to prepare nickel sulfide hollow nanospheres/reduced graphene oxide (rGO) composite powders with excellent Na-ion storage properties. Metallic Ni nanopowder-decorated rGO powders, formed as intermediate products, are transformed into composite powders of nickel sulfide hollow nanospheres/rGO with mixed crystal structures of Ni3S2 and Ni9S8 phases by the sulfidation process under H2S gas. Nickel sulfide/rGO composite powders with the main crystal structure of Ni3S2 are also prepared as comparison samples by the direct sulfidation of nickel acetate-graphene oxide (GO) composite powders obtained by spray-drying. In electrochemical properties, the discharge capacities at the

  20. Modified quadrupole mass analyzer RGA-100 for beam plasma research in forevacuum pressure range

    SciTech Connect

    Zolotukhin, D. B.; Tyunkov, A. V.; Yushkov, Yu. G.; Oks, E. M.

    2015-12-15

    The industrial quadrupole RGA-100 residual gas analyzer was modified for the research of electron beam-generated plasma at forevacuum pressure range. The standard ionizer of the RGA-100 was replaced by three electrode extracting unit. We made the optimization of operation parameters in order to provide the maximum values of measured currents of any ion species. The modified analyzer was successfully tested with beam plasma of argon, nitrogen, oxygen, and hydrocarbons.

  1. Parameter optimization for Doppler laser cooling of a low-energy heavy ion beam at the storage ring S-LSR

    NASA Astrophysics Data System (ADS)

    Osaki, Kazuya; Okamoto, Hiromi

    2014-05-01

    S-LSR is a compact ion storage ring constructed at Kyoto University several years ago. The ring is equipped with a Doppler laser cooling system aimed at beam crystallization. Bearing in mind hardware limitations in S-LSR, we try to find an optimum set of primary experimental parameters for the production of an ultracold heavy ion beam. Systematic molecular dynamics simulations are carried out for this purpose. It is concluded that the detuning and spot size of the cooling laser should be chosen around -42 MHz and 1.5 mm, respectively, for the most efficient cooling of 40 keV ^{24}Mg^+ beams in S-LSR. Under the optimum conditions, the use of the resonant coupling method followed by radio-frequency field ramping enables us to reach an extremely low beam temperature on the order of 0.1 K in the transverse degrees of freedom. The longitudinal degree of freedom can be cooled to close to the Doppler limit; i.e., to the mK range. We also numerically demonstrate that it is possible to establish a stable, long one-dimensionally ordered state of ions.

  2. Flexible Hybrid Electrodes Containing Vanadium Pentoxide (V2O5) and an Electron- and Ion-Conducting Diblock Copolymer for Energy Storage

    NASA Astrophysics Data System (ADS)

    An, Hyosung; Mike, Jared; Smith, Kendall; Swank, Lisa; Lin, Yen-Hao; Pesek, Stacy; Verduzco, Rafael; Lutkenhaus, Jodie

    2015-03-01

    Vanadium pentoxide (V2O5) is a promising cathode material for Lithium-ion batteries due to its high capacity, high energy density, and cost-effectiveness. However, its low lithium-ion diffusion coefficient (10-12 - 10-13 cm2/s), low electronic conductivity (10-2 - 10-3 S/cm), and severe volumetric changes during cycling have hindered its application in practical devices. One way to address these problems is to design hybrid electrodes that incorporate a second active material. For this purpose, poly(3-hexylthiophene)-block-poly(ethylene oxide) (P3HT- b-PEO) block copolymer containing electron- and ion-conducting polymer blocks was introduced to a V2O5 electrode system. Cathodes are prepared by mixing aqueous dispersions of block copolymer, V2O5, and lithium bis(trifluoromethanesulfonyl)imide (LiTFSI) and drop casting. The V2O5 and P3HT- b-PEO hybrid electrode showed synergistic results, having improved electrochemical storage performance and mechanical property. We also demonstrated a flexible battery prototype using the P3HT- b-PEO/V2O5 cathode.

  3. Trap-based Cluster Research and Cluster-based Investigations of Ion Storage at ClusterTrap

    SciTech Connect

    Schweikhard, Lutz; Breitenfeldt, Martin; Herlert, Alexander; Martinez, Franklin; Marx, Gerrit; Walsh, Noelle

    2006-10-18

    ClusterTrap is a setup devoted to the investigation of atomic clusters. The Penning trap allows various studies after preceding preparation steps. In particular, the clusters may be size selected and their charge state may be varied by electron impact ionization or electron attachment during storage. On the other hand the clusters can be used for extended studies of the properties of the Penning trap. Both aspects are described with recent examples.

  4. Ion Storage Ring Measurements of Low Temperature Dielectronic Recombination Rate Coefficients for Modeling X-Ray Photoionized Cosmic Plasmas

    NASA Technical Reports Server (NTRS)

    Savin, D. W.; Gwinner, G.; Schwalm, D.; Wolf, A.; Mueller, A.; Schippers, S.

    2002-01-01

    Low temperature dielectronic recombination (DR) is the dominant recombination mechanism for most ions in X-ray photoionized cosmic plasmas. Reliably modeling and interpreting spectra from these plasmas requires accurate low temperature DR rate Coefficients. Of particular importance are the DR rate coefficients for the iron L-shell ions (Fe XVII-Fe XXIV). These ions are predicted to play an important role in determining the thermal structure and line emission of X-ray photoionized plasmas, which form in the media surrounding accretion powered sources such as X-ray binaries (XRBs), active galactic nuclei (AGN), and cataclysmic variables (Savin et al., 2000). The need for reliable DR data of iron L-shell ions has become particularly urgent after the launches of Chandra and XMM-Newton. These satellites are now providing high-resolution X-ray spectra from a wide range of X-ray photoionized sources. Interpreting the spectra from these sources requires reliable DR rate coefficients. However, at the temperatures relevant, for X-ray photoionized plasmas, existing theoretical DR rate coefficients can differ from one another by factors of two to orders of magnitudes.

  5. Liquid chromatography with triple-quadrupole or quadrupole-time of flight mass spectrometry for screening and confirmation of residues of pharmaceuticals in water.

    PubMed

    Stolker, Alida A M; Niesing, Willem; Hogendoorn, Elbert A; Versteegh, Johanna F M; Fuchs, Regine; Brinkman, Udo A Th

    2004-02-01

    LC-MS-MS has been performed with triple-quadrupole (QqQ) and quadrupole-time of flight (Q-ToF) instruments and has been used for screening and confirmation of pharmaceuticals in surface, drinking, and ground water. Screening was based on monitoring of one specific MS-MS ion of the target compounds. Confirmation of the identity of the pharmaceuticals was based either on the monitoring of two specific MS-MS ions and calculation of the ratio of their intensities, or on the exact masses of MS-MS product ions obtained for a molecular ion by use of LC-Q-ToF MS. The set of pharmaceuticals included four analgesics (acetylsalicylic acid, diclofenac, ibuprofen, and paracetamol), three antibiotics (sulfamethoxazole, erythromycin, and chloramphenicol), five blood-lipid regulators and beta-blockers (fenofibrate, bezafibrate, clofibric acid, bisoprolol, and metoprolol), and the anti-epileptic drug carbamazepine. Limits of quantification ranged from 5 to 25 ng L(-1). Fifty-six samples were analysed and residues of the pharmaceuticals were detected in almost all surface and groundwater and in some drinking water samples. The identity of the compounds could be confirmed by use of both QqQ- and Q-ToF-based LC-MS-MS. However, the latter technique has the distinct advantage that a large number of pharmaceuticals can be screened and confirmed at low concentrations (1-100 ng L(-1)) in one run.

  6. Coumarin-modified microporous-mesoporous Zn-MOF-74 showing ultra-high uptake capacity and photo-switched storage/release of U(VI) ions.

    PubMed

    Zhang, Le; Wang, Lin Lin; Gong, Le Le; Feng, Xue Feng; Luo, Ming Biao; Luo, Feng

    2016-07-05

    Driven by an energy crisis but consequently puzzled by various environmental problems, uranium, as the basic material of nuclear energy, is now receiving extensive attentions. In contrast to numerous sorbents applied in this field, metal-organic framework (MOFs), as a renovated material platform, has only recently been developed. How to improve the adsorption capacity of MOF materials towards U(VI) ions, as well as taking advantage of the nature of these MOFs to design photo-switched behaviour for photo-triggered storage/release of U(VI) ions are at present urgent problems and great challenges to be solved. Herein, we show a simple and facile method to target the goal. Through coordination-based post-synthetic strategy, microporous- mesoporous Zn-MOF-74 was easily functionalized by grafting coumarin on coordinatively unsaturated Zn(II) centers, yielding a series of coumarin-modified Zn-MOF-74 materials. The obtained samples displayed ultra-high adsorption capacity for U(VI) ions from water at pH value of 4 with maximum adsorption capacities as high as 360 mg/g (the record value in MOFs) and a remarkable photo-switched capability of 50 mg/g at pH value of 4. To the best of knowledge, and in contrast to the well-known photo-switched behaviour towards CO2, dye (propidium iodide), as well as fluorescence observed in MOFs, this is the first study that shows a photo-switched behaviour towards radioactive U(VI) ions in aqueous solution.

  7. LARP Long Nb3Sn Quadrupole Design

    SciTech Connect

    Ambrosio, G.; Andreev, N.; Anerella, M.; Barzi, E.; Bossert, R.; Caspi, S.; Chlachidize, G.; Dietderich, D.; Feher, S.; Ferracin, P.; Ghosh, A.; Hafalia, R.; Hannaford, R.; Kashikhin, V.V.; Kerby, J.; Lamm, M.; Lietzke, A.; McInturff, A.; Muratore, J.; Nobrega, F.; Novitsky, I.; Sabbi, G.L.; Schmalzle, J.; Tartaglia, M.; Turrioni, D.; Wanderer, P.; Whitson, G.; Zlobin, A.V.

    2008-06-01

    A major milestone for the LHC Accelerator Research Program (LARP) is the test, by the end of 2009, of two 4m-long quadrupole magnets (LQ) wound with Nb{sub 3}Sn conductor. The goal of these magnets is to be a proof of principle that Nb{sub 3}Sn is a viable technology for a possible LHC luminosity upgrade. The design of the LQ is based on the design of the LARP Technological Quadrupoles, presently under development at FNAL and LBNL, with 90-mm aperture and gradient higher than 200 T/m. The design of the first LQ model will be completed by the end of 2007 with the selection of a mechanical design. In this paper we present the coil design addressing some fabrication technology issues, the quench protection study, and three designs of the support structure.

  8. LARP Long Nb3Sn Quadrupole Design.

    SciTech Connect

    Ambrosio,G.; Andreev, N.; Anerella, M.; Barzi, E.; Bossert, R.; Caspi, S.; Chlachidize, G.; Dietderich, D.; Feher, S.; Felice, H.; Ferracin, P.; Ghosh, A.; Hafalia, A.R.; Hannaford, C.R.; Kashikhin, V.V.; Kerby, J.; Lamm, M.; Lietzke, A.; McInturff, A.; Muratore, J.; Nobrega, F.; Novitsky, I.; Sabbi, G.L.; Schmalzle, J.; Tartaglia, M.; Turrioni, D.; Wanderer, P.; Whitson, G.; Zlobin, A.V.

    2007-08-27

    A major milestone for the LHC Accelerator Research Program (LARP) is the test, by the end of 2009, of two 4m-long quadrupole magnets (LQ) wound with Nb{sub 3}Sn conductor. The goal of these magnets is to be a proof of principle that Nb{sub 3}Sn is a viable technology for a possible LHC luminosity upgrade. The design of the LQ is based on the design of the LARP Technological Quadrupoles, presently under development at FNAL and LBNL, with 90-mm aperture and gradient higher than 200 T/m. The design of the first LQ model will be completed by the end of 2007 with the selection of a mechanical design. In this paper we present the coil design addressing some fabrication technology issues, the quench protection study, and three designs of the support structure.

