National Library of Energy BETA

Sample records for beam mass spectrometry

  1. Molecular Beam Mass Spectrometry (MBMS) (Revised) (Fact Sheet)

    SciTech Connect (OSTI)

    Not Available

    2011-07-01

    This fact sheet provides information about Molecular Beam Mass Spectrometry (MBMS) capabilities and applications at NREL's National Bioenergy Center. NREL has six MBMS systems that researchers and industry partners can use to understand thermochemical biomass conversion and biomass composition recalcitrance.

  2. Apparatus and methods for continuous beam fourier transform mass spectrometry

    DOE Patents [OSTI]

    McLuckey, Scott A. (Oak Ridge, TN); Goeringer, Douglas E. (Oak Ridge, TN)

    2002-01-01

    A continuous beam Fourier transform mass spectrometer in which a sample of ions to be analyzed is trapped in a trapping field, and the ions in the range of the mass-to-charge ratios to be analyzed are excited at their characteristic frequencies of motion by a continuous excitation signal. The excited ions in resonant motions generate real or image currents continuously which can be detected and processed to provide a mass spectrum.

  3. Atmospheric pressure plasma analysis by modulated molecular beam mass spectrometry

    SciTech Connect (OSTI)

    Aranda Gonzalvo, Y.; Whitmore, T.D.; Rees, J.A.; Seymour, D.L.; Stoffels, E.

    2006-05-15

    Fractional number density measurements for a rf plasma 'needle' operating at atmospheric pressure have been obtained using a molecular beam mass spectrometer (MBMS) system designed for diagnostics of atmospheric plasmas. The MBMS system comprises three differentially pumped stages and a mass/energy analyzer and includes an automated beam-to-background measurement facility in the form of a software-controlled chopper mechanism. The automation of the beam modulation allows the neutral components in the plasma to be rapidly and accurately measured using the mass spectrometer by threshold ionization techniques. Data are reported for plasma generated by a needle plasma source operated using a helium/air mixture. In particular, data for the conversion of atmospheric oxygen and nitrogen into nitric oxide are discussed with reference to its significance for medical applications such as disinfecting wounds and dental cavities and for microsurgery.

  4. Gas Chromatography -Mass Spectrometry

    E-Print Network [OSTI]

    Nizkorodov, Sergey

    GCMS - 1 Gas Chromatography - Mass Spectrometry GC-MS ANALYSIS OF ETHANOL AND BENZENE IN GASOLINE Last updated: June 17, 2014 #12;GCMS - 2 Gas Chromatography - Mass Spectrometry GC-MS ANALYSIS). The goal of this experiment is to separate the components in a sample of gasoline using Gas Chromatography

  5. Molecular beam mass spectrometry with tunable vacuum ultraviolet (VUV) synchrotron radiation

    SciTech Connect (OSTI)

    Golan, Amir; Ahmed, Musahid

    2012-01-01

    Tunable soft ionization coupled to mass spectroscopy is a powerful method to investigate isolated molecules, complexes and clusters and their spectroscopy and dynamics.[1-4] Fundamental studies of photoionization processes of biomolecules provide information about electronic structure of these systems. Furthermore determinations of ionization energies and other properties of biomolecules in the gas phase are not trivial, and these experiments provide a platform to generate these data. We have developed a thermal vaporization technique coupled with supersonic molecular beams that provides a gentle way to transport these species into the gas phase. Judicious combination of source gas and temperature allows for formation of dimers and higher clusters of the DNA bases. The focus of this particular work is on the effects of non-covalent interactions, i.e., hydrogen bonding, stacking, and electrostatic interactions, on the ionization energies and proton transfer of individual biomolecules, their complexes and upon micro-hydration by water.[1, 5-9] We have performed experimental and theoretical characterization of the photoionization dynamics of gas-phase uracil and 1,3-methyluracil dimers using molecular beams coupled with synchrotron radiation at the Chemical Dynamics Beamline[10] located at the Advanced Light Source and the experimental details are visualized here. This allowed us to observe the proton transfer in 1,3-dimethyluracil dimers, a system with pi stacking geometry and with no hydrogen bonds[1]. Molecular beams provide a very convenient and efficient way to isolate the sample of interest from environmental perturbations which in return allows accurate comparison with electronic structure calculations[11, 12]. By tuning the photon energy from the synchrotron, a photoionization efficiency (PIE) curve can be plotted which informs us about the cationic electronic states. These values can then be compared to theoretical models and calculations and in turn, explain in detail the electronic structure and dynamics of the investigated species [1, 3].

  6. Analytical mass spectrometry. Abstracts

    SciTech Connect (OSTI)

    Not Available

    1990-12-31

    This 43rd Annual Summer Symposium on Analytical Chemistry was held July 24--27, 1990 at Oak Ridge, TN and contained sessions on the following topics: Fundamentals of Analytical Mass Spectrometry (MS), MS in the National Laboratories, Lasers and Fourier Transform Methods, Future of MS, New Ionization and LC/MS Methods, and an extra session. (WET)

  7. Analytical mass spectrometry

    SciTech Connect (OSTI)

    Not Available

    1990-01-01

    This 43rd Annual Summer Symposium on Analytical Chemistry was held July 24--27, 1990 at Oak Ridge, TN and contained sessions on the following topics: Fundamentals of Analytical Mass Spectrometry (MS), MS in the National Laboratories, Lasers and Fourier Transform Methods, Future of MS, New Ionization and LC/MS Methods, and an extra session. (WET)

  8. Linear electric field mass spectrometry

    DOE Patents [OSTI]

    McComas, D.J.; Nordholt, J.E.

    1992-12-01

    A mass spectrometer and methods for mass spectrometry are described. The apparatus is compact and of low weight and has a low power requirement, making it suitable for use on a space satellite and as a portable detector for the presence of substances. High mass resolution measurements are made by timing ions moving through a gridless cylindrically symmetric linear electric field. 8 figs.

  9. Effusive molecular beam-sampled Knudsen flow reactor coupled to vacuum ultraviolet single photon ionization mass spectrometry using an external free radical source

    SciTech Connect (OSTI)

    Leplat, N.; Rossi, M. J.

    2013-11-15

    A new apparatus using vacuum ultraviolet single photon ionization mass spectrometry (VUV SPIMS) of an effusive molecular beam emanating from a Knudsen flow reactor is described. It was designed to study free radical-molecule kinetics over a significant temperature range (300–630 K). Its salient features are: (1) external free radical source, (2) counterpropagating molecular beam and diffuse VUV photon beam meeting in a crossed-beam ion source of a quadrupole mass spectrometer with perpendicular ion extraction, (3) analog detection of the photocurrent of the free radical molecular cation, and (4) possibility of detecting both free radicals and closed shell species in the same apparatus and under identical reaction conditions owing to the presence of photoelectrons generated by the photoelectric effect of the used VUV-photons. The measured thermal molecular beam-to-background ratio was 6.35 ± 0.39 for Ar and 10.86 ± 1.59 for i-C{sub 4}H{sub 10} at 300 K, a factor of 2.52 and 1.50 smaller, respectively, than predicted from basic gas-dynamic considerations. Operating parameters as well as the performance of key elements of the instrument are presented and discussed. Coupled to an external free radical source a steady-state specific exit flow of 1.6 × 10{sup 11} and 5.0 × 10{sup 11} molecule s{sup ?1} cm{sup ?3} of C{sub 2}H{sub 5}{sup •} (ethyl) and t-C{sub 4}H{sub 9}{sup •} (t-butyl) free radicals have been detected using VUV SPIMS at their molecular ion m/z 29 and 57, respectively, at 300 K.

  10. BIOLOGICAL ANALYSIS Mass Spectrometry

    E-Print Network [OSTI]

    Painter, Kevin

    Transmission Suite Vertical Transmission Suite Materials Testing Lab Materials Research Lab Wet Lab Concrete and switching surges 800kV DC insulation and breakdown tests 300kV AC testing 300 kV Partial discharge detector, 4", 8" & 16" Photometer Ultra Pure water processor Deposition e-beam evaporator Nickel DC plating

  11. Electrospray Ionization Mass Spectrometry

    SciTech Connect (OSTI)

    Kelly, Ryan T.; Marginean, Ioan; Tang, Keqi

    2014-06-13

    Electrospray Ionization (ESI) is a process whereby gas phase ions are created from molecules in solution. As a solution exits a narrow tube in the presence of a strong electric field, an aerosol of charged droplets are is formed that produces gas phase ions as they it desolvates. ESI-MS comprises the creation of ions by ESI and the determination of their mass to charge ratio (m/z) by MS.

  12. Advances in Chromatography, Mass Spectrometry & Lab Automation

    E-Print Network [OSTI]

    Vertes, Akos

    #12;Advances in Chromatography, Mass Spectrometry & Lab Automation 2 Publisher's Note Kevin Davies&EN Media Group 4 Top Ten Chromatography, Mass Spectrometry, and Lab Automation Papers APPLICATION NOTES 10&EN Supplement of 2015: "Advances in Chromatography, Mass Spectrometry, and Lab Automation." This supplement

  13. Electrospray Mass Spectrometry | The Ames Laboratory

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    have come up with a technology that should speed DOE's remediation work while cutting costs. The technology is electrospray mass spectrometry (EMS), which creates gas phase...

  14. In situ secondary ion mass spectrometry analysis

    SciTech Connect (OSTI)

    Groenewold, G.S.; Applehans, A.D.; Ingram, J.C.; Delmore, J.E.; Dahl, D.A.

    1993-01-01

    The direct detection of tributyl phosphate (TBP) on rocks using molecular beam surface analysis [MBSA or in situ secondary ion mass spectrometry (SIMS)] is demonstrated. Quantities as low as 250 ng were detected on basalt and sandstone with little or no sample preparation. Detection of TBP on soil has proven to be more problematic and requires further study. Ethylenediaminetetraacetic acid (EDTA) is more difficult to detect because it is very reactive with surfaces of interest. Nevertheless, it is possible to detect EDTA if the acidity of the surface is controlled. The detection of EDTA-metal complexes is currently an open question, but evidence is presented for the detection of ions arising from a EDTA-lead complex. Carboxylic acids (i.e., citric, ascorbic, malic, succinic, malonic, and oxalic) give characteristic SIM spectra, but their detection on sample surfaces awaits evaluation.

  15. ACCOUNT AND PERSPECTIVE Macromolecule Mass Spectrometry

    E-Print Network [OSTI]

    Karypis, George

    ACCOUNT AND PERSPECTIVE Macromolecule Mass Spectrometry: Citation Mining of User Documents Ronald N. Kostoff and Clifford D. Bedford Office of Naval Research, Arlington, Virginia, USA J. Antonio del Ri impacted research, technology development, and applications. Citation Mining, an integration of citation

  16. Monolithic multinozzle emitters for nanoelectrospray mass spectrometry

    DOE Patents [OSTI]

    Wang, Daojing (Daly City, CA); Yang, Peidong (Kensington, CA); Kim, Woong (Seoul, KR); Fan, Rong (Pasadena, CA)

    2011-09-20

    Novel and significantly simplified procedures for fabrication of fully integrated nanoelectrospray emitters have been described. For nanofabricated monolithic multinozzle emitters (NM.sup.2 emitters), a bottom up approach using silicon nanowires on a silicon sliver is used. For microfabricated monolithic multinozzle emitters (M.sup.3 emitters), a top down approach using MEMS techniques on silicon wafers is used. The emitters have performance comparable to that of commercially-available silica capillary emitters for nanoelectrospray mass spectrometry.

  17. Future Directions of Structural Mass Spectrometry using Hydroxyl Radical Footprinting

    SciTech Connect (OSTI)

    J Kiselar; M Chance

    2011-12-31

    Hydroxyl radical protein footprinting coupled to mass spectrometry has been developed over the last decade and has matured to a powerful method for analyzing protein structure and dynamics. It has been successfully applied in the analysis of protein structure, protein folding, protein dynamics, and protein-protein and protein-DNA interactions. Using synchrotron radiolysis, exposure of proteins to a 'white' X-ray beam for milliseconds provides sufficient oxidative modification to surface amino acid side chains, which can be easily detected and quantified by mass spectrometry. Thus, conformational changes in proteins or protein complexes can be examined using a time-resolved approach, which would be a valuable method for the study of macromolecular dynamics. In this review, we describe a new application of hydroxyl radical protein footprinting to probe the time evolution of the calcium-dependent conformational changes of gelsolin on the millisecond timescale. The data suggest a cooperative transition as multiple sites in different molecular subdomains have similar rates of conformational change. These findings demonstrate that time-resolved protein footprinting is suitable for studies of protein dynamics that occur over periods ranging from milliseconds to seconds. In this review, we also show how the structural resolution and sensitivity of the technology can be improved as well. The hydroxyl radical varies in its reactivity to different side chains by over two orders of magnitude, thus oxidation of amino acid side chains of lower reactivity are more rarely observed in such experiments. Here we demonstrate that the selected reaction monitoring (SRM)-based method can be utilized for quantification of oxidized species, improving the signal-to-noise ratio. This expansion of the set of oxidized residues of lower reactivity will improve the overall structural resolution of the technique. This approach is also suggested as a basis for developing hypothesis-driven structural mass spectrometry experiments.