  9. LARP Long Nb3Sn Quadrupole Design

    SciTech Connect

    Ambrosio, G.; Andreev, N.; Anerella, M.; Barzi, E.; Bossert, R.; Caspi, S.; Chlachidze, G.; Dietderich, D.; Feher, S.; Felice, H.; Ferracin, P.; /Fermilab /Brookhaven /LBL, Berkeley /Texas A-M

    2007-08-01

    A major milestone for the LHC Accelerator Research Program (LARP) is the test, by the end of 2009, of two 4m-long quadrupole magnets (LQ) wound with Nb3Sn conductor. The goal of these magnets is to be a proof of principle that Nb3Sn is a viable technology for a possible LHC luminosity upgrade. The design of the LQ is based on the design of the LARP Technological Quadrupoles, presently under development at FNAL and LBNL, with 90-mm aperture and gradient higher than 200 T/m. The design of the first LQ model will be completed by the end of 2007 with the selection of a mechanical design. In this paper we present the coil design addressing some fabrication technology issues, the quench protection study, and three designs of the support structure.

  10. Superconducting quadrupoles for the SLC final focus

    SciTech Connect

    Erickson, R.; Fieguth, T.; Murray, J.J.

    1987-01-01

    The final focus system of the SLC will be upgraded by replacing the final quadrupoles with higher gradient superconducting magnets positioned closer to the interaction point. The parameters of the new system have been chosen to be compatible with the experimental detectors with a minimum of changes to other final focus components. These parameter choices are discussed along with the expected improvement in SLC performance.

  11. Radio frequency quadrupole resonator for linear accelerator

    DOEpatents

    Moretti, Alfred

    1985-01-01

    An RFQ resonator for a linear accelerator having a reduced level of interfering modes and producing a quadrupole mode for focusing, bunching and accelerating beams of heavy charged particles, with the construction being characterized by four elongated resonating rods within a cylinder with the rods being alternately shorted and open electrically to the shell at common ends of the rods to provide an LC parallel resonant circuit when activated by a magnetic field transverse to the longitudinal axis.

  12. Quadrupole transitions revealed by Borrmann spectroscopy.

    PubMed

    Pettifer, Robert F; Collins, Stephen P; Laundy, David

    2008-07-10

    The Borrmann effect-a dramatic increase in transparency to X-ray beams-is observed when X-rays satisfying Bragg's law diffract through a perfect crystal. The minimization of absorption seen in the Borrmann effect has been explained by noting that the electric field of the X-ray beam approaches zero amplitude at the crystal planes, thus avoiding the atoms. Here we show experimentally that under conditions of absorption suppression, the weaker electric quadrupole absorption transitions are effectively enhanced to such a degree that they can dominate the absorption spectrum. This effect can be exploited as an atomic spectroscopy technique; we show that quadrupole transitions give rise to additional structure at the L(1), L(2) and L(3) absorption edges of gadolinium in gadolinium gallium garnet, which mark the onset of excitations from 2s, 2p(1/2) and 2p(3/2) atomic core levels, respectively. Although the Borrmann effect served to underpin the development of the theory of X-ray diffraction, this is potentially the most important experimental application of the phenomenon since its first observation seven decades ago. Identifying quadrupole features in X-ray absorption spectroscopy is central to the interpretation of 'pre-edge' spectra, which are often taken to be indicators of local symmetry, valence and atomic environment. Quadrupolar absorption isolates states of different symmetries to that of the dominant dipole spectrum, and typically reveals orbitals that dominate the electronic ground-state properties of lanthanides and 3d transition metals, including magnetism. Results from our Borrmann spectroscopy technique feed into contemporary discussions regarding resonant X-ray diffraction and the nature of pre-edge lines identified by inelastic X-ray scattering. Furthermore, because the Borrmann effect has been observed in photonic materials, it seems likely that the quadrupole enhancement reported here will play an important role in modern optics.

  13. Table of nuclear electric quadrupole moments

    NASA Astrophysics Data System (ADS)

    Stone, N. J.

    2016-09-01

    This Table is a compilation of experimental measurements of static electric quadrupole moments of ground states and excited states of atomic nuclei throughout the periodic table. To aid identification of the states, their excitation energy, half-life, spin and parity are given, along with a brief indication of the method and any reference standard used in the particular measurement. Experimental data from all quadrupole moment measurements actually provide a value of the product of the moment and the electric field gradient [EFG] acting at the nucleus. Knowledge of the EFG is thus necessary to extract the quadrupole moment. A single recommended moment value is given for each state, based, for each element, wherever possible, upon a standard reference moment for a nuclear state of that element studied in a situation in which the electric field gradient has been well calculated. For several elements one or more subsidiary EFG/moment reference is required and their use is specified. The literature search covers the period to mid-2015.

  14. "Butterfly effect" in CuO/graphene composite nanosheets: a small interfacial adjustment triggers big changes in electronic structure and Li-ion storage performance.

    PubMed

    Zhang, Xiaoting; Zhou, Jisheng; Song, Huaihe; Chen, Xiaohong; Fedoseeva, Yu V; Okotrub, A V; Bulusheva, L G

    2014-10-08

    Generally speaking, excellent electrochemical performance of metal oxide/graphene nanosheets (GNSs) composite is attributed to the interfacial interaction (or "synergistic effect") between constituents. However, there are no any direct observations on how the electronic structure is changed and how the properties of Li-ion storage are affected by adjusting the interfacial interaction, despite of limited investigations on the possible nature of binding between GNSs and metal oxide. In this paper, CuO nanosheets/GNSs composites with a little Cu2O (ca. 4 wt %) were utilized as an interesting model to illustrate directly the changes of interfacial nature as well as its deep influence on the electronic structure and Li-ion storage performance of composite. The interfacial adjustment was successfully fulfilled by removal of Cu2O in the composite by NH3·H2O. Formation of Cu-O-C bonds on interfaces both between CuO and GNSs, and Cu2O and GNSs in the original CuO/GNSs composites was detected. The small interfacial alteration by removal of the little Cu2O results in the obvious changes in electronic structure, such as weakening of covalent Cu-O-C interfacial interaction and recovery of π bonds in graphene, and simultaneously leads to variations in electrochemical performance of composites, including a 21% increase of reversible capacity, degradation of cyclic stability and rate-performance, and obvious increase of charge-transfer resistance, which can be called a "butterfly effect" in graphene-based metal oxide composites. These interesting phenomena could be helpful to design not only the high-performance graphene/metal oxide anode materials but also various advanced graphene-based composites used in the other fields such as sensors, catalysis, fuel cells, solar cells, etc.

  15. Developments in accelerators for heavy ion fusion

    SciTech Connect

    Keefe, D.

    1985-05-01

    The long term goal of Heavy Ion Fusion (HIF) is the development of an accelerator with the large beam power, large beam stored-energy, and high brightness needed to implode small deuterium-tritium capsules for fusion power. While studies of an rf linac/storage ring combination as an inertial fusion driver continue in Japan and Europe, the US program in recent times has concentrated on the study of the suitability of linear induction acceleration of ions for this purpose. Novel features required include use of multiple beams, beam current amplification in the linac, and manipulation of long beam bunches with a large velocity difference between head and tail. Recent experiments with an intense bright beam of cesium ions have established that much higher currents can be transported in a long quadrupole system than was believed possible a few years ago. A proof-of-principle ion induction linac to demonstrate beam current amplification with multiple beams is at present being fabricated at LBL. 28 refs., 4 figs.

  16. From Allergens to Battery Anodes: Nature-Inspired, Pollen Derived Carbon Architectures for Room- and Elevated- Temperature Li-ion Storage

    PubMed Central

    Tang, Jialiang; Pol, Vilas G.

    2016-01-01

    The conversion of allergic pollen grains into carbon microstructures was carried out through a facile, one-step, solid-state pyrolysis process in an inert atmosphere. The as-prepared carbonaceous particles were further air activated at 300 °C and then evaluated as lithium ion battery anodes at room (25 °C) and elevated (50 °C) temperatures. The distinct morphologies of bee pollens and cattail pollens are resembled on the final architecture of produced carbons. Scanning Electron Microscopy images shows that activated bee pollen carbon (ABP) is comprised of spiky, brain-like, and tiny spheres; while activated cattail pollen carbon (ACP) resembles deflated spheres. Structural analysis through X-ray diffraction and Raman spectroscopy confirmed their amorphous nature. X-ray photoelectron spectroscopy analysis of ABP and ACP confirmed that both samples contain high levels of oxygen and small amount of nitrogen contents. At C/10 rate, ACP electrode delivered high specific lithium storage reversible capacities (590 mAh/g at 50 °C and 382 mAh/g at 25 °C) and also exhibited excellent high rate capabilities. Through electrochemical impedance spectroscopy studies, improved performance of ACP is attributed to its lower charge transfer resistance than ABP. Current studies demonstrate that morphologically distinct renewable pollens could produce carbon architectures for anode applications in energy storage devices. PMID:26846311

  17. Ion mobility spectrometry versus classical physico-chemical analysis for assessing the shelf life of extra virgin olive oil according to container type and storage conditions.

    PubMed

    Garrido-Delgado, Rocío; Dobao-Prieto, M Mar; Arce, Lourdes; Aguilar, Joaquín; Cumplido, José L; Valcárcel, Miguel

    2015-03-04

    An experimental study was conducted to assess the stability of a single-variety (Arbequina) extra virgin olive oil (EVOO) as a function of container type and storage conditions over a period of 11 months. EVOO quality was assessed by using ion mobility spectrometry (IMS), which provides increased simplicity, expeditiousness, and relative economy. The results were compared with the ones obtained by using the official method based on classical physico-chemical analysis. Bag-in-box, metal, dark glass, clear glass, and polyethylene terephthalate containers holding EVOO were opened on a periodic basis for sampling to simulate domestic use; in parallel, other containers were kept closed until analysis to simulate the storage conditions on market shelves. The results of the physico-chemical and instrumental analyses led to similar conclusions. Thus, samples packaged in bag-in-box containers preserved oil quality for 11 months, better than other container types. The HS-GC-IMS results confirm that 2-heptenal and 1-penten-3-one are two accurate markers of EVOO quality.

  18. Atomically thin Co3O4 nanosheet-coated stainless steel mesh with enhanced capacitive Na+ storage for high-performance sodium-ion batteries

    NASA Astrophysics Data System (ADS)

    Dou, Yuhai; Wang, Yunxiao; Tian, Dongliang; Xu, Jiantie; Zhang, Zhijia; Liu, Qiannan; Ruan, Boyang; Ma, Jianmin; Sun, Ziqi; Xue Dou, Shi

    2017-03-01

    Capacitive storage (e.g., double layer capacitance and pseudocapacitance) with Na+ stored mainly at the surface or interface of the active materials rather than inserted into the bulk crystal is an effective approach to achieve high rate capability and long cycle life in sodium-ion batteries (SIBs). Herein, atomically thin Co3O4 nanosheets are successfully synthesized and grown directly on the stainless steel mesh as an anode material for SIBs. This anode delivers a high average capacity of 509.2 mAh g-1 for the initial 20 cycles (excluding the first cycle) at 50 mA g-1, presents excellent rate capability with an average capacity of 427.0 mAh g-1 at 500 mA g-1, and exhibits high cycling stability, which significantly outperforms the electrode prepared from conventional Co3O4 nanostructures, the electrode prepared by conventional casting method, and previously reported Co3O4 electrodes. The superior electrochemical performance is mainly attributable to the atomic thickness of the Co3O4 nanosheets and the direct growth method in electrode processing, which lead to remarkably enhanced surface redox pseudocapacitance and interfacial double layer capacitance. This Na+ capacitive storage mechanism provides a promising strategy for the development of electrode materials with high energy and power densities and ultralong cycle life for SIBs.

  19. From Allergens to Battery Anodes: Nature-Inspired, Pollen Derived Carbon Architectures for Room- and Elevated- Temperature Li-ion Storage

    NASA Astrophysics Data System (ADS)

    Tang, Jialiang; Pol, Vilas G.

    2016-02-01

    The conversion of allergic pollen grains into carbon microstructures was carried out through a facile, one-step, solid-state pyrolysis process in an inert atmosphere. The as-prepared carbonaceous particles were further air activated at 300 °C and then evaluated as lithium ion battery anodes at room (25 °C) and elevated (50 °C) temperatures. The distinct morphologies of bee pollens and cattail pollens are resembled on the final architecture of produced carbons. Scanning Electron Microscopy images shows that activated bee pollen carbon (ABP) is comprised of spiky, brain-like, and tiny spheres; while activated cattail pollen carbon (ACP) resembles deflated spheres. Structural analysis through X-ray diffraction and Raman spectroscopy confirmed their amorphous nature. X-ray photoelectron spectroscopy analysis of ABP and ACP confirmed that both samples contain high levels of oxygen and small amount of nitrogen contents. At C/10 rate, ACP electrode delivered high specific lithium storage reversible capacities (590 mAh/g at 50 °C and 382 mAh/g at 25 °C) and also exhibited excellent high rate capabilities. Through electrochemical impedance spectroscopy studies, improved performance of ACP is attributed to its lower charge transfer resistance than ABP. Current studies demonstrate that morphologically distinct renewable pollens could produce carbon architectures for anode applications in energy storage devices.

  20. From Allergens to Battery Anodes: Nature-Inspired, Pollen Derived Carbon Architectures for Room- and Elevated-Temperature Li-ion Storage.

    PubMed

    Tang, Jialiang; Pol, Vilas G

    2016-02-05

    The conversion of allergic pollen grains into carbon microstructures was carried out through a facile, one-step, solid-state pyrolysis process in an inert atmosphere. The as-prepared carbonaceous particles were further air activated at 300 °C and then evaluated as lithium ion battery anodes at room (25 °C) and elevated (50 °C) temperatures. The distinct morphologies of bee pollens and cattail pollens are resembled on the final architecture of produced carbons. Scanning Electron Microscopy images shows that activated bee pollen carbon (ABP) is comprised of spiky, brain-like, and tiny spheres; while activated cattail pollen carbon (ACP) resembles deflated spheres. Structural analysis through X-ray diffraction and Raman spectroscopy confirmed their amorphous nature. X-ray photoelectron spectroscopy analysis of ABP and ACP confirmed that both samples contain high levels of oxygen and small amount of nitrogen contents. At C/10 rate, ACP electrode delivered high specific lithium storage reversible capacities (590 mAh/g at 50 °C and 382 mAh/g at 25 °C) and also exhibited excellent high rate capabilities. Through electrochemical impedance spectroscopy studies, improved performance of ACP is attributed to its lower charge transfer resistance than ABP. Current studies demonstrate that morphologically distinct renewable pollens could produce carbon architectures for anode applications in energy storage devices.

  1. Advanced Mesoporous Spinel Li4Ti5O12/rGO Composites with Increased Surface Lithium Storage Capability for High-Power Lithium-Ion Batteries.

    PubMed

    Ge, Hao; Hao, Tingting; Osgood, Hannah; Zhang, Bing; Chen, Li; Cui, Luxia; Song, Xi-Ming; Ogoke, Ogechi; Wu, Gang

    2016-04-13

    Spinel Li4Ti5O12 (LTO) and reduced graphene oxide (rGO) are attractive anode materials for lithium-ion batteries (LIBs) because of their unique electrochemical properties. Herein, we report a facile one-step hydrothermal method in preparation of a nanocomposite anode consisting of well-dispersed mesoporous LTO particles onto rGO. An important reaction step involves glucose as a novel linker agent and reducing agent during the synthesis. It was found to prevent the aggregation of LTO particles, and to yield mesoporous structures in nanocomposites. Moreover, GO is reduced to rGO by the hydroxyl groups on glucose during the hydrothermal process. When compared to previously reported LTO/graphene electrodes, the newly prepared LTO/rGO nanocomposite has mesoporous characteristics and provides additional surface lithium storage capability, superior to traditional LTO-based materials for LIBs. These unique properties lead to markedly improved electrochemical performance. In particular, the nanocomposite anode delivers an ultrahigh reversible capacity of 193 mA h g(-1) at 0.5 C and superior rate performance capable of retaining a capacity of 168 mA h g(-1) at 30 C between 1.0 and 2.5 V. Therefore, the newly prepared mesoporous LTO/rGO nanocomposite with increased surface lithium storage capability will provide a new opportunity to develop high-power anode materials for LIBs.

  2. Selected Ion Fragmentation with a Triple Quadrupole Mass Spectrometer.

    DTIC Science & Technology

    1980-09-19

    Reoroduction in whole or in oart is oermitted for any purpose of the United States Government Approved for Public Release; Distribution Unlimited ; • cm, - -.J...development or are operating in the laboratories of Cooks, Hunt, and McLafferty. The work described in this thesis, however, constitutes the first...photodissociation studies by two groups in the early 1970’s (12,13). It was on one of these instruments, in the laboratory of J. D. Morrison at La Trobe

  3. Control Electronics for Air-Borne Quadrupole Ion Mass Spectrometer.

    DTIC Science & Technology

    1981-10-01

    REMOVE ALL I DEFINITIONS CPI OD9H ;IS ENTRY A Y? JNZ GETALL ;ERROR IN ENTRY SRART AGAIN GI8 LXI H,M15 ;DISPLAY DATAVAL ? MESSAG MVI A, (18H CALL MESSAG...ASCII " BJC-2" MI AS5CI I " DATAVAL ?" MI6 ASCI I "DECIMAL?" ml ASCII "SUB IDS?" M1 ASCII "SUB ID#" M19 ASCII " LbYT LOC" M2U ASCii " II3YT LOC" M21

  4. Interactions between CO2, minerals, and toxic ions: Implications for CO2 leakage from deep geological storage (Invited)

    NASA Astrophysics Data System (ADS)

    Renard, F.; Montes-Hernandez, G.

    2013-12-01

    The long-term injection of carbon dioxide into geological underground reservoirs may lead to leakage events that will enhance fluid-rock interactions and question the safety of these repositories. If injection of carbon dioxide into natural reservoirs has been shown to mobilize some species into the pore fluid, including heavy metals and other toxic ions, the detailed interactions remain still debated because two main processes could interact and modify fluid composition: on the one hand dissolution/precipitation reactions may release/incorporate trace elements, and on the other hand adsorption/desorption reactions on existing mineral surfaces may also mobilize or trap these elements. We analyze here, through laboratory experiments, a scenario of a carbon dioxide reservoir that leaks into a fresh water aquifer through a localized leakage zone such as a permeable fault zone localized in the caprock and enhance toxic ions mobilization. Our main goal is to evaluate the potential risks on potable water quality. In a series of experiments, we have injected carbon dioxide into a fresh water aquifer-like medium that contained carbonate and/or iron oxide particles, pure water, and various concentrations of trace elements (copper, arsenic, cadmium, and selenium, in various states of oxidation). This analogue and simplified medium has been chosen because it contains two minerals (calcite, goethite) widespread found in freshwater aquifers. The surface charge of these minerals may vary with pH and therefore control how trace elements are adsorbed or desorbed, depending on fluid composition. Our experiments show that these minerals could successfully prevent the remobilization of adsorbed Cu(II), Cd(II), Se(IV), and As(V) if carbon dioxide is intruded into a drinking water aquifer. Furthermore, a decrease in pH resulting from carbon dioxide intrusion could reactivate the adsorption of Se(IV) and As(V) if goethite and calcite are sufficiently available in the aquifer. Our

  5. Photoassociation of a cold-atom-molecule pair: Long-range quadrupole-quadrupole interactions

    SciTech Connect

    Lepers, M.; Dulieu, O.; Kokoouline, V.

    2010-10-15

    The general formalism of the multipolar expansion of electrostatic interactions is applied to the calculation of the potential energy between an excited atom (without fine structure) and a ground-state diatomic molecule at large mutual separations. Both partners exhibit a permanent quadrupole moment so that their mutual long-range interaction is dominated by a quadrupole-quadrupole term, which is attractive enough to bind trimers. Numerical results are given for an excited Cs(6{sup 2}P) atom and a ground-state Cs{sub 2} molecule. The prospects for achieving photoassociation of a cold-atom-dimer pair are thus discussed and found promising. The formalism can be generalized to the long-range interaction between molecules to investigate the formation of cold tetramers.

  6. Precise determination of the 1s Lamb Shift in hydrogen-like heavy ions at the ESR storage ring using microcalorimeters

    NASA Astrophysics Data System (ADS)

    Kraft-Bermuth, S.; Andrianov, V.; Bleile, A.; Echler, A.; Egelhof, P.; Grabitz, P.; Ilieva, S.; Kiselev, O.; Kilbourne, C.; McCammon, D.; Meier, J. P.; Scholz, P.

    2015-11-01

    The precise determination of the energy of the Lyman α1 and α2 lines in hydrogen-like heavy ions provides a sensitive test of quantum electrodynamics in very strong Coulomb fields. To improve the precision of such experiments, the new detector concept of microcalorimeters, which detect the temperature change of an absorber after an incoming particle or photon has deposited its energy as heat, is now exploited. The microcalorimeters for x-rays used in these experiments consist of arrays of silicon thermometers and x-ray absorbers made of high-Z material. With such detectors, a relative energy resolution of about 1 per mille is obtained in the energy regime of 50-100 keV. Two successful measurement campaigns to determine the 1s Lamb Shift in Pb81+ and Au78+ have been completed: a prototype array has been applied successfully for the determination of the 1s Lamb Shift of Pb81+ at the ESR storage ring at GSI in a first test experiment. Based on the results of this test, a full array with 32 pixels has been equipped and has recently been applied to determine the 1s Lamb Shift in Au78+ ions. The energy of the Lyman-α1 line agrees within error bars well with theoretical predictions. The obtained accuracy is already comparable to the best accuracy obtained with conventional germanium detectors for hydrogen-like uranium.

  7. Synergetic Effect of Yolk-Shell Structure and Uniform Mixing of SnS-MoS₂ Nanocrystals for Improved Na-Ion Storage Capabilities.

    PubMed

    Choi, Seung Ho; Kang, Yun Chan

    2015-11-11

    Mixed metal sulfide composite microspheres with a yolk-shell structure for sodium-ion batteries are studied. Tin-molybdenum oxide yolk-shell microspheres prepared by a one-pot spray pyrolysis process transform into yolk-shell SnS-MoS2 composite microspheres. The discharge capacities of the yolk-shell and dense-structured SnS-MoS2 composite microspheres for the 100th cycle are 396 and 207 mA h g(-1), and their capacity retentions measured from the second cycle are 89 and 47%, respectively. The yolk-shell SnS-MoS2 composite microspheres with high structural stability during repeated sodium insertion and desertion processes have low charge-transfer resistance even after long-term cycling. The synergetic effect of the yolk-shell structure and uniform mixing of the SnS and MoS2 nanocrystals result in the excellent sodium-ion storage properties of the yolk-shell SnS-MoS2 composite microspheres by improving their structural stability during cycling.

  8. Electrochemical energy storage behavior of Sn/SnO2 double phase nanocomposite anodes produced on the multiwalled carbon nanotube buckypapers for lithium-ion batteries

    NASA Astrophysics Data System (ADS)

    Alaf, Mirac; Akbulut, Hatem

    2014-02-01

    Recent development of electrode materials for Li-ion batteries is driven mainly by hybrid nanocomposite structures consisting of Li storage compounds and CNTs. In this study, tin/tinoxide (Sn/SnO2) films and tin/tinoxide/multi walled carbon nanotube (Sn/SnO2/MWCNT) nanocomposites are produced by a two steps process; thermal evaporation and subsequent plasma oxidation as anode materials for Li-ion batteries. The physical, structural, and electrochemical behaviors of the nanocomposite electrodes containing MWCNTs are discussed. The ratio between metallic tin (Sn) and tinoxide (SnO2) is controlled with plasma oxidation time and effects of the ratio are investigated on the structural and electrochemical properties. The greatly enhanced electrochemical performance is mainly due to the morphological stability and reduced diffusion resistance, which are induced by MWCNT core and deposited Sn/SnO2 double phase shell. The outstanding long-term cycling stability is a result of the two layers Sn and SnO2 phases on MWCNTs. The nanoscale Sn/SnO2/MWCNT network provides good electrical conductivity, and the creation of open spaces that buffer a large volume change during the Li-alloying/de-alloying reaction.

  9. Apparatus and method of dissociating ions in a multipole ion guide

    DOEpatents

    Webb, Ian K.; Tang, Keqi; Smith, Richard D.; Ibrahim, Yehia M.; Anderson, Gordon A.

    2014-07-08

    A method of dissociating ions in a multipole ion guide is disclosed. A stream of charged ions is supplied to the ion guide. A main RF field is applied to the ion guide to confine the ions through the ion guide. An excitation RF field is applied to one pair of rods of the ion guide. The ions undergo dissociation when the applied excitation RF field is resonant with a secular frequency of the ions. The multipole ion guide is, but not limited to, a quadrupole, a hexapole, and an octopole.