  18. Single Cell Analysis Using Microfluidics Coupled to Ultrasensitive Mass Spectrometry

    E-Print Network [OSTI]

    Single Cell Analysis Using Microfluidics Coupled to Ultrasensitive Mass Spectrometry PI Ryan Kelly is to combine microfluidic sample preparation and separations with the ultrasensitive mass spectrometry (MS without the need for chemical labeling. We will combine our expertise in the fields of microfluidics

  19. A new detector for mass spectrometry: Direct detection of low...

    Office of Scientific and Technical Information (OSTI)

    A new detector for mass spectrometry: Direct detection of low energy ions using a multi-pixel photon counter Citation Details In-Document Search Title: A new detector for mass...

  20. Digital microfluidic sample preparation for biological mass spectrometry 

    E-Print Network [OSTI]

    Stokes, Adam A.

    2011-06-27

    The use of mass spectrometry in the biosciences has undergone huge growth in re- cent years due to sustained effort in the development of new ionisation techniques, more powerful mass analysers and better bioinformatic ...

  1. Small system for tritium accelerator mass spectrometry

    DOE Patents [OSTI]

    Roberts, M.L.; Davis, J.C.

    1993-02-23

    Apparatus for ionizing and accelerating a sample containing isotopes of hydrogen and detecting the ratios of hydrogen isotopes contained in the sample is disclosed. An ion source generates a substantially linear ion beam including ions of tritium from the sample. A radio-frequency quadrupole accelerator is directly coupled to and axially aligned with the source at an angle of substantially zero degrees. The accelerator accelerates species of the sample having different mass to different energy levels along the same axis as the ion beam. A spectrometer is used to detect the concentration of tritium ions in the sample. In one form of the invention, an energy loss spectrometer is used which includes a foil to block the passage of hydrogen, deuterium and [sup 3]He ions, and a surface barrier or scintillation detector to detect the concentration of tritium ions. In another form of the invention, a combined momentum/energy loss spectrometer is used which includes a magnet to separate the ion beams, with Faraday cups to measure the hydrogen and deuterium and a surface barrier or scintillation detector for the tritium ions.

  2. Accelerator mass spectrometry program at the University of Washington

    SciTech Connect (OSTI)

    Farwell, G.W.; Leach, D.D.; Grootes, P.M.; Schmidt, F.H.

    1984-04-10

    The University uses an FN-Tandem for /sup 14/C and /sup 10/Be measurements. Three main problems for accelerator-mass-spectrometry are normalization, stability, and sample preparation. The approach to these problems is discussed. (GHT)

  3. Subcellular analysis by laser ablation electrospray ionization mass spectrometry

    DOE Patents [OSTI]

    Vertes, Akos; Stolee, Jessica A; Shrestha, Bindesh

    2014-12-02

    In various embodiments, a method of laser ablation electrospray ionization mass spectrometry (LAESI-MS) may generally comprise micro-dissecting a cell comprising at least one of a cell wall and a cell membrane to expose at least one subcellular component therein, ablating the at least one subcellular component by an infrared laser pulse to form an ablation plume, intercepting the ablation plume by an electrospray plume to form ions, and detecting the ions by mass spectrometry.

  4. High-performance MEMS square electrode quadrupole mass filters for chip-scale mass spectrometry

    E-Print Network [OSTI]

    Cheung, Kerry

    We report exciting experimental data from a low-cost, high-performance square electrode quadrupole mass filter with integrated ion optics intended for chips-cale mass spectrometry. The device showed a mass range of 650 amu ...

  5. Aerosol mass spectrometry systems and methods

    DOE Patents [OSTI]

    Fergenson, David P.; Gard, Eric E.

    2013-08-20

    A system according to one embodiment includes a particle accelerator that directs a succession of polydisperse aerosol particles along a predetermined particle path; multiple tracking lasers for generating beams of light across the particle path; an optical detector positioned adjacent the particle path for detecting impingement of the beams of light on individual particles; a desorption laser for generating a beam of desorbing light across the particle path about coaxial with a beam of light produced by one of the tracking lasers; and a controller, responsive to detection of a signal produced by the optical detector, that controls the desorption laser to generate the beam of desorbing light. Additional systems and methods are also disclosed.

  6. Laser desorption lamp ionization source for ion trap mass spectrometry

    E-Print Network [OSTI]

    Zare, Richard N.

    Laser desorption lamp ionization source for ion trap mass spectrometry Qinghao Wu and Richard N. Zare* A two-step laser desorption lamp ionization source coupled to an ion trap mass spectrometer (LDLI-ITMS) has been constructed and characterized. The pulsed infrared (IR) output of an Nd:YAG laser (1064 nm

  7. Microdroplet fusion mass spectrometry for fast reaction kinetics

    E-Print Network [OSTI]

    Zare, Richard N.

    Microdroplet fusion mass spectrometry for fast reaction kinetics Jae Kyoo Leea,b , Samuel Kima,b,1 investigated the fusion of high-speed liquid droplets as a way to record the kinetics of liquid-phase chemical between the mass spec- trometer inlet and the droplet fusion center. Fused droplet trajec- tories were

  8. Direct analysis of samples by mass spectrometry: From elements to bio-molecules using laser ablation inductively couple plasma mass spectrometry and laser desorption/ionization mass spectrometry

    SciTech Connect (OSTI)

    Perdian, David C.

    2009-08-19

    Mass spectrometric methods that are able to analyze solid samples or biological materials with little or no sample preparation are invaluable to science as well as society. Fundamental research that has discovered experimental and instrumental parameters that inhibit fractionation effects that occur during the quantification of elemental species in solid samples by laser ablation inductively coupled plasma mass spectrometry is described. Research that determines the effectiveness of novel laser desorption/ionization mass spectrometric methods for the molecular analysis of biological tissues at atmospheric pressure and at high spatial resolution is also described. A spatial resolution is achieved that is able to analyze samples at the single cell level.

  9. Mass Spectrometry DOI: 10.1002/anie.201004861

    E-Print Network [OSTI]

    Zare, Richard N.

    Chien, Nick K. Davis, and Richard N. Zare* The ability to detect reactive intermediates in solution using mass spectrometry (MS) has significantly advanced in the last decade owing to the development in real time.[8] Transfer hydrogenation using Ru organometallic catalysts in the presence of a hydrogen

  10. Coming to a hospital near you: mass spectrometry imaging

    ScienceCinema (OSTI)

    Bowen, Ben

    2014-06-24

    Berkeley Lab's Ben Bowen discusses "Coming to a hospital near you: mass spectrometry imaging" in this Oct. 28, 2013 talk, which is part of a Science at the Theater event entitled Eight Big Ideas. Go here to watch the entire event with all 8 speakers.

  11. TECHNICAL BRIEF Mass spectrometry-based immuno-precipitation

    E-Print Network [OSTI]

    Lamond, Angus I.

    TECHNICAL BRIEF Mass spectrometry-based immuno-precipitation proteomics ­ The user's guide Sara ten Revised: December 7, 2010 Accepted: December 10, 2010 Immuno-precipitation (IP) experiments using MS but not described in the form of protocols. Keywords: Cell biology / Cumulative analysis / Immuno-precipitation

  12. Laser Mass Spectrometry in Planetary Science

    SciTech Connect (OSTI)

    Wurz, P.; Whitby, J. A.; Managadze, G. G.

    2009-06-16

    Knowing the chemical, elemental, and isotopic composition of planetary objects allows the study of their origin and evolution within the context of our solar system. Exploration plans in planetary research of several space agencies consider landing spacecraft for future missions. Although there have been successful landers in the past, more landers are foreseen for Mars and its moons, Venus, the jovian moons, and asteroids. Furthermore, a mass spectrometer on a landed spacecraft can assist in the sample selection in a sample-return mission and provide mineralogical context, or identify possible toxic soils on Mars for manned Mars exploration. Given the resources available on landed spacecraft mass spectrometers, as well as any other instrument, have to be highly miniaturised.

  13. Characterization of the Molecular Composition of Secondary Organic Aerosols using High Resolution Mass Spectrometry

    E-Print Network [OSTI]

    Sellon, Rachel Elizabeth

    2012-01-01

    mass spectrometry, Analytical Chemistry, 82(19), 7979-7986.mass spectrometry, Analytical Chemistry, 79(21), Altieri, K.of organic compounds, Analytical Chemistry, 35(13), 2146-&.

  14. A study of the formation of cluster ions from metal acetates using plasma desorption mass spectrometry 

    E-Print Network [OSTI]

    Mendez Silvagnoli, Winston Reinaldo

    1995-01-01

    A novel application of desorption/ionization methods of mass spectrometry, e. g. plasma desorption mass spectrometry (PDMS), is the analysis of both the composition and structure of solid materials in one experiment. Cluster ions emitted from...

  15. Charge Prediction of Lipid Fragments in Mass Spectrometry

    SciTech Connect (OSTI)

    Schrom, Brian T.; Kangas, Lars J.; Ginovska, Bojana; Metz, Thomas O.; Miller, John H.

    2011-12-18

    An artificial neural network is developed for predicting which fragment is charged and which fragment is neutral for lipid fragment pairs produced from a liquid chromatography tandem mass spectrometry simulation process. This charge predictor is integrated into software developed at PNNL for in silico spectra generation and identification of metabolites known as Met ISIS. To test the effect of including charge prediction in Met ISIS, 46 lipids are used which show a reduction in false positive identifications when the charge predictor is utilized.

  16. Sheathless interface for coupling capillary electrophoresis with mass spectrometry

    SciTech Connect (OSTI)

    Wang, Chenchen; Tang, Keqi; Smith, Richard D.

    2014-06-17

    A sheathless interface for coupling capillary electrophoresis (CE) with mass spectrometry is disclosed. The sheathless interface includes a separation capillary for performing CE separation and an emitter capillary for electrospray ionization. A portion of the emitter capillary is porous or, alternatively, is coated to form an electrically conductive surface. A section of the emitter capillary is disposed within the separation capillary, forming a joint. A metal tube, containing a conductive liquid, encloses the joint.

  17. Ion source for high-precision mass spectrometry

    DOE Patents [OSTI]

    Todd, P.J.; McKown, H.S.; Smith, D.H.

    1982-04-26

    The invention is directed to a method for increasing the precision of positive-ion relative abundance measurements conducted in a sector mass spectrometer having an ion source for directing a beam of positive ions onto a collimating slit. The method comprises incorporating in the source an electrostatic lens assembly for providing a positive-ion beam of circular cross section for collimation by the slit. 2 figures, 3 tables.

  18. ²?²Cf-plasma desorption mass spectrometry of RNA nucleosides 

    E-Print Network [OSTI]

    Piper, Duane Gilbert

    1976-01-01

    . The average energy of the fragments from Cf are 79 MeV for the heavy particle and 104 MeV for the light particle, The plasma de- 22 sorption technique utilizes this energy to ionize the solid target samples. Penetration of the fission fragment... by Cf-plasma desorption mass spectrometry. Sample molecules are 252 volatilized and ionized by high-energy Cf fission particles. The mass of sample ions is determined by accelerating the volatil- ized tons into a flight tube where the ions separate...

  19. Elemental and isotopic analysis of inorganic salts by laser desorption ionization mass spectrometry

    SciTech Connect (OSTI)

    Jayasekharan, T.; Sahoo, N. K.

    2013-02-05

    Laser desorption ionization mass spectrometry is applied for the analysis of elements as well as their isotopic composition in different inorganic salts. At very low laser energies the inorganic ions are desorbed and ionized from the thin layer of the sample surface. The naturally occurring isotopes of alkali and silver ions are resolved using time of flight mass spectrometer. Further increase in laser energy shows the appearance of Al, Cr, and Fe ions in the mass spectra. This indicates the penetration laser beam beyond the sample surface leading to the ablation of sample target at higher energies. The simultaneous appearance of atomic ions from the sample target at relatively higher laser energies hampers the unambiguous identification of amino acid residues from the biomolecular ions in MALDI-MS.

  20. RAPID COMMUNICATIONS IN MASS SPECTROMETRY Rapid Commun. Mass Spectrom. 2004; 18: 27062712

    E-Print Network [OSTI]

    Kim, Myung Soo

    a tryptophanyl residue Joo Yeon Oh, Jeong Hee Moon and Myung Soo Kim* National Creative Research Initiative mass spectrometry.7,8 The internal energy that ions acquire in the MALDI process or via colli- sional has been attempted also.11­13 Compared with CAD, PD may be considered a clean technique without

  1. BEAM RELATED SYSTEMATICS IN HIGGS BOSON MASS MEASUREMENT

    E-Print Network [OSTI]

    BEAM RELATED SYSTEMATICS IN HIGGS BOSON MASS MEASUREMENT A.RASPEREZA DESY, Notkestrasse 85, D­22607#erential luminosity spectrum measurements and beam energy spread on the precision of the Higgs boson mass measurement possible impact of the beam related systematic errors on the Higgs boson mass measurement is discussed

  2. A Mass Spectrometry Study of Isotope Separation in the Laser Plume

    E-Print Network [OSTI]

    Suen, Timothy Wu

    2012-01-01

    Uranium Particles”, Analytical Chemistry 71, 2616 (1999). [mass spectrometry”, Trends in Analytical Chemistry 24, 255 (spec- trometry”, Analytical Chemistry 60, 1472 (1988). [82

  3. Laser ablation electrospray ionization (LAESI) for atmospheric pressure, In vivo, and imaging mass spectrometry

    DOE Patents [OSTI]

    Vertes, Akos (Reston, VA); Nemes, Peter (Silver Spring, MD)

    2011-11-29

    The field of the invention is atmospheric pressure mass spectrometry (MS), and more specifically a process and apparatus which combine infrared laser ablation (LA) with electrospray ionization (ESI).