  10. Cryo-technical design aspects of the superconducting SIS100 quadrupole doublet modules

    SciTech Connect

    Meier, J. P.; Bleile, A.; Fischer, E.; Hess, G.; Macavei, J.; Spiller, P.

    2014-01-29

    The FAIR project was initiated to build an international accelerator and experimental facility for basic research activities in various fields of modern physics. The core component of the project will be the SIS100 heavy ion accelerator, producing heavy ion beams of uniquely high intensities and qualities. The superconducting main quadrupoles and corrector magnets are assembled within complex quadrupole doublet modules (QDMs), combining two superconducting quadrupole (focusing and defocusing), sextupole and steering magnets in one cryostat. In addition a cryo-catcher, a beam position monitor and a cold beam pipe will be integrated. In accordance with the magnet lattice structure, the QDM series for the SIS100 consists of four main families composed of eleven different configurations. The common technical feature of all configurations is a sophisticated common girder structure, mechanically integrating all functional components in one cold mass and being suspended in a corresponding cryostat system. The requirements to position preservation during thermal cycling are to be fulfilled by a precise and stable support of the functional elements, as well as by a reliable, reproducible and stable cold mass suspension system. The main design aspects of the QDMs will be discussed as a result of these requirements.

  11. Nickel/carbon core/shell nanotubes: Lanthanum nickel alloy catalyzed synthesis, characterization and studies on their ferromagnetic and lithium-ion storage properties

    SciTech Connect

    Anthuvan Rajesh, John; Pandurangan, Arumugam; Senthil, Chenrayan; Sasidharan, Manickam

    2014-12-15

    Highlights: • Ni/CNTs core/shell structure was synthesized using LaNi{sub 5} alloy catalyst by CVD. • The magnetic and lithium-ion storage properties of Ni/CNTs structure were studied. • The specific Ni/CNTs structure shows strong ferromagnetic property with large coercivity value of 446.42 Oe. • Ni/CNTs structure shows enhanced electrochemical performance in terms of stable capacity and better rate capability. - Abstract: A method was developed to synthesize ferromagnetic nickel core/carbon shell nanotubes (Ni/CNTs) by chemical vapor deposition using Pauli paramagnetic lanthanum nickel (LaNi{sub 5}) alloy both as a catalyst and as a source for the Ni-core. The Ni-core was obtained through oxidative dissociation followed by hydrogen reduction during the catalytic growth of the CNTs. Transmission electron microscopy (TEM), selected area electron diffraction (SAED) and X-ray diffraction (XRD) analyses reveal that the Ni-core exists as a face centered cubic single crystal. The magnetic hysteresis loop of Ni/CNTs particle shows increased coercivity (446.42 Oe) than bulk Ni at room temperature. Furthermore, the Ni/CNTs core/shell particles were investigated as anode materials in lithium-ion batteries. The Ni/CNTs electrode delivered a high discharge capacity of 309 mA h g{sup −1} at 0.2 C, and a stable cycle-life, which is attributed to high structural stability of Ni/CNTs electrode during electrochemical lithium-ion insertion and de-insertion redox reactions.

  12. Quadrupole Moments of odd-A 53-63Mn: First use of optical pumping in the ISOLDE cooler/buncher

    NASA Astrophysics Data System (ADS)

    Babcock, Carla; Collaps Collaboration

    2016-09-01

    The technique of optical pumping has been used in the ISOLDE (CERN) cooler/buncher ion trap in order to study the previously inaccessible quadrupole moments of neutron-rich manganese ions via collinear laser spectroscopy. Previously, the insensitivity of the ground state atomic transitions to the quadrupole interaction prevented the determination of the electric quadrupole moment with any reasonable accuracy. Instead, a transition from an ionic metastable state was used and this state was populated via optical pumping. This was done in the bunching region of the ion trap, to allow multiple laser-ion interactions. Spectroscopic quadrupole moments were measured for the odd-even isotopes in the range 53-63Mn. They were compared to the predictions of three modern shell model effective interactions. The inclusion of both the 1 νg9 / 2 and 2 νd5 / 2 orbitals in the model space was thus shown to be necessary to reproduce the observed increase in the quadrupole deformation from N = 36 onwards. Specifically, the inclusion of the 2 νd5 / 2 orbital induces an increase in neutron and proton excitations across the proposed gaps at N = 40 and Z = 28 , leading to an increase in deformation in the more neutron-rich isotopes.

  13. Phenolic profiling of the skin, pulp and seeds of Albariño grapes using hybrid quadrupole time-of-flight and triple-quadrupole mass spectrometry.

    PubMed

    Di Lecce, Giuseppe; Arranz, Sara; Jáuregui, Olga; Tresserra-Rimbau, Anna; Quifer-Rada, Paola; Lamuela-Raventós, Rosa M

    2014-02-15

    This paper describes for the first time a complete characterisation of the phenolic compounds in different anatomical parts of the Albariño grape. The application of high-performance liquid chromatography coupled with two complementary techniques, hybrid quadrupole time-of-flight and triple-quadrupole mass spectrometry, allowed the phenolic composition of the Albariño grape to be unambiguously identified and quantified. A more complete phenolic profile was obtained by product ion and precursor ion scans, while a neutral loss scan at 152 u enabled a fast screening of procyanidin dimers, trimers and their galloylated derivatives. The compounds were confirmed by accurate mass measurements in QqToF-MS and QqToF-MS/MS modes at high resolution, and good fits were obtained for all investigated ions, with errors ranging from 0.2 to 4.5 mDa. To the best of our knowledge, two flavanol monomer hexosides were detected in the grape berry for the first time.

  14. Highly Ordered TiO2 Microcones with High Rate Performance for Enhanced Lithium-Ion Storage.

    PubMed

    Rhee, Oonhee; Lee, Gibaek; Choi, Jinsub

    2016-06-15

    The perpendicularly oriented anatase TiO2 microcones for Li-ion battery application were synthesized via anodization of a Ti foil in aqueous HF + H3PO4 solution. The TiO2 microcones exhibited a high active surface area with a hollow core depending on applied voltage and reaction time, confirmed by SEM, XRD and TEM with EDS mapping. Li insertion/desertion into TiO2 microcones was evaluated for the first time in half-cell configuration in terms of various current density and long-term cyclability. The electrochemical experiments demonstrated that the as-prepared TiO2 microcones as anode material exhibited 3 times higher capacity as compared with TiO2 nanotubular structures, excellent rate performance (0.054 mAhcm(-2) even at 50 C) and reliable capacity retention during 500 cycles, which was attributed to facile diffusion of Li-ions induced in hollow anatase TiO2 microcones structure with multilayered nanofragment.

  15. NMR Observation of Ferro-Quadrupole Order in PrTi2Al20

    NASA Astrophysics Data System (ADS)

    Taniguchi, Takanori; Yoshida, Makoto; Takeda, Hikaru; Takigawa, Masashi; Tsujimoto, Masaki; Sakai, Akito; Matsumoto, Yosuke; Nakatsuji, Satoru

    2016-11-01

    We report the results of 27Al-NMR measurements on a single crystal of PrTi2Al20. This compound shows a phase transition near 2 K associated with the quadrupole degree of freedom of Pr ions, for which the ground state of the crystalline electric field is a nonmagnetic doublet. When a magnetic field is applied along the <111> direction, the NMR lines split upon entering the low-temperature phase, indicating the breaking of the three fold rotation symmetry due to the field-induced magnetic dipole perpendicular to the field. This provides microscopic evidence for a ferro order of the O20 quadrupole. Although a first-order transition is expected theoretically, the line splitting evolves continuously within the experimental resolution.

  16. Nuclear electric quadrupole interactions in liquids entrapped in cavities

    NASA Astrophysics Data System (ADS)

    Furman, Gregory B.; Meerovich, Victor M.; Sokolovsky, Vladimir L.

    2016-12-01

    Liquids entrapped in cavities and containing quadrupole nuclei are considered. The interaction of the quadrupole moment of a nucleus with the electric field gradient is studied. In such a system, molecules are in both rotational and translational Brownian motions which are described by the diffusion equation. Solving this equation, we show that the intra- and intermolecular nuclear quadrupole interactions are averaged to zero in cavities with the size larger than several angstroms.

  17. Resonant laser ablation ion trap mass spectrometry -- Recent applications for chemical analysis

    SciTech Connect

    Gill, C.G.; Garrett, A.W.; Hemberger, P.H.; Nogar, N.S.

    1995-12-31

    Resonant Laser Ablation (RLA) is a useful ionization process for selectively producing gas phase ions from a solid sample. Recent use of RLA for mass spectrometry by this group and by others has produced a wealth of knowledge and useful analytical techniques. The method relies upon the focusing of modest intensity laser pulses ({le} 10{sup 7} W {center_dot} Cm{sup {minus}2}) upon a sample surface. A small quantity of material is vaporized, and atoms of desired analyte are subsequently ionized by (n + m) photon processes in the gas phase (where n = number of photons to a resonant transition and m = number of photons to exceed the ionization limit). The authors have been using (2 + 1) resonant ionization schemes for this work. Quadrupole ion trap mass spectrometry is realizing a very prominent role in current mass spectrometric research. Ion traps are versatile, powerful and extremely sensitive mass spectrometers, capable of a variety of ionization modes, MS{sup n} type experiments, high mass ranges and high resolution, all for a fraction of the cost of other instrumentation with similar capabilities. Quadrupole ion traps are ideally suited to pulsed ionization sources such as laser ionization methods, since their normal operational method (Mass Selective Instability) relies upon the storage of ions from a finite ionization period followed by ejection and detection of these ions based upon their mass to charge ratios. The paper describes selective ionization for trace atomic analysis, selective reagent ion source for ion chemistry investigations, and the analysis of ``difficult`` environmental contaminants, i.e., TBP.

  18. Magnetic mirror structure for testing shell-type quadrupole coils

    SciTech Connect

    Andreev, N.; Barzi, E.; Bossert, R.; Chlachidze, G.; Kashikhin, V.S.; Kashikhin, V.V.; Lamm, M.J.; Nobrega, F.; Novitski, I.; Tartaglia, N.; Turrioni, D.; /Fermilab

    2009-10-01

    This paper presents magnetic and mechanical designs and analyses of the quadrupole mirror structure to test single shell-type quadrupole coils. Several quadrupole coils made of different Nb{sub 3}Sn strands, cable insulation and pole materials were tested using this structure at 4.5 and 1.9 K. The coils were instrumented with voltage taps, spot heaters, temperature sensors and strain gauges to study their mechanical and thermal properties and quench performance. The results of the quadrupole mirror model assembly and test are reported and discussed.

  19. ANALYTICAL SOLUTIONS OF SINGULAR ISOTHERMAL QUADRUPOLE LENS

    SciTech Connect

    Chu Zhe; Lin, W. P.; Yang Xiaofeng E-mail: linwp@shao.ac.cn

    2013-06-20

    Using an analytical method, we study the singular isothermal quadrupole (SIQ) lens system, which is the simplest lens model that can produce four images. In this case, the radial mass distribution is in accord with the profile of the singular isothermal sphere lens, and the tangential distribution is given by adding a quadrupole on the monopole component. The basic properties of the SIQ lens have been studied in this Letter, including the deflection potential, deflection angle, magnification, critical curve, caustic, pseudo-caustic, and transition locus. Analytical solutions of the image positions and magnifications for the source on axes are derived. We find that naked cusps will appear when the relative intensity k of quadrupole to monopole is larger than 0.6. According to the magnification invariant theory of the SIQ lens, the sum of the signed magnifications of the four images should be equal to unity, as found by Dalal. However, if a source lies in the naked cusp, the summed magnification of the left three images is smaller than the invariant 1. With this simple lens system, we study the situations where a point source infinitely approaches a cusp or a fold. The sum of the magnifications of the cusp image triplet is usually not equal to 0, and it is usually positive for major cusps while negative for minor cusps. Similarly, the sum of magnifications of the fold image pair is usually not equal to 0 either. Nevertheless, the cusp and fold relations are still equal to 0 in that the sum values are divided by infinite absolute magnifications by definition.

  20. Precise calculations of the deuteron quadrupole moment

    SciTech Connect

    Gross, Franz L.

    2016-06-01

    Recently, two calculations of the deuteron quadrupole moment have have given predictions that agree with the measured value to within 1%, resolving a long-standing discrepancy. One of these uses the covariant spectator theory (CST) and the other chiral effective field theory (cEFT). In this talk I will first briefly review the foundations and history of the CST, and then compare these two calculations with emphasis on how the same physical processes are being described using very different language. The comparison of the two methods gives new insights into the dynamics of the low energy NN interaction.

  1. Nuclear quadrupole resonance echoes from hexamethylenetetramine.

    PubMed

    Ota, Go; Itozaki, Hideo

    2006-10-01

    We investigated the echo phenomenon of nuclear quadrupole resonance (NQR) from hexamethylenetetramine (HMT). We detected the pure NQR echo signal of HMT with a short pulse interval. The intensity of the echo signal increased as the pulse interval time was decreased. We observed that a clean echo signal was generated even when the pulse interval was shorter than the decay time constant T(2)(*). Since the short interval time gives a strong echo, our result insists that shorter interval time is preferred for the NQR detection.

  2. The Pipe-Quadrupole, an Alternative for High Gradient Interaction Region Quadrupole Designs

    SciTech Connect

    Oort, J.M. van; Scanlan, R.M.

    1996-12-12

    In the design of interaction region (IR) quadrupoles for high luminosity colliders such as the LHC or a possible upgrade of the Tevatron, the radiation heating of the coil windings is an important issue. Two obvious solutions to this problem can be chosen. The first is to reduce the heat load by added shielding, increased cooling with fins or using Nb{sub 3}Sn to increase the temperature margin. The second solution eliminates the conductor from the areas with the highest radiation intensity, which are located on the symmetry-axes of the midplanes of the coils. A novel quadrupole design is presented, in which the conductor is wound on four half-moon shaped supports, forming elongated toroid sections. The assembly of the four shapes yields a quadrupole field with an active flux return path, and a void in the high radiation area. This void can be occupied by a liquid helium cooling pipe to lower the temperature of the windings from the inside. The coil layout, harmonic optimization and mechanical design are shown, together with the calculated temperature rise for the radiation load of the LHC interaction region quadrupoles.

  3. Performance evaluation of 24 ion exchange materials for removing cesium and strontium from actual and simulated N-Reactor storage basin water

    SciTech Connect

    Brown, G.N.; Carson, K.J.; DesChane, J.R.; Elovich, R.J.

    1997-09-01

    This report describes the evaluation of 24 organic and inorganic ion exchange materials for removing cesium and strontium from actual and simulated waters from the 100 Area 105 N-Reactor fuel storage basin. The data described in this report can be applied for developing and evaluating ion exchange pre-treatment process flowsheets. Cesium and strontium batch distribution ratios (K{sub d}`s), decontamination factors (DF), and material loadings (mmol g{sup -1}) are compared as a function of ion exchange material and initial cesium concentration. The actual and simulated N-Basin waters contain relatively low levels of aluminum, barium, calcium, potassium, and magnesium (ranging from 8.33E-04 to 6.40E-05 M), with slightly higher levels of boron (6.63E-03 M) and sodium (1.62E-03 M). The {sup 137}Cs level is 1.74E-06 Ci L-{sup 1} which corresponds to approximately 4.87E-10 M Cs. The initial Na/Cs ratio was 3.33E+06. The concentration of total strontium is 4.45E-06 M, while the {sup 90}Sr radioactive component was measured to be 6.13E-06 Ci L{sup -1}. Simulant tests were conducted by contacting 0.067 g or each ion exchange material with approximately 100 mL of either the actual or simulated N-Basin water. The simulants contained variable initial cesium concentrations ranging from 1.00E-04 to 2.57E- 10 M Cs while all other components were held constant. For all materials, the average cesium K{sub d} was independent of cesium concentration below approximately 1.0E-06 M. Above this level, the average cesium K{sub d} values decreased significantly. Cesium K{sub d} values exceeding 1.0E+07 mL g{sup -1} were measured in the simulated N-Basin water. However, when measured in the actual N-Basin water the values were several orders of magnitude lower, with a maximum of 1.24E+05 mL g{sup -1} observed.

  4. CesrTA Retarding Field Analyzer Measurements in Drifts, Dipoles, Quadrupoles and Wigglers

    SciTech Connect

    Calvey, J.R.; Li, Y.; Livezey, J.A.; Makita, J.; Meller, R.E.; Palmer, M.A.; Schwartz, R.M.; Strohman, C.R.; Harkay, K.; Calatroni, S.; Rumolo, G.; Kanazawa, K.; Suetsugu, Y.; Pivi, M.; Wang, L.; /SLAC

    2010-06-15

    Over the course of the CesrTA program, the Cornell Electron Storage Ring (CESR) has been instrumented with several retarding field analyzers (RFAs), which measure the local density and energy distribution of the electron cloud. These RFAs have been installed in drifts, dipoles, quadrupoles, and wigglers; and data have been taken in a variety of beam conditions and bunch configurations. This paper will provide an overview of these results, and give a preliminary evaluation of the efficacy of cloud mitigation techniques implemented in the instrumented vacuum chambers.

  5. Green Template-Free Synthesis of Hierarchical Shuttle-Shaped Mesoporous ZnFe2 O4 Microrods with Enhanced Lithium Storage for Advanced Li-Ion Batteries.

    PubMed

    Hou, Linrui; Hua, Hui; Lian, Lin; Cao, Hui; Zhu, Siqi; Yuan, Changzhou

    2015-09-07

    In the work, a facile and green two-step synthetic strategy was purposefully developed to efficiently fabricate hierarchical shuttle-shaped mesoporous ZnFe2 O4 microrods (MRs) with a high tap density of ∼0.85 g cm(3) , which were assembled by 1D nanofiber (NF) subunits, and further utilized as a long-life anode for advanced Li-ion batteries. The significant role of the mixed solvent of glycerin and water in the formation of such hierarchical mesoporous MRs was systematically investigated. After 488 cycles at a large current rate of 1000 mA g(-1) , the resulting ZnFe2 O4 MRs with high loading of ∼1.4 mg per electrode still preserved a reversible capacity as large as ∼542 mAh g(-1) . Furthermore, an initial charge capacity of ∼1150 mAh g(-1) is delivered by the ZnFe2 O4 anode at 100 mA g(-1) , resulting in a high Coulombic efficiency of ∼76 % for the first cycle. The superior Li-storage properties of the as-obtained ZnFe2 O4 were rationally associated with its mesoprous micro-/nanostructures and 1D nanoscaled building blocks, which accelerated the electron transportation, facilitated Li(+) transfer rate, buffered the large volume variations during repeated discharge/charge processes, and provided rich electrode-electrolyte sur-/interfaces for efficient lithium storage, particularly at high rates.

  6. Metastable Marcasite-FeS2 as a New Anode Material for Lithium Ion Batteries: CNFs-Improved Lithiation/Delithiation Reversibility and Li-Storage Properties.

    PubMed

    Fan, Hong-Hong; Li, Huan-Huan; Huang, Ke-Cheng; Fan, Chao-Ying; Zhang, Xiao-Ying; Wu, Xing-Long; Zhang, Jing-Ping

    2017-03-14

    Marcasite (m-FeS2) exhibits higher electronic conductivity than that of pyrite (p-FeS2) because of its lower semiconducting gap (0.4 vs 0.7 eV). Meanwhile, as demonstrates stronger Fe-S bonds and less S-S interactions, the m-FeS2 seems to be a better choice for electrode materials compared to p-FeS2. However, the m-FeS2 has been seldom studied due to its sophisticated synthetic methods until now. Herein, a hierarchical m-FeS2 and carbon nanofibers composite (m-FeS2/CNFs) with grape-cluster structure was designed and successfully prepared by a straightforward hydrothermal method. When evaluated as an electrode material for lithium ion batteries, the m-FeS2/CNFs exhibited superior lithium storage properties with a high reversible capacity of 1399.5 mAh g(-1) after 100 cycles at 100 mA g(-1) and good rate capability of 782.2 mAh g(-1) up to 10 A g(-1). The Li-storage mechanism for the lithiation/delithiation processes of m-FeS2/CNFs was systematically investigated by ex situ powder X-ray diffraction patterns and scanning electron microscopy. Interestingly, the hierarchical m-FeS2 microspheres assembled by small FeS2 nanoparticles in the m-FeS2/CNFs composite converted into a mimosa with leaves open shape during Li(+) insertion process and vice versa. Accordingly, a "CNFs accelerated decrystallization-recrystallization" mechanism was proposed to explain such morphology variations and the decent electrochemical performance of m-FeS2/CNFs.

  7. Trapping of Electron Cloud LLC/Cesrta Quadrupole and Sextupole Magnets

    SciTech Connect

    Wang, L; Pivi, M.; /SLAC

    2011-08-18

    The Cornell Electron Storage Ring (CESR) has been reconfigured as an ultra low emittance damping ring for use as a test accelerator (CesrTA) for International Linear Collider (ILC) damping ring R&D [1]. One of the primary goals of the CesrTA program is to investigate the interaction of the electron cloud with low emittance positron beam to explore methods to suppress the electron cloud, develop suitable advanced instrumentation required for these experimental studies and benchmark predictions by simulation codes. This paper reports the simulation of the electron-cloud formation in CESRTA and ILC quadrupole and sextupole magnets using the 3D code CLOUDLAND. We found that electrons can be trapped with a long lifetime in a quadrupole and sextupole magnet due to the mirror field trapping mechanism. We study the effects of magnet strength, bunch current, ante-chamber effect, bunch spacing effect and secondary emission yield (SEY) in great detail. The development of an electron cloud in magnets is the main concern where a weak solenoid field is not effective. Quadrupole and sextupole magnets have mirror field configurations which may trap electrons by the mirror field trapping mechanism [2]. Fig.1 shows the orbit of a trapped electron in a quadrupole magnet. The electron makes gyration motion (called transverse motion) and also moves along the field line (called longitudinal motion). At the mirror point (middle of the field line), there is a maximum longitudinal energy and minimum transverse energy. When the electron moves away from the mirror point, its longitudinal energy reduces and the transverse energy increases as the magnetic field increases. If the magnetic field is strong enough, the longitudinal energy becomes zero at one point and then the electron is turned back by the strong field. Note that the electrons are trapped in the region near the middle of the field lines. Although all quadrupole and sextupole magnets can trap electrons in principle, the trapping

  8. Magnetic quench antenna for MQXF quadrupoles

    DOE PAGES

    Marchevsky, Maxim; Sabbi, GianLuca; Prestemon, Soren; ...

    2016-12-21

    High-field MQXF-series quadrupoles are presently under development by LARP and CERN for the upcoming LHC luminosity upgrade. Quench training and protection studies on MQXF prototypes require a capability to accurately localize quenches and measure their propagation velocity in the magnet coils. The voltage tap technique commonly used for such purposes is not a convenient option for the 4.2-m-long MQXF-A prototype, nor can it be implemented in the production model. We have developed and tested a modular inductive magnetic antenna for quench localization. The base element of our quench antenna is a round-shaped printed circuit board containing two orthogonal pairs ofmore » flat coils integrated with low-noise preamplifiers. The elements are aligned axially and spaced equidistantly in 8-element sections using a supporting rod structure. The sections are installed in the warm bore of the magnet, and can be stacked together to adapt for the magnet length. We discuss the design, operational characteristics and preliminary qualification of the antenna. Lastly, axial quench localization capability with an accuracy of better than 2 cm has been validated during training test campaign of the MQXF-S1 quadrupole.« less

  9. Magnetic quench antenna for MQXF quadrupoles

    SciTech Connect

    Marchevsky, Maxim; Sabbi, GianLuca; Prestemon, Soren; Strauss, Thomas; Stoynev, Stoyan; Chlachidze, Guram

    2016-12-21

    High-field MQXF-series quadrupoles are presently under development by LARP and CERN for the upcoming LHC luminosity upgrade. Quench training and protection studies on MQXF prototypes require a capability to accurately localize quenches and measure their propagation velocity in the magnet coils. The voltage tap technique commonly used for such purposes is not a convenient option for the 4.2-m-long MQXF-A prototype, nor can it be implemented in the production model. We have developed and tested a modular inductive magnetic antenna for quench localization. The base element of our quench antenna is a round-shaped printed circuit board containing two orthogonal pairs of flat coils integrated with low-noise preamplifiers. The elements are aligned axially and spaced equidistantly in 8-element sections using a supporting rod structure. The sections are installed in the warm bore of the magnet, and can be stacked together to adapt for the magnet length. We discuss the design, operational characteristics and preliminary qualification of the antenna. Lastly, axial quench localization capability with an accuracy of better than 2 cm has been validated during training test campaign of the MQXF-S1 quadrupole.