  4. Three-dimensional molecular imaging by infrared laser ablation electrospray ionization mass spectrometry

    DOE Patents [OSTI]

    Vertes, Akos; Nemes, Peter

    2012-10-30

    The field of the invention is atmospheric pressure mass spectrometry (MS), and more specifically a process and apparatus which combine infrared laser ablation with electrospray ionization (ESI).

  5. Laser ablation electrospray ionization (LAESI) for atmospheric pressure, in vivo, and imaging mass spectrometry

    DOE Patents [OSTI]

    Vertes, Akos; Nemes, Peter

    2013-07-16

    The field of the invention is atmospheric pressure mass spectrometry (MS), and more specifically a process and apparatus which combine infrared laser ablation with electrospray ionization (ESI).

  6. Three-dimensional molecular imaging by infrared laser ablation electrospray ionization mass spectrometry

    DOE Patents [OSTI]

    Vertes, Akos; Nemes, Peter

    2013-07-16

    The field of the invention is atmospheric pressure mass spectrometry (MS), and more specifically a process and apparatus which combine infrared laser ablation with electrospray ionization (ESI).

  7. Laser ablation electrospray ionization (LAESI) for atmospheric pressure, in vivo, and imaging mass spectrometry

    SciTech Connect (OSTI)

    Vertes, Akos; Nemes, Peter

    2014-08-19

    The field of the invention is atmospheric pressure mass spectrometry (MS), and more specifically a process and apparatus which combine infrared laser ablation with electrospray ionization (ESI).

  8. Three-dimensional molecular imaging by infrared laser ablation electrospray ionization mass spectrometry

    DOE Patents [OSTI]

    Vertes, Akos (Reston, VA); Nemes, Peter (Silver Spring, MD)

    2011-06-21

    The field of the invention is atmospheric pressure mass spectrometry (MS), and more specifically a process and apparatus which combine infrared laser ablation with electrospray ionization (ESI).

  9. Accelerator Mass Spectrometry | U.S. DOE Office of Science (SC...

    Office of Science (SC) Website

    Accelerator Mass Spectrometry at ANL and ORNL Nuclear Physics (NP) NP Home About Research Facilities Science Highlights Benefits of NP Applications of Nuclear Science Applications...

  10. Focus on Advancing High Performance Mass Spectrometry, Honoring Dr. Richard D. Smith, Recipient of the 2013 Award for a Distinguished Contribution in Mass Spectrometry

    SciTech Connect (OSTI)

    Baker, Erin Shammel; Muddiman, David C.; Loo, Joseph

    2014-12-01

    This special focus issue of the Journal of the American Society for Mass Spectrometry celebrates the accomplishments of Dr. Richard D. Smith, the recipient of the 2013ASMS Award for a Distinguished Contribution in Mass Spectrometry, and who serves as a Battelle Fellow, Chief Scientist in the Biological Sciences Division, and Director of Proteomics Research at Pacific Northwest National Laboratory (PNNL) in Richland, WA. The award is for his development of the electrodynamic ion funnel.

  11. Top-down mass spectrometry on low-resolution instruments: Characterization of phosphopantetheinylated carrier

    E-Print Network [OSTI]

    Nizet, Victor

    Top-down mass spectrometry on low-resolution instruments: Characterization October 2007 Available online 1 November 2007 Abstract--Mass spectrometry (MS) is an important tool using multi-stage tandem MS on a common ion trap instrument to obtain high-resolution mea- surements

  12. Synchrotron photoionization mass spectrometry study of intermediates in fuel-rich 1,2-dimethoxyethane flame

    SciTech Connect (OSTI)

    Lin, Z. K.; Han, D. L.; Li, S. F.; Li, Y. Y.; Yuan, T.

    2009-04-21

    Intermediates in a fuel-rich premixed laminar 1,2-dimethoxyethane (DME) flame are studied by molecular beam mass spectrometry combined with tunable synchrotron vacuum ultraviolet photoionization. About 30 intermediate species are identified in the present work, and their mole fraction profiles are evaluated. The experimental results show that the formations of intermediates, both hydrocarbons and oxygenated hydrocarbons, are closely linked to the structure of fuel, which is consistent with the previous reports. Species produced from H atom abstraction and beta scission of DME usually have much higher concentrations than others. The oxygen atoms in DME are considered to act as partitions of the primary intermediates; therefore farther reactions among these primary intermediates are difficult to occur, resulting in absence of most large intermediate species.

  13. BEAM RELATED SYSTEMATICS IN HIGGS BOSON MASS MEASUREMENT

    E-Print Network [OSTI]

    BEAM RELATED SYSTEMATICS IN HIGGS BOSON MASS MEASUREMENT A.RASPEREZA DESY, Notkestrasse 85, D-22607 and differential luminosity spectrum measurements and beam energy spread on the precision of the Higgs boson mass such as Higgs boson mass, decay branching fractions and production rate. However, most of these studies did

  14. Transition of Iodine Analysis to Accelerator Mass Spectrometry

    SciTech Connect (OSTI)

    M. L. Adamic; J. E. Olson; D. D. Jenson; J. G. Eisenmenger; M. G. Watrous

    2012-09-01

    This NA 22 funded research project investigated the transition of iodine isotopic analyses from thermal ionization mass spectrometry (TIMS) to an accelerator mass spectrometry (AMS) system. Previous work (Fiscal Year 2010) had demonstrated comparable data from TIMS and AMS. With AMS providing comparable data with improved background levels and vastly superior sample throughput, improvement in the sample extraction from environmental sample matrices was needed to bring sample preparation throughput closer to the operation level of the instrument. Previous research used an extraction chemistry that was not optimized for yield or refined for reduced labor to prove the principle. This research was done to find an extraction with better yield using less labor per sample to produce a sample ready for the AMS instrument. An extraction method using tetramethyl ammonium hydroxide (TMAH) was developed for removal of iodine species from high volume air filters. The TMAH with gentle heating was superior to the following three extraction methods: ammonium hydroxide aided by sonication, acidic and basic extraction aided by microwave, and ethanol mixed with sodium hydroxide. Taking the iodine from the extraction solvent to being ready for AMS analysis was accomplished by a direct precipitation, as well as, using silver wool to harvest the iodine from the TMAH. Portions of the same filters processed in FY 2010 were processed again with the improved extraction scheme followed by successful analysis by AMS at the Swiss Federal Institute of Technology. The data favorably matched the data obtained in 2010. The time required for analysis has been reduced over the aqueous extraction/AMS approach developed in FY 2010. For a hypothetical batch of 30 samples, the AMS methodology is about 10 times faster than the traditional gas phase chemistry and TIMS analysis. As an additional benefit, background levels for the AMS method are about 1000 times lower than TIMS. This results from the fundamental mechanisms of ionization in the AMS system and which produces a beneficial cleanup of molecular interferences. Continued clean operation of the extraction process was demonstrated through blank analysis included with all sample sets analyzed. INL work showed improvement on the first year’s demonstration of AMS vs. TIMS. An improved extraction of high volume air filters followed by isotopic analysis by AMS, can be used successfully to make iodine measurements with results comparable to those obtained by filter combustion and TIMS analysis. More progress on the conversion from an extract solution to an AMS sample ready for analysis is still needed. Although the preparation scheme through AMS is already at a higher performing thoughput than TIMS, the chemical preparation cannot match the instrument capability for number of samples per day without further development.

  15. IDENTIFICATION OF STAPHYLOCOCCAL SPECIES BASED ON VARIATIONS IN PROTEIN SEQUENCES (MASS SPECTROMETRY) AND DNA SEQUENCE (sodA MICROARRAY)

    SciTech Connect (OSTI)

    Kooken, Jennifer M.; Fox, Karen F.; Fox, Alvin; Altomare, Diego; Creek, Kim E.; Wunschel, David S.; Pajares-Merino, Sara; Martinez-Ballesteros, Ilargi; Garaizar, Javier; Oyarzabal, Omar A.; Samadpour, Mansour

    2014-02-03

    IDENTIFICATION OF STAPHYLOCOCCAL SPECIES BASED ON VARIATIONS IN PROTEIN SEQUENCES (MASS SPECTROMETRY) AND DNA SEQUENCE (sodA MICROARRAY)

  16. ASSESSMENT OF MARKER PROTEINS IDENTIFIED IN WHOLE CELL EXTRACTS FOR BACTERIAL SPECIATION USING LIQUID CHROMATOGRAPHY ELECTROSPRAY IONIZATION TANDEM MASS SPECTROMETRY

    SciTech Connect (OSTI)

    Kooken, Jennifer M.; Fox, Karen F.; Fox, Alvin; Wunschel, David S.

    2014-02-02

    ASSESSMENT OF MARKER PROTEINS IDENTIFIED IN WHOLE CELL EXTRACTS FOR BACTERIAL SPECIATION USING LIQUID CHROMATOGRAPHY ELECTROSPRAY IONIZATION TANDEM MASS SPECTROMETRY

  17. Synergy of decay spectroscopy and mass spectrometry for the study of exotic nuclides

    E-Print Network [OSTI]

    Stanja, Juliane

    With only two ingredients, atomic nuclei exhibit a rich structure depending on the ordering of the different proton- and neutron-occupied states. This ordering can give rise to excited states with exceptionally long half-lives, also known as isomers, especially near shell closures. On-line mass spectrometry can often be compromised by the existence of such states that may even be produced in higher proportion than the ground state. This thesis presents the first results obtained from a nuclear spectroscopy setup coupled with the high-resolution Penning-trap mass spectrometer ISOLTRAP, at CERN’s radioactive ion beam facility ISOLDE. The isomerism in the neutron-deficient thallium isotopes was investigated. The data on $^{184,190,193?195}$Tl allow an improvement of existing mass values as well as a mass-spin- state assignment in $^{ 190,193,194}$Tl. Due to the presence of the ground and isomeric state for $^{ 194}$Tl the excitation energy of the latter was determined for the first time experimentally. Syste...

  18. Matrix Effects in Biological Mass Spectrometry Imaging: Identification and Compensation

    SciTech Connect (OSTI)

    Lanekoff, Ingela T.; Stevens, Susan; Stenzel-Poore, Mary; Laskin, Julia

    2014-07-21

    Matrix effects in mass spectrometry imaging (MSI) may affect the observed molecular distribution in chemical and biological systems. In this study, we introduce an experimental approach that efficiently compensates for matrix effects in nanospray desorption electrospray ionization (nano-DESI) MSI without introducing any complexity into the experimental protocol. We demonstrate compensation for matrix effects in nano-DESI MSI of phosphatidylcholine (PC) in normal and ischemic mouse brain tissue by doping the nano-DESI solvent with PC standards. Specifically, we use mouse brain tissue of a middle cerebral artery occlusion (MCAO) stroke model with an ischemic region localized to one hemisphere of the brain. Due to similar suppression in ionization of endogenous PC molecules extracted from the tissue and PC standards added to the solvent, matrix effects are eliminated by normalizing the intensity of the sodium and potassium adducts of endogenous PC to the intensity of the corresponding adduct of the PC standard. This approach efficiently compensates for signal variations resulting from differences in the local concentrations of sodium and potassium in tissue sections and from the complexity of the extracted analyte mixture derived from local variations in molecular composition.

  19. Trace elements in coal by glow discharge mass spectrometry

    SciTech Connect (OSTI)

    Jacobs, M.L.; Wilson, C.R.; Pestovich, J. Jr.

    1995-08-01

    A need and a demand exist for determining trace elements in coal and coal related by-products, especially those elements which may potentially be a health hazard. The provisions of the 1990 clean air act require that the EPA evaluate the emissions of electric utilities for trace elements and other potentially hazardous organic compounds. The coal fired electric utility industry supplies roughly 60% of the total generating capacity of 2,882,525 million kilowatt hours (nearly 3 trillion kilowatt hours) generated in the U.S. This is accomplished by 414 power plants scattered across the country that burned 813,508,000 short tons of coal in 1993. The relative volatility of some inorganic constituents in coal makes them more prone to be emitted to the atmosphere following combustion. The production of analytical data for trace elements is known to be a difficult task in coal and by-products of coal combustion (fly ash, bottom ash, gas streams, etc.), in terms of both sample collection and analytical determinations. There are several common analytical methods available to the analyst to determine trace elements in coal and coal by-products. In general analytical germs, the material to be analyzed can be totally solubilized (or extracted), or the elements analytes can be determined in the material as a solid. A relatively new elemental technique, Glow Discharge Mass Spectrometry (GDMS) can be used with solids as well. This new analytical technique had never before been applied directly to coal. The radio frequency-glow discharge quadropole mass spectrometer was used to analyze coal directly for the first time ever by rf-GDMS. The rf-GDMS technique is described.

  20. Investigations into the impact of transported particles on air pollution and climate using aerosol time-of-flight mass spectrometry

    E-Print Network [OSTI]

    Ault, Andrew Phillip

    2010-01-01

    a portable ATOFMS, Analytical Chemistry, 69 (20), 4083-4091,Mass- Spectrometry, Analytical Chemistry, 66 (9), 1403-1407,Mass Spectrometer, Analytical Chemistry, 81 (5), 1792-1800,

  1. Exploring gas-phase protein conformations by ion mobility-mass spectrometry 

    E-Print Network [OSTI]

    Faull, Peter Allen

    2009-01-01

    Analysis and characterisation of biomolecules using mass spectrometry has advanced over the past decade due to improvements in instrument design and capability; relevant use of complementary techniques; and available ...

  2. Metalation and Demetalation of Human Metallothionein Studied by Ion Mobility Mass Spectrometry 

    E-Print Network [OSTI]

    Chen, Shu-Hua

    2015-04-28

    The mechanism of cadmium binding to intact human metallothionein-2A (MT) is investigated. We describe two complementary mass spectrometry (MS) strategies to study the metalation/demetalation mechanism: (i) chemical labeling ...

  3. The effect of solvent on matrix-assisted laser desorption ionization mass spectrometry 

    E-Print Network [OSTI]

    Campo, Karen Kay

    1996-01-01

    Since its introduction in 1988, matrix-assisted laser desorption/ionization mass spectrometry (MALDI) has developed into a useful analytical tool in the biological field. The work presented here focuses on the effect of solvent on MALDI ion yields...

  4. Probing protein-ligand interactions via solution phase hydrogen exchange mass spectrometry 

    E-Print Network [OSTI]

    Esswein, Stefan Theo

    2010-01-01

    Mass spectrometry is a versatile, sensitive and fast technique with which to probe biophysical properties in biological systems and one of the most important analytical tools in the multidisciplinary field of proteomics. ...

  5. Development of Advanced Optics and High Resolution Instrumentation for Mass Spectrometry Based Proteomics 

    E-Print Network [OSTI]

    Sherrod, Stacy D.

    2010-01-14

    Imaging mass spectrometry (MS) analysis allows scientists the ability to obtain spatial and chemical information of analytes on a wide variety of surfaces. The ability to image biological analytes is an important tool in ...

  6. Fractal morphology, imaging and mass spectrometry of single aerosol particles in flight (CXIDB ID 16)

    DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]

    Loh, N. Duane

    2012-06-20

    This deposition includes the aerosol diffraction images used for phasing, fractal morphology, and time-of-flight mass spectrometry. Files in this deposition are ordered in subdirectories that reflect the specifics.

  7. Thermal degradation of deoxybenzoin polymers studied by pyrolysis-gas chromatography/mass spectrometry

    E-Print Network [OSTI]

    Thermal degradation of deoxybenzoin polymers studied by pyrolysis-gas chromatography Available online 29 March 2008 Keywords: Flame-retardant polymers Thermal degradation Pyrolysis by pyrolysis-gas chromatography/mass spectrometry (Py-GC/MS). The polymers were synthesized

  8. Measurements of Volatile Organic Compounds Using Proton Transfer Reaction - Mass Spectrometry during the MILAGRO 2006 Campaign

    E-Print Network [OSTI]

    Fortner, E. C.

    Volatile organic compounds (VOCs) were measured by proton transfer reaction – mass spectrometry (PTR-MS) on a rooftop in the urban mixed residential and industrial area North Northeast of downtown Mexico City as part of ...

  9. Fractal morphology, imaging and mass spectrometry of single aerosol particles in flight (CXIDB ID 16)

    DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]

    Loh, N. Duane

    This deposition includes the aerosol diffraction images used for phasing, fractal morphology, and time-of-flight mass spectrometry. Files in this deposition are ordered in subdirectories that reflect the specifics.

  10. A postsource decay study of bradykinin by Matrix-assisted laser desorption ionization mass spectrometry 

    E-Print Network [OSTI]

    Wei, Xiaona

    1996-01-01

    Matrix-assisted laser desorption/ionization (MALDI) with time-of-flight (TOF) mass spectrometry is a very powerful technique for the analysis of peptides and proteins. Fragmentation reactions of the protonated analyte molecule, [M+H]+ ions...

  11. CNT-based gas ionizers with integrated MEMS gate for portable mass spectrometry applications

    E-Print Network [OSTI]

    Velasquez-Garcia, Luis Fernando

    We report the fabrication and experimental characterization of a novel low-cost carbon nanotube (CNT)-based electron impact ionizer (EII) with integrated gate for portable mass spectrometry applications. The device achieves ...

  12. CNT-based MEMS/NEMS gas ionizers for portable mass spectrometry applications

    E-Print Network [OSTI]

    Velasquez-Heller, Luis Fernand

    We report the fabrication and experimental characterization of a carbon nanotube (CNT)-based MEMS/NEMS electron impact gas ionizer with an integrated extractor gate for portable mass spectrometry. The ionizer achieves ...

  13. Development of and Application of Plasmonic Nanomaterials for Mass Spectrometry Based Biosensing 

    E-Print Network [OSTI]

    Gamez, Roberto

    2014-05-05

    exhibited by gold (Au) and silver (Ag) nanomaterials have made for versatile platforms in a wide range of applications including surface plasmon biosensing techniques and laser desorption/ionization mass spectrometry (LDI-MS). A primary driver for this work...

  14. Nano-Domain Analysis Via Massive Cluster Secondary Ion Mass Spectrometry in the Event-by-Event Mode 

    E-Print Network [OSTI]

    Pinnick, Veronica Tiffany

    2011-02-22

    ) Veronica Tiffany Pinnick, B.A., Minot State University Chair of Advisory Committee: Dr. Emile A. Schweikert Secondary ion mass spectrometry (SIMS) is a surface analysis technique which characterizes species sputtered by an energetic particle beam... Tab le 2 -1. Cur rents of A u nq+ be ams expe rimen tall y mea sure d a t the tar ge t with a f ara da y c up. Th ese va lues a re r ep rese ntative of a stable L MIS. 19 Figu re 2 -3. S che matic o f the LI MS , lens a ssembl y a nd W...

  15. RAPID DETERMINATION OF 237 NP AND PU ISOTOPES IN WATER BY INDUCTIVELY COUPLED PLASMA MASS SPECTROMETRY AND ALPHA SPECTROMETRY

    SciTech Connect (OSTI)

    Maxwell, S.; Jones, V.; Culligan, B.; Nichols, S.; Noyes, G.

    2010-06-23

    A new method that allows rapid preconcentration and separation of plutonium and neptunium in water samples was developed for the measurement of {sup 237}Np and Pu isotopes by inductively-coupled plasma mass spectrometry (ICP-MS) and alpha spectrometry; a hybrid approach. {sup 238}U can interfere with {sup 239}Pu measurement by ICP-MS as {sup 238}UH{sup +} mass overlap and {sup 237}Np via peak tailing. The method provide enhanced removal of uranium by separating Pu and Np initially on TEVA Resin, then moving Pu to DGA resin for additional removal of uranium. The decontamination factor for uranium from Pu is almost 100,000 and the decontamination factor for U from Np is greater than 10,000. This method uses stacked extraction chromatography cartridges and vacuum box technology to facilitate rapid separations. Preconcentration is performed using a streamlined calcium phosphate precipitation method. Purified solutions are split between ICP-MS and alpha spectrometry so that long and short-lived Pu isotopes can be measured successfully. The method allows for simultaneous extraction of 20 samples (including QC samples) in 4 to 6 hours, and can also be used for emergency response. {sup 239}Pu, {sup 242}Pu and {sup 237}Np were measured by ICP-MS, while {sup 236}Pu, {sup 238}Pu, and {sup 239}Pu were measured by alpha spectrometry.

  16. Algorithms for Identifying Protein Cross-links via Tandem Mass Spectrometry

    E-Print Network [OSTI]

    Church, George M.

    Algorithms for Identifying Protein Cross-links via Tandem Mass Spectrometry Ting Chen Jake Ja e y mass spectrum. We designed fast and space-e cient algorithms for these two steps, and implemented-protein interactions and solving protein structures. We focus on new algorithms for interpretation of complex

  17. Femtosecond laser ablation-based mass spectrometry. An ideal tool for stoichiometric analysis of thin films

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    LaHaye, Nicole L.; Kurian, Jose; Diwakar, Prasoon K.; Alff, Lambert; Harilal, Sivanandan S.

    2015-08-19

    An accurate and routinely available method for stoichiometric analysis of thin films is a desideratum of modern materials science where a material’s properties depend sensitively on elemental composition. We thoroughly investigated femtosecond laser ablation-inductively coupled plasma-mass spectrometry (fs-LA-ICP-MS) as an analytical technique for determination of the stoichiometry of thin films down to the nanometer scale. The use of femtosecond laser ablation allows for precise removal of material with high spatial and depth resolution that can be coupled to an ICP-MS to obtain elemental and isotopic information. We used molecular beam epitaxy-grown thin films of LaPd(x)Sb2 and T´-La2CuO4 to demonstrate themore »capacity of fs-LA-ICP-MS for stoichiometric analysis and the spatial and depth resolution of the technique. Here we demonstrate that the stoichiometric information of thin films with a thickness of ~10 nm or lower can be determined. Furthermore, our results indicate that fs-LA-ICP-MS provides precise information on the thin film-substrate interface and is able to detect the interdiffusion of cations.« less

  18. Investigations into the impact of transported particles on air pollution and climate using aerosol time-of-flight mass spectrometry

    E-Print Network [OSTI]

    Ault, Andrew Phillip

    2010-01-01

    transport in INTEX-B, Atmospheric Chemistry Physics, 9 (19),mass spectrometry, Atmospheric Chemistry And Physics, 8 (prescribed fire plume, Atmospheric Chemistry And Physics,

  19. Algorithms for tandem mass spectrometry-based proteomics

    E-Print Network [OSTI]

    Frank, Ari Michael

    2008-01-01

    ed sequest algorithm. Analytical Chemistry 74, 5593– [138]of peptide ions. Analytical Chemistry 77, 4870–4882. [143]Tandem Mass Spectra. Analytical Chemistry, 77:4626-4639,

  20. Applications of Ionic Clusters in High Resolution Mass Spectrometry

    E-Print Network [OSTI]

    Leib, Ryan David

    2010-01-01

    16, 208-224. Belyayev, M. A. ; Cournoyer, J. J. ; Lin, C. ;Soc. 2003, 125, Li, X. J. ; Cournoyer, J. J. ; Lin, C. ;C. ; O'Connor, P. B. ; Cournoyer, J. J. J. Am. Soc. Mass

  1. Structural determination of intact proteins using mass spectrometry

    DOE Patents [OSTI]

    Kruppa, Gary (San Francisco, CA); Schoeniger, Joseph S. (Oakland, CA); Young, Malin M. (Livermore, CA)

    2008-05-06

    The present invention relates to novel methods of determining the sequence and structure of proteins. Specifically, the present invention allows for the analysis of intact proteins within a mass spectrometer. Therefore, preparatory separations need not be performed prior to introducing a protein sample into the mass spectrometer. Also disclosed herein are new instrumental developments for enhancing the signal from the desired modified proteins, methods for producing controlled protein fragments in the mass spectrometer, eliminating complex microseparations, and protein preparatory chemical steps necessary for cross-linking based protein structure determination.Additionally, the preferred method of the present invention involves the determination of protein structures utilizing a top-down analysis of protein structures to search for covalent modifications. In the preferred method, intact proteins are ionized and fragmented within the mass spectrometer.

  2. Isolation and Puification of Uranium Isotopes for Measurement by Mass-Spectrometry (233, 234, 235, 236, 238U) and Alpha Spectrometry (232U)

    SciTech Connect (OSTI)

    Marinelli, R; Hamilton, T; Brown, T; Marchetti, A; Williams, R; Tumey, S

    2006-05-30

    This report describes a standardized methodology used by researchers from the Center for Accelerator Mass Spectrometry (CAMS) (Energy and Environment Directorate) and the Environmental Radiochemistry Group (Chemistry and Materials Science Directorate) at the Lawrence Livermore National Laboratory (LLNL) for the full isotopic analysis of uranium from solution. The methodology has largely been developed for use in characterizing the uranium composition of selected nuclear materials but may also be applicable to environmental studies and assessments of public, military or occupational exposures to uranium using in-vitro bioassay monitoring techniques. Uranium isotope concentrations and isotopic ratios are measured using a combination of Multi Collector Inductively Coupled Plasma Mass Spectrometry (MC ICP-MS), Accelerator Mass Spectrometry (AMS) and Alpha Spectrometry.

  3. Laser photoionization time-of-flight mass spectrometry of nitrated polycyclic aromatic hydrocarbons and nitrated heterocyclic compounds. Master's thesis

    SciTech Connect (OSTI)

    Noyes, R.A.

    1993-01-01

    Partial Contents: Laser Desorption-Laser Photoionization Time-of-Flight Mass Spectrometry; Basic Principles of TOFMS; Factors Affecting Flight Time; Source of Broadening; Laser Desorption; Theory of Multiphoton Ionization: Application to Mass Spectrometry; Quantum Theory of MPI; Time-Dependent Perturbation Theory; Time-Dependent Coefficients; Probability of a Two-Photon Process; and Attributes of R2PI.

  4. OpenMSI: A High-Performance Web-Based Platform for Mass Spectrometry Imaging

    E-Print Network [OSTI]

    ), and the Low Dose Radiation Programs, which are supported by the Office of Science of the U.S. Department. Acknowledgements: This work was supported by and used resources of the National Energy Research Scientific Information ABSTRACT: Mass spectrometry imaging (MSI) enables research- ers to directly probe endogenous

  5. Human vitamin B12 absorption measurement by accelerator mass spectrometry using specifically

    E-Print Network [OSTI]

    Roth, John R.

    Human vitamin B12 absorption measurement by accelerator mass spectrometry using specifically to assimilate dietary vitamin B12. Assaying and understanding absorption and uptake of B12 is important because and showed plasma appearance and clearance curves consistent with the predicted behavior of the pure vitamin

  6. Apparatus and method for hydrogen and oxygen mass spectrometry of the terrestrial magnetosphere

    DOE Patents [OSTI]

    Funsten, Herbert O. (Los Alamos, NM); Dors, Eric E. (Los Alamos, NM); Harper, Ronnie W. (Los Alamos, NM); Reisenfeld, Daniel B. (Stevensville, MT)

    2007-05-15

    A detector element for mass spectrometry of a flux of heavy and light ions, that includes: a first detector to detect light ions that transit through a foil operatively placed in front of the first detector, and a second detector that detects the flux of heavy and light ions.