  10. Explosives detection with quadrupole resonance analysis

    NASA Astrophysics Data System (ADS)

    Rayner, Timothy J.; Thorson, Benjamin D.; Beevor, Simon; West, Rebecca; Krauss, Ronald A.

    1997-02-01

    The increase in international terrorist activity over the past decade has necessitated the exploration of new technologies for the detection of plastic explosives. Quadrupole resonance analysis (QRA) has proven effective as a technique for detecting the presence of plastic, sheet, and military explosive compounds in small quantities, and can also be used to identify narcotics such as heroin and cocaine base. QRA is similar to the widely used magnetic resonance (MR) and magnetic resonance imaging (MRI) techniques, but has the considerable advantage that the item being inspected does not need to be immersed in a steady, homogeneous magnetic field. The target compounds are conclusively identified by their unique quadrupole resonance frequencies. Quantum magnetics has develop and introduced a product line of explosives and narcotics detection devices based upon QRA technology. The work presented here concerns a multi-compound QRA detection system designed to screen checked baggage, cargo, and sacks of mail at airports and other high-security facilities. The design philosophy and performance are discussed and supported by test results from field trials conducted in the United States and the United Kingdom. This detection system represents the current state of QRA technology for field use in both commercial and government sectors.

  11. Consistent quadrupole-octupole collective model

    NASA Astrophysics Data System (ADS)

    Dobrowolski, A.; Mazurek, K.; Góźdź, A.

    2016-11-01

    Within this work we present a consistent approach to quadrupole-octupole collective vibrations coupled with the rotational motion. A realistic collective Hamiltonian with variable mass-parameter tensor and potential obtained through the macroscopic-microscopic Strutinsky-like method with particle-number-projected BCS (Bardeen-Cooper-Schrieffer) approach in full vibrational and rotational, nine-dimensional collective space is diagonalized in the basis of projected harmonic oscillator eigensolutions. This orthogonal basis of zero-, one-, two-, and three-phonon oscillator-like functions in vibrational part, coupled with the corresponding Wigner function is, in addition, symmetrized with respect to the so-called symmetrization group, appropriate to the collective space of the model. In the present model it is D4 group acting in the body-fixed frame. This symmetrization procedure is applied in order to provide the uniqueness of the Hamiltonian eigensolutions with respect to the laboratory coordinate system. The symmetrization is obtained using the projection onto the irreducible representation technique. The model generates the quadrupole ground-state spectrum as well as the lowest negative-parity spectrum in 156Gd nucleus. The interband and intraband B (E 1 ) and B (E 2 ) reduced transition probabilities are also calculated within those bands and compared with the recent experimental results for this nucleus. Such a collective approach is helpful in searching for the fingerprints of the possible high-rank symmetries (e.g., octahedral and tetrahedral) in nuclear collective bands.

  12. Detection of potato storage disease via gas analysis: a pilot study using field asymmetric ion mobility spectrometry.

    PubMed

    Rutolo, Massimo; Covington, James A; Clarkson, John; Iliescu, Daciana

    2014-08-28

    Soft rot is a commonly occurring potato tuber disease that each year causes substantial losses to the food industry. Here, we explore the possibility of early detection of the disease via gas/vapor analysis, in a laboratory environment, using a recent technology known as FAIMS (Field Asymmetric Ion Mobility Spectrometry). In this work, tubers were inoculated with a bacterium causing the infection, Pectobacterium carotovorum, and stored within set environmental conditions in order to manage disease progression. They were compared with controls stored in the same conditions. Three different inoculation time courses were employed in order to obtain diseased potatoes showing clear signs of advanced infection (for standard detection) and diseased potatoes with no apparent evidence of infection (for early detection). A total of 156 samples were processed by PCA (Principal Component Analysis) and k-means clustering. Results show a clear discrimination between controls and diseased potatoes for all experiments with no difference among observations from standard and early detection. Further analysis was carried out by means of a statistical model based on LDA (Linear Discriminant Analysis) that showed a high classification accuracy of 92.1% on the test set, obtained via a LOOCV (leave-one out cross-validation).

  13. Unicell structure for superconducting storage rings

    SciTech Connect

    Danby, G.; DeVito, B.; Jackson, J.; Keohane, G.; Lee, Y.Y.; Phillips, R.; Plate, S.; Repeta, L.; Skaritka, J.; Smith, L.

    1985-01-01

    Mechanically integrated, magnetically decoupled storage rings were designed for a heavy ion collider for 100 GeV/amu Au, at B = 2.7T. New concepts were developed, including detailed engineering design and cost estimates. A ''unicell'' contains a half-cell of both rings within a single He vessel. The unicell design is optimized for economical mass production. Survey pads welded to the laminations provide external fiducials to locate the magnet cores. Roller bearing self aligning supports accommodate cool-down shrinkage. The design tolerates relative motion of components resulting from longitudinal shrinkage in the approx.15 m long unicell without affecting performance. Magnetic and physical lengths are the same, eliminating waste space. ''Achromatic'' quadrupoles with sextupoles at both ends are located on a common precision beam tube which aligns and supports a pick-up electrode. The unicell accommodates longer dipoles compared to conventional designs, reducing B/sub max/, stored energy, and the volume of iron and superconductor. Applications to future machines will be discussed.

  14. Energy Storage.

    ERIC Educational Resources Information Center

    Eaton, William W.

    Described are technological considerations affecting storage of energy, particularly electrical energy. The background and present status of energy storage by batteries, water storage, compressed air storage, flywheels, magnetic storage, hydrogen storage, and thermal storage are discussed followed by a review of development trends. Included are…

  15. Monopole, Quadrupole and Pairing: a Shell Model View

    NASA Astrophysics Data System (ADS)

    Zuker, A. P.

    The three main contributions to the nuclear Hamiltonian-monopole, quadrupole and pairing - are analyzed in a shell model context. The first has to be treated phenomenologically, while the other two can be reliably extracted from the realistic interactions. Due to simple scaling properties, the realistic quadrupole and pairing interactions eliminate the tendency to collapse of their conventional counterparts, while retaining their basic simplicity.

  16. Electrostatic quadrupole focused particle accelerating assembly with laminar flow beam

    DOEpatents

    Maschke, Alfred W.

    1985-01-01

    A charged particle accelerating assembly provided with a predetermined ratio of parametric structural characteristics and with related operating voltages applied to each of its linearly spaced focusing and accelerating quadrupoles, thereby to maintain a particle beam traversing the electrostatic fields of the quadrupoles in the assembly in an essentially laminar flow throughout the assembly.

  17. Commissioning a Vibrating Wire System for Quadrupole Fiducialization

    SciTech Connect

    Levashov, Michael Y

    2010-12-03

    Quadrupoles will be placed between the undulator segments in LCLS to keep the electron beam focused as it passes through. The quadrupoles will be assembled with their respective undulator segments prior to being placed into the tunnel. Beam alignment will be used to center the quadrupoles, along with the corresponding undulators, on the beam. If there is any displacement between the undulator and the quadrupole axes in the assemblies, the beam will deviate from the undulator axis. If it deviates by more than 80{micro}m in vertical or 140{micro}m in horizontal directions, the undulator will not perform as required by LCLS. This error is divided between three sources: undulator axis fiducialization, quadrupole magnetic axis fiducialization, and assembly of the two parts. In particular, it was calculated that the quadrupole needs to be fiducialized to within 25{micro}m in both vertical and horizontal directions. A previous study suggested using a vibrating wire system for finding the magnetic axis of the quadrupoles. The study showed that the method has high sensitivity (up to 1{micro}m) and laid out guidelines for constructing such a system. There are 3 steps in fiducializing the quadrupole with the vibrating wire system. They are positioning the wire at the magnet center (step 1), finding the wire with position detectors (step 2), and finding the quadrupole tooling ball positions relative to the position detector tooling balls (step 3). A previous study investigated the error associated with each step by using a permanent quadrupole magnet on an optical mover system. The study reported an error of 11{micro}m for step 1 and a repeatability of 4{micro}m for step 2. However, the set up used a FARO arm to measure tooling balls and didn't allow to accurately check step 2 for errors; an uncertainty of 100{micro}m was reported. Therefore, even though the repeatability was good, there was no way to check that the error in step 2 was small. Following the recommendations of

  18. Synergistic Ternary Composite (Carbon/Fe3 O4 @Graphene) with Hollow Microspherical and Robust Structure for Li-Ion Storage.

    PubMed

    Li, Xingxing; Zheng, Xueying; Shao, Jie; Gao, Tian; Shi, Qiang; Qu, Qunting

    2016-01-04

    The electrode materials with hollow structure and/or graphene coating are expected to exhibit outstanding electrochemical performances in energy-storage systems. 2D graphene-wrapped hollow C/Fe3 O4 microspheres are rationally designed and fabricated by a novel facile and scalable strategy. The core@double-shell structure SPS@FeOOH@GO (SPS: sulfonated polystyrene, GO: graphene oxide) microspheres are first prepared through a simple one-pot approach and then transformed into C/Fe3 O4 @G (G: graphene) after calcination at 500 °C in Ar. During calcination, the Kirkendall effect resulting from the diffusion/reaction of SPS-derived carbon and FeOOH leads to the formation of hollow structure carbon with Fe3 O4 nanoparticles embedded in it. In the rationally constructed architecture of C/Fe3 O4 @G, the strongly coupled C/Fe3 O4 hollow microspheres are further anchored onto 2D graphene networks, achieving a strong synergetic effect between carbon, Fe3 O4 , and graphene. As an anode material of Li-ion batteries (LIBs), C/Fe3 O4 @G manifests a high reversible capacity, excellent rate behavior, and outstanding long-term cycling performance (1208 mAh g(-1) after 200 cycles at 100 mA g(-1) ).

  19. Highly Efficient Storage of Pulse Energy Produced by Triboelectric Nanogenerator in Li3V2(PO4)3/C Cathode Li-Ion Batteries.

    PubMed

    Nan, Xihui; Zhang, Changkun; Liu, Chaofeng; Liu, Mengmeng; Wang, Zhong Lin; Cao, Guozhong

    2016-01-13

    Triboelectric nanogenerator (TENG) has been considered as a new type of energy harvesting technology, which employs the coupling effects of triboelectrification and electrostatic induction. One key factor having limited its application is the energy storage. In this work, a high performance Li3V2(PO4)3/C material synthesized by low-cost hydrothermal method followed with subsequent annealing treatment was studied to efficiently store the power generated by a radial-arrayed rotary TENG. Not only does the Li3V2(PO4)3/C exhibit a discharge capacity of 128 mAh g(-1) at 1 C with excellent cyclic stability (capacity retention is 90% after 1000 cycles at a rate of 5 C) in Li-ion battery, but also shows outstanding energy conversion efficiency (83.4%) compared with the most popular cathodic materials: LiFePO4 (74.4%), LiCoO2 (66.1%), and LiMn2O4 (73.6%) when it was charged by high frequency and large current electricity directly from by TENG.

  20. Pseudocapacitive Na-Ion Storage Boosts High Rate and Areal Capacity of Self-Branched 2D Layered Metal Chalcogenide Nanoarrays.

    PubMed

    Chao, Dongliang; Liang, Pei; Chen, Zhen; Bai, Linyi; Shen, He; Liu, Xiaoxu; Xia, Xinhui; Zhao, Yanli; Savilov, Serguei V; Lin, Jianyi; Shen, Ze Xiang

    2016-11-22

    The abundant reserve and low cost of sodium have provoked tremendous evolution of Na-ion batteries (SIBs) in the past few years, but their performances are still limited by either the specific capacity or rate capability. Attempts to pursue high rate ability with maintained high capacity in a single electrode remains even more challenging. Here, an elaborate self-branched 2D SnS2 (B-SnS2) nanoarray electrode is designed by a facile hot bath method for Na storage. This interesting electrode exhibits areal reversible capacity of ca. 3.7 mAh cm(-2) (900 mAh g(-1)) and rate capability of 1.6 mAh cm(-2) (400 mAh g(-1)) at 40 mA cm(-2) (10 A g(-1)). Improved extrinsic pseudocapacitive contribution is demonstrated as the origin of fast kinetics of an alloying-based SnS2 electrode. Sodiation dynamics analysis based on first-principles calculations, ex-situ HRTEM, in situ impedance, and in situ Raman technologies verify the S-edge effect on the fast Na(+) migration and reversible and sensitive structure evolution during high-rate charge/discharge. The excellent alloying-based pseudocapacitance and unsaturated edge effect enabled by self-branched surface nanoengineering could be a promising strategy for promoting development of SIBs with both high capacity and high rate response.