  7. MASS SPECTROMETRY | Ionization Methods Overview DJ Harvey, University of Oxford, Oxford, UK

    E-Print Network [OSTI]

    FD Field desorption FI Field ionization GC/MS Gas chromatography/mass spectrometry HPLC High/ionization SEND Surface-enhanced neat desorption SEPAR Surface-enhanced photolabile attachment and release SIMS and involatile molecules, desorption techniques using high electric fields or bombardment with fission fragments

  8. Characterization of surface and layered films with cluster secondary ion mass spectrometry 

    E-Print Network [OSTI]

    Li, Zhen

    2009-05-15

    Cluster secondary ion mass spectrometry (SIMS) analyses of layer-by-layer thin films were performed to investigate the depth/volume of SI emission and accuracy of the SI signal. The thin-layered samples were assembled by alternate adsorption...

  9. Multiplexed mass spectrometry for real-time sensing in a spatially programmable chemical vapor deposition reactor

    E-Print Network [OSTI]

    Rubloff, Gary W.

    in understanding and controlling chemical processes used in semiconductor fabrication. Given the complexity at any desired process design point, or 2 intentional nonuniformity to accelerate process optimization. This forms the basis for using real-time mass spectrometry to drive process sensing, metrology, and control

  10. "Weighing" Photon Energies with Mass Spectrometry: Effects of Water on Ion Fluorescence

    E-Print Network [OSTI]

    Neumark, Daniel M.

    "Weighing" Photon Energies with Mass Spectrometry: Effects of Water on Ion Fluorescence William A to internal energy can occur rapidly. The resulting energy is released by evaporating water molecules from results in a large number of water molecules lost from the reduced precursors.2 The energy deposited

  11. Apparatus for preparing a sample for mass spectrometry

    DOE Patents [OSTI]

    Villa-Aleman, E.

    1994-05-10

    An apparatus is described for preparing a sample for analysis by a mass spectrometer system. The apparatus has an entry chamber and an ionization chamber separated by a skimmer. A capacitor having two space-apart electrodes followed by one or more ion-imaging lenses is disposed in the ionization chamber. The chamber is evacuated and the capacitor is charged. A valve injects a sample gas in the form of sample pulses into the entry chamber. The pulse is collimated by the skimmer and enters the ionization chamber. When the sample pulse passes through the gap between the electrodes, it discharges the capacitor and is thereby ionized. The ions are focused by the imaging lenses and enter the mass analyzer, where their mass and charge are analyzed. 1 figures.

  12. Site-specific analysis of glycosylated proteins using mass spectrometry

    E-Print Network [OSTI]

    Irungu, Janet W.

    2008-01-16

    in Telsa, m in kilograms, r in meters, q in Coulombs, and v in meters per second. 25, 28, 30 As shown from equation 2, the cyclotron frequency is inversely proportional to the mass-to-charge ratio (m/q or m/z). All ions of the same m/q rotate... in Telsa, m in kilograms, r in meters, q in Coulombs, and v in meters per second. 25, 28, 30 As shown from equation 2, the cyclotron frequency is inversely proportional to the mass-to-charge ratio (m/q or m/z). All ions of the same m/q rotate...

  13. Explorations of Functionalized Gold Nanoparticle Surface Chemistry for Laser Desorption Ionization Mass Spectrometry Applications 

    E-Print Network [OSTI]

    Gomez Hernandez, Mario 1980-

    2012-07-11

    -MS Matrix Assisted Laser Desorption Ionization Mass Spectrometry AuNPs Gold Nanoparticles UV-Vis Ultraviolet-Visible Spectroscopy TEM Transmission Electron Microscopy NMR Nuclear Magnetic Resonance Spectroscopy RIY Relative Ion... including enhanced Rayleigh scattering,2 biological reaction catalysis,3 aggregation assays,4 surface enhanced Raman spectroscopy,5 and other applications known as nanobiotechnology.6 Therefore, it is the combination of the proven performance of mass...

  14. Secondary ion mass spectrometry (SIMS)! Seminar 4 (UN)!

    E-Print Network [OSTI]

    ?umer, Slobodan

    .1 Primary particle source! 7! 3.2 Primary ion column! 7! 3.3 Mass analyser! 8! 3.4 Detectors! 9! 4 of primary ions, secondary particles are emitted. Few of them are charged ions (secondary ions), which sensitivity it gives us information complementary to other spectroscopic techniques. This seminar reviews

  15. High explosives vapor detection by atmospheric sampling glow discharge ionization/tandem mass spectrometry

    SciTech Connect (OSTI)

    McLuckey, S.A.; Goeringer, D.E.; Asano, K.G.

    1996-02-01

    The combination of atmospheric sampling glow discharge ionization with tandem mass spectrometry for the detection of traces of high explosives is described. Particular emphasis is placed on use of the quadrupole ion trap as the type of tandem mass spectrometer. Atmospheric sampling glow discharge provides a simple, rugged, and efficient means for anion formation while the quadrupole ion trap provides for efficient tandem mass spectrometry. Mass selective ion accumulation and non-specific ion activation methods can be used to overcome deleterious effects arising from ion/ion interactions. Such interactions constitute the major potential technical barrier to the use of the ion trap for real-time monitoring of targeted compounds in uncontrolled and highly variable matrices. Tailored waveforms can be used to effect both mass selective ion accumulation and ion activation. Concatenated tailored waveforms allow for both functions in a single experiment thereby providing the capability for monitoring several targeted species simultaneously. The combination of atmospheric sampling glow discharge ionization with a state-of-the-art analytical quadrupole ion trap is a highly sensitive and specific detector for traces of high explosives. The combination is also small and inexpensive relative to virtually any other form of tandem mass spectrometry. The science and technology underlying the glow discharge/ion trap combination is sufficiently mature to form the basis for an engineering effort to make the detector portable. 85 refs.

  16. Model-based Pre-processing in Protein Mass Spectrometry 

    E-Print Network [OSTI]

    Wagaman, John C.

    2011-02-22

    with varied mass accuracy. . . . . . . . . . 77 x TABLE Page 12. Average number (and standard error) of misclassified spectra af- ter applying PPC to our model-based peaks, using different nor- malization techniques. Results in this table use all 89 spectra... to identify peak cluster locations and split points. . . . . . . . . . . . . 82 13. Leave-one-out cross-validation of misclassified spectra after apply- ing PPC, LADA and AdaBoost to our model-based peaks, using different normalization techniques and only...

  17. Plume collimation for laser ablation electrospray ionization mass spectrometry

    DOE Patents [OSTI]

    Vertes, Akos; Stolee, Jessica A.

    2014-09-09

    In various embodiments, a device may generally comprise a capillary having a first end and a second end; a laser to emit energy at a sample in the capillary to ablate the sample and generate an ablation plume in the capillary; an electrospray apparatus to generate an electrospray plume to intercept the ablation plume to produce ions; and a mass spectrometer having an ion transfer inlet to capture the ions. The ablation plume may comprise a collimated ablation plume. The device may comprise a flow cytometer. Methods of making and using the same are also described.

  18. Monitoring Trace Radionuclides by ICP Mass Spectrometry with Femtosecond

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    AFDC Printable Version Share this resource Send a link to EERE: Alternative Fuels Data Center Home Page to someone by E-mail Share EERE: Alternative Fuels Data Center Home Page on Facebook Tweet about EERE: Alternative Fuels Data Center Home Page on Twitter Bookmark EERE: Alternative Fuels Data Center Homesum_a_epg0_fpd_mmcf_m.xls" ,"Available from WebQuantityBonneville Power Administration wouldMass map shines light on77 PAGEMissionStress New Webpage We have a newJul 139Laser

  19. Method Development and Application of Mass Spectrometry Imaging for

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    AFDC Printable Version Share this resource Send a link to EERE: Alternative Fuels Data Center Home Page to someone by E-mail Share EERE: Alternative Fuels Data Center Home Page on Facebook Tweet about EERE: Alternative Fuels Data Center Home Page on Twitter Bookmark EERE: Alternative Fuels Data Center Homesum_a_epg0_fpd_mmcf_m.xls" ,"Available from WebQuantityBonneville Power Administration wouldMass map shines light on dark matter ByMentor-ProtegeFromGas Hydrates R&D

  20. New constraints on methane fluxes and rates of anaerobic methane oxidation in a Gulf of Mexico brine pool via in situ mass spectrometry

    E-Print Network [OSTI]

    Girguis, Peter R.

    brine pool via in situ mass spectrometry Scott D. Wankel a , Samantha B. Joye b , Vladimir A. Samarkin b

  1. Sampling probe for microarray read out using electrospray mass spectrometry

    DOE Patents [OSTI]

    Van Berkel, Gary J.

    2004-10-12

    An automated electrospray based sampling system and method for analysis obtains samples from surface array spots having analytes. The system includes at least one probe, the probe including an inlet for flowing at least one eluting solvent to respective ones of a plurality of spots and an outlet for directing the analyte away from the spots. An automatic positioning system is provided for translating the probe relative to the spots to permit sampling of any spot. An electrospray ion source having an input fluidicly connected to the probe receives the analyte and generates ions from the analyte. The ion source provides the generated ions to a structure for analysis to identify the analyte, preferably being a mass spectrometer. The probe can be a surface contact probe, where the probe forms an enclosing seal along the periphery of the array spot surface.

  2. "MS-Patch-Clamp" or the Possibility of Mass Spectrometry Hybridization with Patch-Clamp Setups for Single Cell Metabolomics and Channelomics

    E-Print Network [OSTI]

    O. V. Gradov; M. A. Gradova

    2015-11-22

    In this projecting work we propose a mass spectrometric patch-clamp equipment with the capillary performing both a local potential registration at the cell membrane and the analyte suction simultaneously. This paper provides a current literature analysis comparing the possibilities of the novel approach proposed with the known methods, such as scanning patch-clamp, scanning ion conductance microscopy, patch clamp based on scanning probe microscopy technology, quantitative subcellular secondary ion mass spectrometry or "ion microscopy", live single-cell mass spectrometry, in situ cell-by-cell imaging, single-cell video-mass spectrometry, etc. We also consider the ways to improve the informativeness of these methods and particularly emphasize the trend at the increasing of the analysis complexity. We propose here the way to improve the efficiency of the cell trapping to the capillary during MS-path-clamp, as well as to provide laser surface ionization using laser trapping and tweezing of cells with the laser beam transmitted through the capillary as a waveguide. It is also possible to combine the above system with the microcolumn separation system or capillary electrophoresis as an optional direction of further development of the complex of analytical techniques emerging from the MS variation of patch-clamp.

  3. Mass Spectrometry Data from the Biological MS Data and Software Distribution Center

    DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]

    Anderson, Gordon

    The mass spectrometry capabilities at Pacific Northwest National Laboratory (PNNL) are primarily applied to biological research, with an emphasis on proteomics and metabolomics. Many of these cutting-edge mass spectrometry capabilities and bioinformatics methods are housed in the Department of Energy's Environmental Molecular Sciences Laboratory (EMSL), a national scientific user facility operated by PNNL. These capabilities have been developed and acquired through cooperation between the EMSL national scientific user program and PNNL programmatic research. At the website of the Biological MS Data and Software Distribution Center, the following resources are made available: PNNL-developed software tools and source code, PNNL-generated raw data and processed results, links to publications that used the data and results available on this site, and tutorials and user manuals. [taken from http://omics.pnl.gov/

  4. Measurement of positional isotope exchange rates in enzyme catalyzed reactions by fast atom bombardment mass spectrometry 

    E-Print Network [OSTI]

    Hilscher, Larry Wayne

    1985-01-01

    utility in analyzing a wide array of biological compounds. Our laboratory became interested in the potential use of FAB-MS to study PIX in nucleotide . Working with Dr. David H. Russell's group (Dept. of Chemistry, Texas A A M University) we were able...MEASUREMENT OF POSITIONAL ISOTOPE EXCHANGE RATES IN ENZYME CATALYZED REACTIONS BY FAST ATOM BOMBARDMENT MASS SPECTROMETRY A Thesis by LARRY NAYNE HILSCHER Submitted to the Gradu te College of Texas A&M University in partial fulfil" mert...

  5. Determination of atmospheric carbonyl sulfide by isotope dilution gas chromatography/mass spectrometry

    SciTech Connect (OSTI)

    Lewin, E.E.; Taggart, R.L.; Lalevic, M.; Bandy, A.R.

    1987-05-01

    A gas chromatography/mass spectrometry (GB/MS) method for determining atmospheric carbonyl sulfide (OCS) with a precision better than 2% is reported. High precision and insensitivity to sample loss and changes in detector response were achieved by using isotopically labeled OCS as an internal standard. Tenax, Molecular Sieve 5A, Carbosieve B, and Carbosieve S were evaluated for collecting atmospheric OCS. Molecular Sieve 5A provided the best trapping and recovery efficiencies.

  6. Method Development of Characterization of N-linked Glycoproteins in Mass Spectrometry

    E-Print Network [OSTI]

    Zhang, Ying

    2008-02-25

    single ion. 21 This process is called Coulomb fission. 2, 13, 15, 24 Another proposed mechanism for ion formation is ion evaporation, in which the charged droplets become smaller by releasing one charged ion at a time, until the whole droplet... ionization process; the ions are transferred from liquid phase to gas phase via two mechanisms: (A) Coulomb fission and (B) Ion evaporation. (Adapted from Chhabil Dass, Fundamentals of Contemporary Mass Spectrometry, Wiley-interscience, New York, 2007...

  7. Statistical Methods for the Analysis of Mass Spectrometry-based Proteomics Data 

    E-Print Network [OSTI]

    Wang, Xuan

    2012-07-16

    was sponsored by a subcontract from PNNL and by the NIH R25-CA-90301 training grant at TAMU. Additional support was provided by KAUST-IAMCS Innovation grant, by NIH grant DK070146 and by the National Institute of Allergy and Infectious Diseases (NIH...CMass spectrometry M/Z Mass over charge ratio NET Normalized elution time NMC Number of missed cleavage sites NTE Number of tryptic ends PEP Posterior error probability PM Potential matches PMF Probability mass function PNNL Paci c northwest national...

  8. Standard test method for uranium and plutonium concentrations and isotopic abundances by thermal ionization mass spectrometry

    E-Print Network [OSTI]

    American Society for Testing and Materials. Philadelphia

    2005-01-01

    1.1 This test method covers the determination of the concentration and isotopic composition of uranium and plutonium in solutions. The purified uranium or plutonium from samples ranging from nuclear materials to environmental or bioassay matrices is loaded onto a mass spectrometric filament. The isotopic ratio is determined by thermal ionization mass spectrometry, the concentration is determined by isotope dilution. 1.2 This standard does not purport to address all of the safety concerns, if any, associated with its use. It is the responsibility of the user of this standard to establish safety and health practices and determine the applicability of regulatory limitations prior to use.

  9. Application of coincidence ion mass spectrometry for chemical and structural analysis at the sub-micron scale 

    E-Print Network [OSTI]

    Balderas, Sara

    2005-11-01

    the chemical composition of nano-domains. Previous studies using coincidence counting mass spectrometry (CCMS) indicated an enhancement of identifying correlations between SIs which share a common origin. This variant of SIMS requires an individual projectile...

  10. Airborne and ground based measurements of volatile organic compounds using proton transfer reaction mass spectrometry in Texas and Mexico City 

    E-Print Network [OSTI]

    Fortner, Edward Charles

    2009-05-15

    Measurements of ambient volatile organic compounds (VOCs) by proton transfer reaction mass spectrometry (PTR-MS) are reported from recent airborne and surface based field campaigns. The Southeast Texas Tetroon Study (SETTS) ...

  11. An On-Target Performic Acid Oxidation Method Suitable for Disulfide Bond Elucidation Using Capillary Electrophoresis - Mass Spectrometry 

    E-Print Network [OSTI]

    Williams, Brad J.

    2011-08-08

    advancements, the detection and proper assignment of disulfide bonds have remained experimentally difficult. Therefore, we have developed an alternative method for disulfide bond elucidation using capillary electrophoresis-mass spectrometry (CE-MS) combined...

  12. ORGANIC MASS SPECTROMETRY,VOL. 23,54-56 (1988) Thermochemical vs. Kinetic Control of Reactions in an Ion Trap Mass

    E-Print Network [OSTI]

    Wysocki, Vicki H.

    1988-01-01

    ORGANIC MASS SPECTROMETRY,VOL. 23,54-56 (1988) OMS Letter Dear Sir Thermochemical vs. Kinetic energies. 519 REACTlON COORDINATE Figure 1. Enthalpies associated with deamination and dehydratt o n

  13. An Analysis of Nuclear Fuel Burnup in the AGR 1 TRISO Fuel Experiment Using Gamma Spectrometry, Mass Spectrometry, and Computational Simulation Techniques

    SciTech Connect (OSTI)

    Jason M. Harp; Paul A. Demkowicz; Phillip L. Winston; James W. Sterbentz

    2014-10-01

    AGR 1 was the first in a series of experiments designed to test US TRISO fuel under high temperature gas-cooled reactor irradiation conditions. This experiment was irradiated in the Advanced Test Reactor (ATR) at Idaho National Laboratory (INL) and is currently undergoing post irradiation examination (PIE) at INL and Oak Ridge National Laboratory. One component of the AGR 1 PIE is the experimental evaluation of the burnup of the fuel by two separate techniques. Gamma spectrometry was used to non destructively evaluate the burnup of all 72 of the TRISO fuel compacts that comprised the AGR 1 experiment. Two methods for evaluating burnup by gamma spectrometry were developed, one based on the Cs 137 activity and the other based on the ratio of Cs 134 and Cs 137 activities. Burnup values determined from both methods compared well with the values predicted from simulations. The highest measured burnup was 20.1 %FIMA for the direct method and 20.0 %FIMA for the ratio method (compared to 19.56% FIMA from simulations). An advantage of the ratio method is that the burnup of the cylindrical fuel compacts can determined in small (2.5 mm) axial increments and an axial burnup profile can be produced. Destructive chemical analysis by inductively coupled mass spectrometry (ICP MS) was then performed on selected compacts that were representative of the expected range of fuel burnups in the experiment to compare with the burnup values determined by gamma spectrometry. The compacts analyzed by mass spectrometry had a burnup range of 19.3 % FIMA to 10.7 % FIMA. The mass spectrometry evaluation of burnup for the four compacts agreed well with the gamma spectrometry burnup evaluations and the expected burnup from simulation. For all four compacts analyzed by mass spectrometry, the maximum range in the three experimentally determined values and the predicted value was 6% or less. The results confirm the accuracy of the nondestructive burnup evaluation from gamma spectrometry for TRISO fuel compacts across a burnup range of approximately 10 to 20 % FIMA and also validate the approach used in the physics simulation of the AGR 1 experiment.

  14. Analytical Validation of Accelerator Mass Spectrometry for Pharmaceutical Development: the Measurement of Carbon-14 Isotope Ratio.

    SciTech Connect (OSTI)

    Keck, B D; Ognibene, T; Vogel, J S

    2010-02-05

    Accelerator mass spectrometry (AMS) is an isotope based measurement technology that utilizes carbon-14 labeled compounds in the pharmaceutical development process to measure compounds at very low concentrations, empowers microdosing as an investigational tool, and extends the utility of {sup 14}C labeled compounds to dramatically lower levels. It is a form of isotope ratio mass spectrometry that can provide either measurements of total compound equivalents or, when coupled to separation technology such as chromatography, quantitation of specific compounds. The properties of AMS as a measurement technique are investigated here, and the parameters of method validation are shown. AMS, independent of any separation technique to which it may be coupled, is shown to be accurate, linear, precise, and robust. As the sensitivity and universality of AMS is constantly being explored and expanded, this work underpins many areas of pharmaceutical development including drug metabolism as well as absorption, distribution and excretion of pharmaceutical compounds as a fundamental step in drug development. The validation parameters for pharmaceutical analyses were examined for the accelerator mass spectrometry measurement of {sup 14}C/C ratio, independent of chemical separation procedures. The isotope ratio measurement was specific (owing to the {sup 14}C label), stable across samples storage conditions for at least one year, linear over 4 orders of magnitude with an analytical range from one tenth Modern to at least 2000 Modern (instrument specific). Further, accuracy was excellent between 1 and 3 percent while precision expressed as coefficient of variation is between 1 and 6% determined primarily by radiocarbon content and the time spent analyzing a sample. Sensitivity, expressed as LOD and LLOQ was 1 and 10 attomoles of carbon-14 (which can be expressed as compound equivalents) and for a typical small molecule labeled at 10% incorporated with {sup 14}C corresponds to 30 fg equivalents. AMS provides an sensitive, accurate and precise method of measuring drug compounds in biological matrices.

  15. Controlled-Resonant Surface Tapping-Mode Scanning Probe Electrospray Ionization Mass Spectrometry Imaging

    SciTech Connect (OSTI)

    Lorenz, Matthias; Ovchinnikova, Olga S; Kertesz, Vilmos; Van Berkel, Gary J

    2014-01-01

    This paper reports on the advancement of a controlled-resonance surface tapping-mode single capillary liquid junction extraction/ESI emitter for mass spectrometry imaging. The basic instrumental setup and the general operation of the system were discussed and optimized performance metrics were presented. The ability to spot sample, lane scan and chemically image in an automated and controlled fashion were demonstrated. Rapid, automated spot sampling was demonstrated for a variety of compound types including the cationic dye basic blue 7, the oligosaccharide cellopentaose, and the protein equine heart cytochrome c. The system was used for lane scanning and chemical imaging of the cationic dye crystal violet in inked lines on glass and for lipid distributions in mouse brain thin tissue sections. Imaging of the lipids in mouse brain tissue under optimized conditions provided a spatial resolution of approximately 35 m based on the ability to distinguish between features observed both in the optical and mass spectral chemical images. The sampling spatial resolution of this system was comparable to the best resolution that has been reported for other types of atmospheric pressure liquid extraction-based surface sampling/ionization techniques used for mass spectrometry imaging.

  16. Technological advances in the University of Washington accelerator mass spectrometry system

    SciTech Connect (OSTI)

    Farwell, G.W.; Grootes, P.M.; Leach, D.D.; Schmidt, F.H.

    1983-01-01

    During the past year we have continued to work toward greater stability and flexibility in nearly all elements of our accelerator mass spectrometry (AMS) system, which is based upon an FN tandem Van de Graaff accelerator, and have carried out measurements of /sup 14/C//sup 12/C and /sup 10/Be//sup 9/Be isotopic abundance ratios in natural samples. The principal recent developments and improvements in the accelerator system and in our sample preparation techniques for carbon beryllium are discussed, and the results of a study of /sup 10/Be cross-contamination of beryllium samples in the sputter ion source are presented.

  17. Direct Surface Analysis of Time-Resolved Aerosol Impactor Samples with Ultrahigh-Resolution Mass Spectrometry

    E-Print Network [OSTI]

    Fuller, Stephen J.; Zhao, Yongjing; Cliff, Steven S.; Wexler, Anthony S.; Kalberer, Markus

    2012-10-18

    was assumed to be correct. Unfortunately due to the generally low peak intensities of the identified species MS-MS analysis for further structural identification was not possible. Only about 10-15% of the peaks contain a sulfur atom and are not further... 1 Direct surface analysis of time-resolved aerosol impactor samples with ultra-high resolution mass spectrometry Stephen J. Fuller 1, Yongjing Zhao2, Steven S. Cliff2, Anthony S. Wexler2, Markus Kalberer 1* 1 University of Cambridge, Department...

  18. 230Th-234U Age-Dating Uranium by Mass Spectrometry

    SciTech Connect (OSTI)

    Williams, R W; Gaffney, A M

    2012-04-18

    This is the standard operating procedure used by the Isotope Ratio Mass Spectrometry Group of the Chemical Sciences Division at LLNL for the preparation of a sample of uranium oxide or uranium metal for {sup 230}Th-{sup 234}U age-dating. The method described here includes the dissolution of a sample of uranium oxide or uranium metal, preparation of a secondary dilution, spiking of separate aliquots for uranium and thorium isotope dilution measurements, and purification of uranium and thorium aliquots for mass spectrometry. This SOP may be applied to uranium samples of unknown purity as in a nuclear forensic investigation, and also to well-characterized samples such as, for example, U{sub 3}O{sub 8} and U-metal certified reference materials. The sample of uranium is transferred to a quartz or PFA vial, concentrated nitric acid is added and the sample is heated on a hotplate at approximately 100 C for several hours until it dissolves. The sample solution is diluted with water to make the solution approximately 4 M HNO{sub 3} and hydrofluoric acid is added to make it 0.05 M HF. A secondary dilution of the primary uranium solution is prepared. Separate aliquots for uranium and thorium isotope dilution measurements are taken and spiked with {sup 233}U and {sup 229}Th, respectively. The spiked aliquot for uranium isotope dilution analysis is purified using EiChrom UTEVA resin. The spiked aliquot for thorium isotope dilution analysis is purified by, first, a 1.8 mL AG1x8 resin bed in 9 M HCl on which U adsorbs and Th passes through; second, adsorbing Th on a 1 mL AG1x8 resin bed in 8 M HNO{sub 3} and then eluting it with 9 M HCl followed by 0.1 M HCl + 0.005 M HF; and third, by passing the Th through a final 1.0 mL AG1x8 resin bed in 9 M HCl. The mass spectrometry is performed using the procedure 'Th and U Mass Spectrometry for {sup 230}Th-{sup 234}U Age Dating'.