  1. Bivalence Mn5O8 with hydroxylated interphase for high-voltage aqueous sodium-ion storage

    SciTech Connect

    Shan, Xiaoqiang; Charles, Daniel S.; Lei, Yinkai; Qiao, Ruimin; Wang, Guofeng; Yang, Wanli; Feygenson, Mikhail; Su, Dong; Teng, Xiaowei

    2016-11-15

    Aqueous electrochemical energy storage devices have attracted significant attention owing to their high safety, low cost and environmental friendliness. However, their applications have been limited by a narrow potential window (~1.23 V), beyond which the hydrogen and oxygen evolution reactions occur. Here we report the formation of layered Mn5O8 pseudocapacitor electrode material with a well-ordered hydroxylated interphase. A symmetric full cell using such electrodes demonstrates a stable potential window of 3.0 V in an aqueous electrolyte, as well as high energy and power performance, nearly 100% coulombic efficiency and 85% energy efficiency after 25,000 charge–discharge cycles. Furthermore, the interplay between hydroxylated interphase on the surface and the unique bivalence structure of Mn5O8 suppresses the gas evolution reactions, offers a two-electron charge transfer via Mn2+/Mn4+ redox couple, and provides facile pathway for Na-ion transport via intra-/inter-layer defects of Mn5O8.

  2. Conversion of uniform graphene oxide/polypyrrole composites into functionalized 3D carbon nanosheet frameworks with superior supercapacitive and sodium-ion storage properties

    NASA Astrophysics Data System (ADS)

    Wang, Huanwen; Zhang, Yu; Sun, Wenping; Tan, Hui Teng; Franklin, Joseph B.; Guo, Yuanyuan; Fan, Haosen; Ulaganathan, Mani; Wu, Xing-Long; Luo, Zhong-Zhen; Madhavi, Srinivasan; Yan, Qingyu

    2016-03-01

    Two-dimensional (2D) graphene oxide/polypyrrole (GO/PPy) hybrid materials derived from in-situ polymerization are used as precursors for constructing functionalized three-dimensional (3D) porous nitrogen-doped carbon nanosheet frameworks (FT-PNCNFs) through a one-step activation strategy. In the formation process of FT-PNCNFs, PPY is directly converted into hierarchical porous nitrogen-doped carbon layers, while GO is simultaneously reduced to become electrically conductive. The complementary functions of individual components endow the FT-PNCNFs with excellent properties for both supercapacitors (SCs) and sodium ion batteries (SIBs) applications. When tested in symmetrical SC, the FT-PNCNFs demonstrate superior energy storage behaviour. At an extremely high scan rate of 3000 mV s-1, the cyclic voltammetry (CV) curve retains an inspiring quasi-rectangle shape in KOH solution. Meanwhile, high capacitances (∼247 F g-1 at 10 mV s-1; ∼146 F g-1 at 3000 mV s-1) and good cycling stability (∼95% retention after 8000 cycles) are achieved. In addition, an attractive SIB anode performance could be achieved. The FT-PNCNFs electrode delivers a reversible capacity of 187 mAh g-1 during 160th cycle at 100 mA g-1. Its reversible capacity retains 144 mAh g-1 after extending the number of cycles to 500 at 500 mA g-1.

  3. New Approach to Create TiO2(B)/Carbon Core/Shell Nanotubes: Ideal Structure for Enhanced Lithium Ion Storage.

    PubMed

    Zhu, Xiaoyi; Yang, Xianfeng; Lv, Chunxiao; Guo, Shaojun; Li, Jianjiang; Zheng, Zhanfeng; Zhu, Huaiyong; Yang, Dongjiang

    2016-07-27

    To achieve uniform carbon coating on TiO2 nanomaterials, high temperature (>500 °C) annealing treatment is a necessity. However, the annealing treatment inevitably leads to the strong phase transformation from TiO2(B) with high lithium ion storage (LIS) capacity to anatase with low LIS one as well as the damage of nanostructures. Herein, we demonstrate a new approach to create TiO2(B)/carbon core/shell nanotubes (C@TBNTs) using a long-chain silane polymethylhydrosiloxane (PMHS) to bind the TBNTs by forming Si-O-Ti bonds. The key feature of this work is that the introduction of PMHS onto TBNTs can afford TBNTs with very high thermal stability at higher than 700 °C and inhibit the phase transformation from TiO2(B) to anatase. Such a high thermal property of PMHS-TBNTs makes them easily coated with highly graphitic carbon shell via CVD process at 700 °C. The as-prepared C@TBNTs deliver outstanding rate capability and electrochemical stability, i.e., reversible capacity above 250 mAh g(-1) at 10 C and a high specific capacity of 479.2 mAh g(-1) after 1000 cycles at 1 C. As far as we know, the LIS performance of our sample is the highest among the previously reported TiO2(B) anode materials.

  4. Characteristics of a 85Kr beta-particle source applied in Series 1 reference irradiations of DIS-1 direct ion storage dosemeters.

    PubMed

    Hakanen, A T; Sipilä, P M; Sahla, T T

    2007-01-01

    Characteristics necessary to specify an ISO 6980 Series 1 reference radiation field were determined for a commercially available 85Kr beta-particle source, using a BEAM EGS4 Monte Carlo code. The characteristics include residual maximum beta energy, E(res), and the uniformity of the dose rate over the calibration area. The E(res) and the uniformity were also determined experimentally, using an extrapolation ionization chamber (EC) and a 0.2 cm3 parallel plate ionization chamber, respectively. The depth-dose curve measured with the EC gave a value 0.62 MeV for the E(res). Series 2 90Sr + 90Y and Series 1(85) Kr beta-particle sources calibrated for H(p)(0.07) at the secondary standard dosimetry laboratory (SSDL) of STUK were used to determine the energy and angular responses of DIS-1 direct ion storage dosemeters. The averaged zero angle H(p)(0.07) responses to the 90Sr + 90Y and 85Kr reference radiations were 135 and 80%, respectively. The responses were normalized to 100%, H(p)(0.07) response to 137Cs photon radiation.

  5. Development of a Green Soft Chemical Method for the Synthesis of Cathode Materials Utilized in Lithium-ion Energy Storage Technologies

    NASA Astrophysics Data System (ADS)

    Wicker, Scott Ambrose

    The statement of the problem is to develop an environmental friendly, cost effective cathode material with the technical requirements to withstand the energy demand of directly storing electricity for the uses in today society. The author solved the problem by designing a water soluble, thermally stable organic moiety that is used as fuel and a template in the low temperature solution combustion synthesis of cathode materials utilized in lithium-ion energy storage devices. The Green Soft Chemical method (MADHAMS) is a useful alternative solution-combustion method for the synthesis of highly pure, fine-sized, spherical & cubic cathode powders. With the global demand pushing industrial applications toward green chemistry, we developed this technique with environmental friendly solvents. This MADHAMS method would fall within the "Self-Propagation Combustion Synthesis (SPCS)" family. SPCS is a family of methods that utilize metal nitrates as conventional oxidants and organic compounds as fuels. As the nitrate decomposes and the fuel is oxidized, energy is released into the local system as heat energy. The energy can be controlled by the metal-ion-to-fuel ratio. As part of this study, the properties and characteristics of the cathode powders prepared by a green soft chemical method are extensively investigated. This report also describes the non-isothermal investigation of the dependence of the activation energy on the extent of conversion of lithium cobalt dioxide using the iso-conversional method of Friedman. Lithium cobalt dioxide was prepared by the direct reaction of lithium carbonate and cobalt oxide. Cobalt oxide was prepared from the thermal decomposition of Cobalt (II) propenoate so that the starting materials used in the kinetic investigation would closely resemble or represent the natural decomposition products that are produced during the green soft chemical synthetic methods. The kinetic analysis of the variation in Ealpha with alpha revealed that this

  6. Synchrotron Tune Adjustment by Longitudinal Motion of Quadrupoles

    NASA Astrophysics Data System (ADS)

    Bertsche, K. J.

    1996-05-01

    Adjustment of the tune of a synchrotron is generally accomplished by globally varying the strength of quadrupoles, either in the main quadrupole bus or in a set of dedicated trim quadrupoles distributed around the ring. An alternate scheme for tune control involves varying the strengths of quadrupoles only within a local insert, thereby adjusting the phase advance across this insert to create a "phase trombone." In a synchrotron built of permanent magnets, such as the proposed Fermilab Recycler Ring, tune adjustment may also be accomplished by constructing a phase trombone in which the longitudinal position rather than strength of a number of quadrupoles is adjusted. Design philosophies and performance for such phase trombones will be presented. *Operated by Universities Research Association, Inc., under contract with the US. Department of Energy.

  7. Double-photoionization of helium including quadrupole radiation effects

    SciTech Connect

    Colgan, James; Ludlow, J A; Lee, Teck - Ghee; Pindzola, M S; Robicheaux, F

    2009-01-01

    Non-perturbative time-dependent close-coupling calculations are carried out for the double photoionization of helium including both dipole and quadrupole radiation effects. At a photon energy of 800 eV, accessible at CUlTent synchrotron light sources, the quadrupole interaction contributes around 6% to the total integral double photoionization cross section. The pure quadrupole single energy differential cross section shows a local maxima at equal energy sharing, as opposed to the minimum found in the pure dipole single energy differential cross section. The sum of the pure dipole and pure quadrupole single energy differentials is insensitive to non-dipole effects at 800 eV. However, the triple differential cross section at equal energy sharing of the two ejected electrons shows strong non-dipole effects due to the quadrupole interaction that may be experimentally observable.

  8. Miniature mass spectrometer systems based on a microengineered quadrupole filter.

    PubMed

    Malcolm, Andrew; Wright, Steven; Syms, Richard R A; Dash, Neil; Schwab, Marc-André; Finlay, Alan

    2010-03-01

    Two miniature mass spectrometer systems based on a microengineered quadrupole mass filter have been developed. One of the instruments has a footprint of 27 cm x 20 cm and is intended for laboratory use when space is at a premium. The other is portable and intended for use in the field. It is battery powered, weighs 14.9 kg, and is housed in a rugged case. This is the first example of a portable mass spectrometer incorporating an analyzer fabricated using microelectromechanical systems (MEMS) techniques. The starting material for construction of the filters is a bonded silicon on insulator substrate, which is selectively etched using batch processing techniques to form coupling optics and springs that accurately hold 0.5 mm diameter stainless steel rods in the required geometry. Assembled filters measure 35 mm x 6 mm x 1.5 mm and are mounted, together with an ion source and channeltron detector, in small, interchangeable cartridges, which plug into a 220 cm(3) vacuum chamber. Recovery from accidental contamination or when servicing is required can be achieved within 5-10 min, as the cartridge is easily exchanged with a spare. A potential application to environmental monitoring has been investigated. The headspace above water spiked with dibutyl mercaptan was sampled with a solid phase microextraction (SPME) fiber, which was then injected directly into the vacuum chamber of the mass spectrometer. Using this method, the limit of detection was found to be approximately 5 ppm for a 15 s sampling period.

  9. Characterization of the ELIMED prototype permanent magnet quadrupole system

    NASA Astrophysics Data System (ADS)

    Russo, A. D.; Schillaci, F.; Pommarel, L.; Romano, F.; Amato, A.; Amico, A. G.; Calanna, A.; Cirrone, G. A. P.; Costa, M.; Cuttone, G.; Amato, C.; De Luca, G.; Flacco, F. A.; Gallo, G.; Giove, D.; Grmek, A.; La Rosa, G.; Leanza, R.; Maggiore, M.; Malka, V.; Milluzzo, G.; Petringa, G.; Pipek, J.; Scuderi, V.; Vauzour, B.; Zappalà, E.