  19. An Open Port Sampling Interface for Liquid Introduction Atmospheric Pressure Ionization Mass Spectrometry

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Van Berkel, Gary J.; Kertesz, Vilmos

    2015-08-25

    RATIONALE: A simple method to introduce unprocessed samples into a solvent for rapid characterization by liquid introduction atmospheric pressure ionization mass spectrometry has been lacking. The continuous flow, self-cleaning open port sampling interface introduced here fills this void. METHODS: The open port sampling interface used a vertically aligned, co-axial tube arrangement enabling solvent delivery to the sampling end of the device through the tubing annulus and solvent aspiration down the center tube and into the mass spectrometer ionization source via the commercial APCI emitter probe. The solvent delivery rate to the interface was set to exceed the aspiration rate creatingmore »a continuous sampling interface along with a constant, self-cleaning spillover of solvent from the top of the probe. RESULTS: Using the open port sampling interface with positive ion mode APCI and a hybrid quadrupole time of flight mass spectrometer, rapid, direct sampling and analysis possibilities are exemplified with plastics, ballpoint and felt tip ink pens, skin, and vegetable oils. These results demonstrated that the open port sampling interface could be used as a simple, versatile and self-cleaning system to rapidly introduce multiple types of unprocessed, sometimes highly concentrated and complex, samples into a solvent flow stream for subsequent ionization and analysis by mass spectrometry. The basic setup presented here could be incorporated with any self-aspirating liquid introduction ionization source (e.g., ESI, APCI, APPI, ICP, etc.) or any type of atmospheric pressure sampling ready mass spectrometer system. CONCLUSIONS: The open port sampling interface provides a means to introduce and quickly analyze unprocessed solid or liquid samples with liquid introduction atmospheric pressure ionization source without fear of sampling interface or ionization source contamination.« less

  20. Comparison of FTIR and Particle Mass Spectrometry for the Measurement of Paticulate Organic Nitrates

    SciTech Connect (OSTI)

    Bruns, Emily; Perraud, Veronique; Zelenyuk, Alla; Ezell, Michael J.; Johnson, Stanley N.; Yu, Yong; Imre, D.; Finlayson-Pitts, Barbara J.; Alexander, M. L.

    2010-02-01

    While multifunctional organic nitrates are formed during the atmospheric oxidation of volatile organic compounds, relatively little is known about their signatures in particle mass spectrometers. High resolution time-of-flight aerosol mass spectrometry (HR-ToF-AMS) was applied to NH4NO3, NaNO3 and isosorbide 5-mononitrate (IMN) particles, and to secondary organic aerosol (SOA) from NO3 radical reactions at 22 C and 1 atm in air with and pinene, 3-carene, limonene and isoprene. For comparison, single particle laser ablation mass spectra (SPLAT II) were also obtained for IMN and SOA from the pinene reaction. The mass spectra of all particles exhibit significant intensity at m/z 30, and for the SOA, weak peaks corresponding to various organic fragments containing nitrogen [CxHyNzOa]+ were identified using HR-ToF-AMS. The NO+/NO2+ ratios from HR-ToF-AMS were 10-15 for IMN and the SOA from the and pinene, 3-carene and limonene reactions, ~5 for the isoprene reaction, 2.4 for NH4NO3 and 80 for NaNO3. The N/H ratios from HR-ToF-AMS for the SOA were smaller by a factor of 2 to 4 than the -ONO2/C-H ratios measured using FTIR on particles impacted on ZnSe windows. While the NO+/NO2+ ratio may provide a generic indication of organic nitrates under some conditions, specific identification of particulate organic nitrates awaits further development of particle mass spectrometry techniques.

  1. Ultra-high-mass mass spectrometry with charge discrimination using cryogenic detectors

    DOE Patents [OSTI]

    Frank, Matthias (Berkeley, CA); Mears, Carl A. (Oakland, CA); Labov, Simon E. (Berkeley, CA); Benner, W. Henry (Danville, CA)

    1999-01-01

    An ultra-high-mass time-of-flight mass spectrometer using a cryogenic particle detector as an ion detector with charge discriminating capabilities. Cryogenic detectors have the potential for significantly improving the performance and sensitivity of time-of-flight mass spectrometers, and compared to ion multipliers they exhibit superior sensitivity for high-mass, slow-moving macromolecular ions and can be used as "stop" detectors in time-of-flight applications. In addition, their energy resolving capability can be used to measure the charge state of the ions. Charge discrimination is very valuable in all time-of-flight mass spectrometers. Using a cryogenically-cooled Nb-Al.sub.2 O.sub.3 -Nb superconductor-insulator-superconductor (SIS) tunnel junction (STJ) detector operating at 1.3 K as an ion detector in a time-of-flight mass spectrometer for large biomolecules it was found that the STJ detector has charge discrimination capabilities. Since the cryogenic STJ detector responds to ion energy and does not rely on secondary electron production, as in the conventionally used microchannel plate (MCP) detectors, the cryogenic detector therefore detects large molecular ions with a velocity-independent efficiency approaching 100%.

  2. Development of A Cryogenic Drift Cell Spectrometer and Methods for Improving the Analytical Figures of Merit for Ion Mobility-Mass Spectrometry Analysis 

    E-Print Network [OSTI]

    May, Jody C.

    2010-10-12

    A cryogenic (325-80 K) ion mobility-mass spectrometer was designed and constructed in order to improve the analytical figures-of-merit for the chemical analysis of small mass analytes using ion mobility-mass spectrometry. ...

  3. Multi-matrix, dual polarity, tandem mass spectrometry imaging strategy applied to a germinated maize seed. Toward mass spectrometry imaging of an untargeted metabolome

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Feenstra, Adam D.; Hansen, Rebecca L.; Lee, Young Jin

    2015-08-27

    Mass spectrometry imaging (MSI) provides high spatial resolution information that is unprecedented in traditional metabolomics analyses; however, the molecular coverage is often limited to a handful of compounds and is insufficient to understand overall metabolomic changes of a biological system. Here, we propose an MSI methodology to increase the diversity of chemical compounds that can be imaged and identified, in order to eventually perform untargeted metabolomic analysis using MSI. We use the desorption/ionization bias of various matrixes for different metabolite classes along with dual polarities and a tandem MSI strategy. The use of multiple matrixes and dual polarities allows usmore »to visualize various classes of compounds, while data-dependent MS/MS spectra acquired in the same MSI scans allow us to identify the compounds directly on the tissue. In a proof of concept application to a germinated corn seed, a total of 166 unique ions were determined to have high-quality MS/MS spectra, without counting structural isomers, of which 52 were identified as unique compounds. According to an estimation based on precursor MSI datasets, we expect over five hundred metabolites could be potentially identified and visualized once all experimental conditions are optimized and an MS/MS library is available. Finally, metabolites involved in the glycolysis pathway and tricarboxylic acid cycle were imaged to demonstrate the potential of this technology to better understand metabolic biology.« less

  4. Final LDRD report : development of sample preparation methods for ChIPMA-based imaging mass spectrometry of tissue samples.

    SciTech Connect (OSTI)

    Maharrey, Sean P.; Highley, Aaron M.; Behrens, Richard, Jr.; Wiese-Smith, Deneille

    2007-12-01

    The objective of this short-term LDRD project was to acquire the tools needed to use our chemical imaging precision mass analyzer (ChIPMA) instrument to analyze tissue samples. This effort was an outgrowth of discussions with oncologists on the need to find the cellular origin of signals in mass spectra of serum samples, which provide biomarkers for ovarian cancer. The ultimate goal would be to collect chemical images of biopsy samples allowing the chemical images of diseased and nondiseased sections of a sample to be compared. The equipment needed to prepare tissue samples have been acquired and built. This equipment includes an cyro-ultramicrotome for preparing thin sections of samples and a coating unit. The coating unit uses an electrospray system to deposit small droplets of a UV-photo absorbing compound on the surface of the tissue samples. Both units are operational. The tissue sample must be coated with the organic compound to enable matrix assisted laser desorption/ionization (MALDI) and matrix enhanced secondary ion mass spectrometry (ME-SIMS) measurements with the ChIPMA instrument Initial plans to test the sample preparation using human tissue samples required development of administrative procedures beyond the scope of this LDRD. Hence, it was decided to make two types of measurements: (1) Testing the spatial resolution of ME-SIMS by preparing a substrate coated with a mixture of an organic matrix and a bio standard and etching a defined pattern in the coating using a liquid metal ion beam, and (2) preparing and imaging C. elegans worms. Difficulties arose in sectioning the C. elegans for analysis and funds and time to overcome these difficulties were not available in this project. The facilities are now available for preparing biological samples for analysis with the ChIPMA instrument. Some further investment of time and resources in sample preparation should make this a useful tool for chemical imaging applications.

  5. The Ramsey method in high-precision mass spectrometry with Penning traps: Experimental results

    E-Print Network [OSTI]

    S. George; K. Blaum; F. Herfurth; A. Herlert; M. Kretzschmar; S. Nagy; S. Schwarz; L. Schweikhard; C. Yazidjian

    2007-01-22

    The highest precision in direct mass measurements is obtained with Penning trap mass spectrometry. Most experiments use the interconversion of the magnetron and cyclotron motional modes of the stored ion due to excitation by external radiofrequency-quadrupole fields. In this work a new excitation scheme, Ramsey's method of time-separated oscillatory fields, has been successfully tested. It has been shown to reduce significantly the uncertainty in the determination of the cyclotron frequency and thus of the ion mass of interest. The theoretical description of the ion motion excited with Ramsey's method in a Penning trap and subsequently the calculation of the resonance line shapes for different excitation times, pulse structures, and detunings of the quadrupole field has been carried out in a quantum mechanical framework and is discussed in detail in the preceding article in this journal by M. Kretzschmar. Here, the new excitation technique has been applied with the ISOLTRAP mass spectrometer at ISOLDE/CERN for mass measurements on stable as well as short-lived nuclides. The experimental resonances are in agreement with the theoretical predictions and a precision gain close to a factor of four was achieved compared to the use of the conventional excitation technique.

  6. Mass spectrometer with electron source for reducing space charge effects in sample beam

    DOE Patents [OSTI]

    Houk, Robert S.; Praphairaksit, Narong

    2003-10-14

    A mass spectrometer includes an ion source which generates a beam including positive ions, a sampling interface which extracts a portion of the beam from the ion source to form a sample beam that travels along a path and has an excess of positive ions over at least part of the path, thereby causing space charge effects to occur in the sample beam due to the excess of positive ions in the sample beam, an electron source which adds electrons to the sample beam to reduce space charge repulsion between the positive ions in the sample beam, thereby reducing the space charge effects in the sample beam and producing a sample beam having reduced space charge effects, and a mass analyzer which analyzes the sample beam having reduced space charge effects.

  7. Molecular beam mass spectrometric characterization of biomass pyrolysis products for fuels and chemicals

    SciTech Connect (OSTI)

    Agblevor, F.A.; Davis, M.F.; Evans, R.J. [National Renewal Energy Lab., Golden, CO (United States)

    1994-12-31

    Converting biomass feedstocks to fuels and chemicals requires rapid characterization of the wide variety of possible feedstocks. The combination of pyrolysis molecular beam mass spectrometry (Py-MBMS) and multivariate statistical analysis offers a unique capability for characterizing these feedstocks. Herbaceous and woody biomass feedstocks that were harvested at different periods were used in this study. The pyrolysis mass spectral data were acquired in real time on the MBMS, and multivariate statistical analysis (factor analysis) was used to analyze and classify Py-MBMS data into compound classes. The effect of harvest times on the thermal conversion of these feedstocks was assessed from these data. Apart from sericea lespedeza, the influence of harvest time on the pyrolysis products of the various feedstocks was insignificant. For sericea lespedeza, samples harvested before plant defoliation were significantly different from those harvested after defoliation. The defoliated plant samples had higher carbohydrate-derived pyrolysis products than the samples obtained from the foliated plant. Additionally, char yields from the defoliated plant samples were lower than those from the foliated plant samples.

  8. Standard test method for isotopic abundance analysis of uranium hexa?uoride and uranyl nitrate solutions by multi-collector, inductively coupled plasma-mass spectrometry

    E-Print Network [OSTI]

    American Society for Testing and Materials. Philadelphia

    2008-01-01

    Standard test method for isotopic abundance analysis of uranium hexa?uoride and uranyl nitrate solutions by multi-collector, inductively coupled plasma-mass spectrometry

  9. Cross-Linking and Mass Spectrometry Methodologies to Facilitate Structural Biology: Finding a Path through the Maze

    SciTech Connect (OSTI)

    Merkley, Eric D.; Cort, John R.; Adkins, Joshua N.

    2013-09-01

    Multiprotein complexes, rather than individual proteins, make up a large part of the biological macromolecular machinery of a cell. Understanding the structure and organization of these complexes is critical to understanding cellular function. Chemical cross-linking coupled with mass spectrometry is emerging as a complementary technique to traditional structural biology methods and can provide low-resolution structural information for a multitude of purposes, such as distance constraints in computational modeling of protein complexes. In this review, we discuss the experimental considerations for successful application of chemical cross-linking-mass spectrometry in biological studies and highlight three examples of such studies from the recent literature. These examples (as well as many others) illustrate the utility of a chemical cross-linking-mass spectrometry approach in facilitating structural analysis of large and challenging complexes.

  10. Detecting and Removing Data Artifacts in Hadamard Transform Ion Mobility-Mass Spectrometry Measurements

    SciTech Connect (OSTI)

    Prost, Spencer A.; Crowell, Kevin L.; Baker, Erin Shammel; Ibrahim, Yehia M.; Clowers, Brian H.; Monroe, Matthew E.; Anderson, Gordon A.; Smith, Richard D.; Payne, Samuel H.

    2014-12-01

    Applying Hadamard transform multiplexing to ion mobility separations (IMS) can significantly improve the signal-to-noise ratio and throughput for IMS coupled mass spectrometry (MS) measurements by increasing the ion utilization efficiency. However, it has been determined that both fluctuations in ion intensity as well as spatial shifts in the multiplexed data lower the signal-to-noise ratios and appear as noise in downstream processing of the data. To address this problem, we have developed a novel algorithm that discovers and eliminates data artifacts. The algorithm uses knowledge of the true signal peaks derived from the encoded data and allows for both artifacts and noise to be removed with high confidence, decreasing the likelihood of false identifications in subsequent data processing. The result is that IMS-MS can be applied to increase measurement sensitivity while avoiding artifacts that have previously limited its utility.