    2017-01-01

    The system described in this work is meant to be a prototype of a more performing one that will be installed at ELI-Beamlines in Prague for the collection of ions produced after the interaction Laser-target, [1]. It has been realized by the researchers of INFN-LNS (Laboratori Nazionali del Sud of the Instituto Nazionale di Fisica Nucleare) and SIGMAPHI, a French company, using a system of Permanent Magnet Quadrupoles (PMQs), [2]. The final system that will be installed in Prague is designed for protons and carbons up to 60 MeV/u, around 10 times more than the energies involved in the present work. The prototype, shown in this work, has been tested in collaboration with the SAPHIR experimental facility group at LOA (Laboratoire d'Optique Appliqueé) in Paris using a 200 TW Ti:Sapphire laser system. The purpose of this work is to validate the design and the performances of this large and compact bore system and to characterize the beam produced after the interaction laser-target and its features. Moreover, the optics simulations have been compared with a real beam shape on a GAFChromic film. The procedure used during the experimental campaign and the most relevant results are reported here demonstrating a good agreement with the simulations and a good control on the beam optics.

  10. A graphical approach to radio frequency quadrupole design

    NASA Astrophysics Data System (ADS)

    Turemen, G.; Unel, G.; Yasatekin, B.

    2015-07-01

    The design of a radio frequency quadrupole, an important section of all ion accelerators, and the calculation of its beam dynamics properties can be achieved using the existing computational tools. These programs, originally designed in 1980s, show effects of aging in their user interfaces and in their output. The authors believe there is room for improvement in both design techniques using a graphical approach and in the amount of analytical calculations before going into CPU burning finite element analysis techniques. Additionally an emphasis on the graphical method of controlling the evolution of the relevant parameters using the drag-to-change paradigm is bound to be beneficial to the designer. A computer code, named DEMIRCI, has been written in C++ to demonstrate these ideas. This tool has been used in the design of Turkish Atomic Energy Authority (TAEK)'s 1.5 MeV proton beamline at Saraykoy Nuclear Research and Training Center (SANAEM). DEMIRCI starts with a simple analytical model, calculates the RFQ behavior and produces 3D design files that can be fed to a milling machine. The paper discusses the experience gained during design process of SANAEM Project Prometheus (SPP) RFQ and underlines some of DEMIRCI's capabilities.

  11. Quadrupole beam-based alignment in the RHIC interaction regions

    SciTech Connect

    Ziegler, J.; Satogata, T.

    2011-03-28

    Continued beam-based alignment (BBA) efforts have provided significant benefit to both heavy ion and polarized proton operations at RHIC. Recent studies demonstrated previously unknown systematic beam position monitor (BPM) offset errors and produced accurate measurements of individual BPM offsets in the experiment interaction regions. Here we describe the algorithm used to collect and analyze data during the 2010 and early 2011 RHIC runs and the results of these measurements. BBA data has been collected over the past two runs for all three of the active experimental IRs at RHIC, updating results from the 2005 run which were taken with incorrectly installed offsets. The technique was successfully applied to expose a systematic misuse of the BPM survey offsets in the control system. This is likely to benefit polarized proton operations as polarization transmission through acceleration ramps depends on RMS orbit control in the arcs, but a quantitative understanding of its impact is still under active investigation. Data taking is ongoing as are refinements to the BBA technique aimed at reducing systematic errors and properly accounting for dispersive effects. Further development may focus on non-triplet BPMs such as those located near snakes, or arc quadrupoles that do not have individually shunted power supplies (a prerequisite for the current method) and as such, will require a modified procedure.

  12. Temperature dependence of the quadrupole interaction of69Ge Tl and113Sn Sn

    NASA Astrophysics Data System (ADS)

    Semmler, W.; Raghavan, P.; Senba, M.; Raghavan, R. S.

    1981-03-01

    The quadrupole interaction constants of69Ge T1 and113Sn Sn were measured by means of the perturbed angular distribution technique as a function of temperature in the range of 80K≦T≦508 K and 80K≦T≦480 K, respectively. Isomeric states in69Ge and113Sn were populated by the heavy ion reactions56Fe(16O, 2 p n) and100Mo(16O, 3 n) and recoil implanted into polycrystalline Tl- and single crystalline Sn-backings. In the case of113Sn Sn, where the quadrupole coupling is weak, a special single crystal geometry was employed to enhance the sensitivity of the measurement. Within the limits of the errors the temperature dependence for both systems follows the empirical T1.5-dependence. While a strong temperature dependence comparable to In In is observed for69Ge T1, that for113Sn Sn is weaker than expected. The strength of the temperature dependence for113Sn Sn does not agree with the predictions of a lattice vibration model proposed recently for the temperature dependence of the quadrupole interaction.

  13. Supersonic Quadrupole Noise Theory for High-Speed Helicopter Rotors

    NASA Technical Reports Server (NTRS)

    Farassat, F.; Brentner, Kenneth S.

    1997-01-01

    High-speed helicopter rotor impulsive noise prediction is an important problem of aeroacoustics. The deterministic quadrupoles have been shown to contribute significantly to high-speed impulsive (HSI) noise of rotors, particularly when the phenomenon of delocalization occurs. At high rotor-tip speeds, some of the quadrupole sources lie outside the sonic circle and move at supersonic speed. Brentner has given a formulation suitable for efficient prediction of quadrupole noise inside the sonic circle. In this paper, we give a simple formulation based on the acoustic analogy that is valid for both subsonic and supersonic quadrupole noise prediction. Like the formulation of Brentner, the model is exact for an observer in the far field and in the rotor plane and is approximate elsewhere. We give the full analytic derivation of this formulation in the paper. We present the method of implementation on a computer for supersonic quadrupoles using marching cubes for constructing the influence surface (Sigma surface) of an observer space- time variable (x; t). We then present several examples of noise prediction for both subsonic and supersonic quadrupoles. It is shown that in the case of transonic flow over rotor blades, the inclusion of the supersonic quadrupoles improves the prediction of the acoustic pressure signature. We show the equivalence of the new formulation to that of Brentner for subsonic quadrupoles. It is shown that the regions of high quadrupole source strength are primarily produced by the shock surface and the flow over the leading edge of the rotor. The primary role of the supersonic quadrupoles is to increase the width of a strong acoustic signal.

  14. Charge state separation for protein applications using a quadrupole time-of-flight mass spectrometer.

    PubMed

    Chernushevich, I V; Fell, L M; Bloomfield, N; Metalnikov, P S; Loboda, A V

    2003-01-01

    A novel method for separating ions according to their charge state using a quadrupole time-of-flight mass spectrometer is presented. The benefits of charge state separation are particularly apparent in protein identification applications at low femtomole concentration levels, where in conventional TOF MS spectra peptide ions are often lost in a sea of chemical noise. When doubly and triply charged tryptic peptide ions need to be filtered from singly charged background ions, the latter are suppressed by two to three orders of magnitude, while from 10-50% of multiply charged ions remain. The suppression of chemical noise reduces the need for chromatography and can make this experimental approach the electrospray equivalent of conventional MALDI peptide maps. If unambiguous identification cannot be achieved, MS/MS experiments are performed on the precursor ions identified through charge separation, while the previously described Q2-trapping duty cycle enhancement is tuned for approximately 1.4 of the precursor m/z to enhance intensities of ions with m/z values above that of the precursor. The resulting product ion spectra contain few fragments of impurities and provide quick and unambiguous identification through database search. The multiple charge separation technique requires minimal tuning and may become a useful tool for analysis of complex mixtures.

  15. Explosives detection by nuclear quadrupole resonance (NQR)

    NASA Astrophysics Data System (ADS)

    Garroway, Allen N.; Buess, Michael L.; Yesinowski, James P.; Miller, Joel B.; Krauss, Ronald A.

    1994-10-01

    Pure nuclear quadrupole resonance (NQR) of 14N nuclei is quite promising as a method for detecting explosives such as RDX and contraband narcotics such as cocaine and heroin in quantities of interest. Pure NQR is conducted without an external applied magnetic field, so potential concerns about damage to magnetically encoded data or exposure of personnel to large magnetic fields are not relevant. Because NQR frequencies of different compounds are quite distinct, we do not encounter false alarms from the NQR signals of other benign materials. We have constructed a laboratory prototype NQR explosives detector which interrogates a volume of 300 liters (10 ft3). This paper presents abbreviated results from a demonstration of the laboratory prototype NQR explosives detector conducted at the Federal Aviation Administration Technical Center in May 1994 on RDX-based explosives.

  16. Quadrupole resonance scanner for narcotics detection

    NASA Astrophysics Data System (ADS)

    Shaw, Julian D.; Moeller, C. R.; Magnuson, Erik E.; Sheldon, Alan G.

    1994-10-01

    Interest in non-invasive, non-hazardous, bulk detection technologies for narcotics interdiction has risen over the last few years. As part of our continuing research and development programs in detection of narcotics and explosives using sensitive magnetic measuring devices, we present the first commercially available prototype Quadrupole Resonance (QR) scanner for narcotics detection. The portable narcotics detection system was designed in modular form such that a single QR base system could be easily used with a variety of custom detection heads. The QR system presented in this paper is suitable for scanning items up to 61 X 35 X 13 cm in size, and was designed to scan mail packages and briefcase-sized items for the presence of narcotics. System tests have shown that detection sensitivity is comparable that obtained in laboratory systems.

  17. An improved integrally formed radio frequency quadrupole

    DOEpatents

    Abbott, S.R.

    1987-10-05

    An improved radio frequency quadrupole is provided having an elongate housing with an elongate central axis and top, bottom and two side walls symmetrically disposed about the axis, and vanes formed integrally with the walls, the vanes each having a cross-section at right angles to the central axis which tapers inwardly toward the axis to form electrode tips spaced from each other by predetermined distances. Each of the four walls, and the vanes integral therewith, is a separate structural element having a central lengthwise plane passing through the tip of the vane, the walls having flat mounting surfaces at right angles to and parallel to the control plane, respectively, which are butted together to position the walls and vane tips relative to each other. 4 figs.

  18. Atomic Quadrupole Moment Measurement Using Dynamic Decoupling.

    PubMed

    Shaniv, R; Akerman, N; Ozeri, R

    2016-04-08

    We present a method that uses dynamic decoupling of a multilevel quantum probe to distinguish small frequency shifts that depend on m_{j}^{2}, where m_{j}^{2} is the angular momentum of level |j⟩ along the quantization axis, from large noisy shifts that are linear in m_{j}, such as those due to magnetic field noise. Using this method we measured the electric-quadrupole moment of the 4D_{5/2} level in ^{88}Sr^{+} to be 2.973_{-0.033}^{+0.026}ea_{0}^{2}. Our measurement improves the uncertainty of this value by an order of magnitude and thus helps mitigate an important systematic uncertainty in ^{88}Sr^{+} based optical atomic clocks and verifies complicated many-body quantum calculations.

  19. Quadrupole magnet for a rapid cycling synchrotron

    SciTech Connect

    Witte, H.; Berg, J. S.

    2015-05-03

    Rapid Cycling Synchrotrons (RCS) feature interleaved warm and cold dipole magnets; the field of the warm magnets is used to modulate the average bending field depending on the particle energy. It has been shown that RCS can be an attractive option for fast acceleration of particles, for example, muons, which decay quickly. In previous studies it was demonstrated that in principle warm dipole magnets can be designed which can provide the required ramp rates, which are equivalent to frequencies of about 1 kHz. To reduce the losses it is beneficial to employ two separate materials for the yoke; it was also shown that by employing an optimized excitation coil geometry the eddy current losses are acceptable. In this paper we show that the same principles can be applied to quadrupole magnets targeting 30 T/m with a repetition rate of 1kHz and good field quality.

  20. Roll measurement of Tevatron dipoles and quadrupoles

    SciTech Connect

    Volk, J.T.; Elementi, L.; Gollwitzer, K.; Jostlein, H.; Nobrega, F.; Shiltsev, V.; Stefanski, R.

    2006-09-01

    In 2003 a simple digital level system was developed to allow for rapid roll measurements of all dipoles and quadrupoles in the Tevatron. The system uses a Mitutoyo digital level and a PC running MS WINDOWS XP and LAB VIEW to acquire data on the upstream and downstream roll of each magnet. The system is sufficiently simple that all 1,000 magnets in the Tevatron can be measured in less than 3 days. The data can be quickly processed allowing for correction of rolled magnets by the Fermilab alignment group. Data will be presented showing the state of the Tevatron in 2003 and the changes in rolls as measured in each shutdown since then.