  11. A Hybrid Approach to Protein Differential Expression in Mass Spectrometry-Based Proteomics

    SciTech Connect (OSTI)

    Wang, Xuan; Anderson, Gordon A.; Smith, Richard D.; Dabney, Alan R.

    2012-04-19

    Motivation: Quantitative mass spectrometry-based proteomics involves statistical inference on protein abundance, based on the intensities of each protein's associated spectral peaks. However, typical MS-based proteomics data sets have substantial proportions of missing observations, due at least in part to censoring of low intensities. This complicates intensity-based differential expression analysis. Results: We outline a statistical method for protein differential expression, based on a simple Binomial likelihood. By modeling peak intensities as binary, in terms of 'presence/ absence,' we enable the selection of proteins not typically amendable to quantitative analysis; e.g., 'one-state' proteins that are present in one condition but absent in another. In addition, we present an analysis protocol that combines quantitative and presence/ absence analysis of a given data set in a principled way, resulting in a single list of selected proteins with a single associated FDR.

  12. Inductively Coupled Plasma: Fundamental Particle Investigations with Laser Ablation and Applications in Magnetic Sector Mass Spectrometry

    SciTech Connect (OSTI)

    Nathan Joe Saetveit

    2008-08-18

    Particle size effects and elemental fractionation in laser ablation inductively coupled plasma mass spectrometry (LA-ICP-MS) are investigated with nanosecond and femtosecond laser ablation, differential mobility analysis, and magnetic sector ICP-MS. Laser pulse width was found to have a significant influence on the LA particle size distribution and the elemental composition of the aerosol and thus fractionation. Emission from individual particles from solution nebulization, glass, and a pressed powder pellet are observed with high speed digital photography. The presence of intact particles in an ICP is shown to be a likely source of fractionation. A technique for the online detection of stimulated elemental release from neural tissue using magnetic sector ICP-MS is described. Detection limits of 1 {micro}g L{sup -1} or better were found for P, Mn, Fe, Cu, and Zn in a 60 {micro}L injection in a physiological saline matrix.

  13. Membrane-Based Emitter for Coupling Microfluidics with Ultrasensitive Nanoelectrospray Ionization-Mass Spectrometry

    SciTech Connect (OSTI)

    Sun, Xuefei; Kelly, Ryan T.; Tang, Keqi; Smith, Richard D.

    2011-06-09

    An integrated poly(dimethylsiloxane) (PDMS) membrane-based microfluidic emitter for high performance nanoelectrospray ionization-mass spectrometry (nanoESI-MS) has been fabricated and evaluated. The ~100-?m-thick emitter was created by cutting a PDMS membrane that protrudes beyond the bulk substrate. The reduced surface area at the emitter enhances the electric field and reduces wetting of the surface by the electrospray solvent. As such, the emitter provides highly stable electrospray at flow rates as low as 10 nL/min, and is compatible with electrospray solvents containing a large organic component (e.g., 90% methanol). This approach enables facile emitter construction, and provides excellent stability, reproducibility and sensitivity, as well as compatibility with multilayer soft lithography.

  14. Shotgun Approach for Quantitative Imaging of Phospholipids Using Nanospray Desorption Electrospray Ionization Mass Spectrometry

    SciTech Connect (OSTI)

    Lanekoff, Ingela T.; Thomas, Mathew; Laskin, Julia

    2014-02-04

    Mass spectrometry imaging (MSI) has been extensively used for determining spatial distributions of molecules in biological samples, and there is increasing interest in using MSI for quantification. Nanospray desorption electrospray ionization, or nano-DESI, is an ambient MSI technique where a solvent is used for localized extraction of molecules followed by nanoelectrospray ionization. Doping the nano-DESI solvent with carefully selected standards enables online quantification during MSI experiments. In this proof-of-principle study, we demonstrate this quantification approach can be extended to provide shotgun-like quantification of phospholipids in thin brain tissue sections. Specifically, two phosphatidylcholine (PC) standards were added to the nano-DESI solvent for simultaneous imaging and quantification of 22 PC species observed in nano-DESI MSI. Furthermore, by combining the quantitative data obtained in the individual pixels, we demonstrate quantification of these PC species in seven different regions of a rat brain tissue section.

  15. Detonation reaction steps frozen by free expansion and analyzed by mass spectrometry

    SciTech Connect (OSTI)

    Greiner, N.R.; Fry, H.A.; Blais, N.C.; Engelke, R.P.

    1993-05-01

    Detonation reactions in small pellets of explosive are frozen by free expansion into a large vacuum chamber and analyzed by time-of-flight mass spectrometry. Sensitive explosives like PETN, RDX, and HMX show rapidly evolving reaction zones and mostly simple products like H{sub 2}O, CO, N{sub 2}, and CO{sub 2}. Less sensitive explosives like TATB, HNS, and TNT show slower evolution of the reaction zone, and more complex products in addition to the simple ones seen in PETN. Isotopic substitution shows that the more complex products contain moderate amounts of NH{sub 3}, HCN, NO, HNCO, and NO{sub 2}. Other observations include polymerization of aromatic explosive molecules, adducts to the explosive molecules, and explosive molecules with functional groups missing. The more complex products are reservoirs of unreleased energy that may affect performance.

  16. Detonation reaction steps frozen by free expansion and analyzed by mass spectrometry

    SciTech Connect (OSTI)

    Greiner, N.R.; Fry, H.A.; Blais, N.C.; Engelke, R.P.

    1993-01-01

    Detonation reactions in small pellets of explosive are frozen by free expansion into a large vacuum chamber and analyzed by time-of-flight mass spectrometry. Sensitive explosives like PETN, RDX, and HMX show rapidly evolving reaction zones and mostly simple products like H[sub 2]O, CO, N[sub 2], and CO[sub 2]. Less sensitive explosives like TATB, HNS, and TNT show slower evolution of the reaction zone, and more complex products in addition to the simple ones seen in PETN. Isotopic substitution shows that the more complex products contain moderate amounts of NH[sub 3], HCN, NO, HNCO, and NO[sub 2]. Other observations include polymerization of aromatic explosive molecules, adducts to the explosive molecules, and explosive molecules with functional groups missing. The more complex products are reservoirs of unreleased energy that may affect performance.

  17. Analysis of fission gas release kinetics by on-line mass spectrometry

    SciTech Connect (OSTI)

    Zerega, Y.; Reynard-Carette, C.; Parrat, D.; Carette, M.; Brkic, B.; Lyoussi, A.; Bignan, G.; Janulyte, A.; Andre, J.; Pontillon, Y.; Ducros, G.; Taylor, S.

    2011-07-01

    The release of fission gas (Xe and Kr) and helium out of nuclear fuel materials in normal operation of a nuclear power reactor can constitute a strong limitation of the fuel lifetime. Moreover, radioactive isotopes of Xe and Kr contribute significantly to the global radiological source term released in the primary coolant circuit in case of accidental situations accompanied by fuel rod loss of integrity. As a consequence, fission gas release investigation is of prime importance for the nuclear fuel cycle economy, and is the driven force of numerous R and D programs. In this domain, for solving current fuel behavior understanding issues, preparing the development of new fuels (e.g. for Gen IV power systems) and for improving the modeling prediction capability, there is a marked need for innovations in the instrumentation field, mainly for: . Quantification of very low fission gas concentrations, released from fuel sample and routed in sweeping lines. Monitoring of quick gas release variations by quantification of elementary release during a short period of time. Detection of a large range of atomic masses (e.g. H{sub 2}, HT, He, CO, CO{sub 2}, Ne, Ar, Kr, Xe), together with a performing separation of isotopes for Xe and Kr elements. Coupling measurement of stable and radioactive gas isotopes, by using in parallel mass spectrometry and gamma spectrometry techniques. To fulfill these challenging needs, a common strategy for analysis equipment implementation has been set up thanks to a recently launched collaboration between the CEA and the Univ. of Provence, with the technological support of the Liverpool Univ.. It aims at developing a chronological series of mass spectrometer devices based upon mass filter and 2D/3D ion traps with Fourier transform operating mode and having increasing levels of performances to match the previous challenges for out-of pile and in-pile experiments. The final objective is to install a high performance online mass spectrometer coupled to a gamma spectrometer in the fission product laboratory of the future Jules Horowitz Material Test Reactor. An intermediate step will consist of testing first equipment on an existing experimental facility in the LECA-STAR Hot Cell Laboratory of the CEA Cadarache. This paper presents the scientific and operational stakes linked to fission gas issues, resumes the current state of art for analyzing them in nuclear facilities, then presents the skills gathered through this collaboration to overcome technological bottlenecks. Finally it describes the implementation strategy in nuclear research facilities of the CEA Cadarache. (authors)

  18. Structural Analysis of a Highly Glycosylated and Unliganded gp120-Based Antigen Using Mass Spectrometry

    SciTech Connect (OSTI)

    L Wang; Y Qin; S Ilchenko; J Bohon; W Shi; M Cho; K Takamoto; M Chance

    2011-12-31

    Structural characterization of the HIV-1 envelope protein gp120 is very important for providing an understanding of the protein's immunogenicity and its binding to cell receptors. So far, the crystallographic structure of gp120 with an intact V3 loop (in the absence of a CD4 coreceptor or antibody) has not been determined. The third variable region (V3) of the gp120 is immunodominant and contains glycosylation signatures that are essential for coreceptor binding and entry of the virus into T-cells. In this study, we characterized the structure of the outer domain of gp120 with an intact V3 loop (gp120-OD8) purified from Drosophila S2 cells utilizing mass spectrometry-based approaches. We mapped the glycosylation sites and calculated the glycosylation occupancy of gp120-OD8; 11 sites from 15 glycosylation motifs were determined as having high-mannose or hybrid glycosylation structures. The specific glycan moieties of nine glycosylation sites from eight unique glycopeptides were determined by a combination of ECD and CID MS approaches. Hydroxyl radical-mediated protein footprinting coupled with mass spectrometry analysis was employed to provide detailed information about protein structure of gp120-OD8 by directly identifying accessible and hydroxyl radical-reactive side chain residues. Comparison of gp120-OD8 experimental footprinting data with a homology model derived from the ligated CD4-gp120-OD8 crystal structure revealed a flexible V3 loop structure in which the V3 tip may provide contacts with the rest of the protein while residues in the V3 base remain solvent accessible. In addition, the data illustrate interactions between specific sugar moieties and amino acid side chains potentially important to the gp120-OD8 structure.

  19. Nuclear-mass dependence of azimuthal beam-helicity and beam-charge asymmetries in deeply virtual Compton scattering

    E-Print Network [OSTI]

    The HERMES collaboration; A. Airapetian

    2010-01-22

    The nuclear-mass dependence of azimuthal cross section asymmetries with respect to charge and longitudinal polarization of the lepton beam is studiedfor hard exclusive electroproduction of real photons. The observed beam-charge and beam-helicity asymmetries are attributed to the interference between the Bethe-Heitler and deeply virtual Compton scattering processes. For various nuclei, the asymmetries are extracted for both coherent and incoherent-enriched regions, which involve different (combinations of) generalized parton distributions. For both regions, the asymmetries are compared to those for a free proton, and no nuclear-mass dependence is found.

  20. Laser desorption time-of-flight mass spectrometry of ultraviolet photo-processed ices

    SciTech Connect (OSTI)

    Paardekooper, D. M. Bossa, J.-B.; Isokoski, K.; Linnartz, H.

    2014-10-01

    A new ultra-high vacuum experiment is described that allows studying photo-induced chemical processes in interstellar ice analogues. MATRI²CES - a Mass Analytical Tool to study Reactions in Interstellar ICES applies a new concept by combining laser desorption and time-of-flight mass spectrometry with the ultimate goal to characterize in situ and in real time the solid state evolution of organic compounds upon UV photolysis for astronomically relevant ice mixtures and temperatures. The performance of the experimental setup is demonstrated by the kinetic analysis of the different photoproducts of pure methane (CH?) ice at 20 K. A quantitative approach provides formation yields of several new species with up to four carbon atoms. Convincing evidence is found for the formation of even larger species. Typical mass resolutions obtained range from M/?M ~320 to ~400 for CH? and argon, respectively. Additional tests show that the typical detection limit (in monolayers) is ?0.02 ML, substantially more sensitive than the regular techniques used to investigate chemical processes in interstellar ices.

  1. Laser Desorption Postionization Mass Spectrometry of Antibiotic-Treated Bacterial Biofilms using Tunable Vacuum Ultraviolet Radiation

    SciTech Connect (OSTI)

    Gasper, Gerald L.; Takahashi, Lynelle K.; Zhou, Jia; Ahmed, Musahid; Moore, Jerry F.; Hanley, Luke

    2010-08-04

    Laser desorption postionization mass spectrometry (LDPI-MS) with 8.0 ? 12.5 eV vacuum ultraviolet synchrotron radiation is used to single photon ionize antibiotics andextracellular neutrals that are laser desorbed both neat and from intact bacterial biofilms. Neat antibiotics are optimally detected using 10.5 eV LDPI-MS, but can be ionized using 8.0 eV radiation, in agreement with prior work using 7.87 eV LDPI-MS. Tunable vacuum ultraviolet radiation also postionizes laser desorbed neutrals of antibiotics and extracellular material from within intact bacterial biofilms. Different extracellular material is observed by LDPI-MS in response to rifampicin or trimethoprim antibiotic treatment. Once again, 10.5 eV LDPI-MS displays the optimum trade-off between improved sensitivity and minimum fragmentation. Higher energy photons at 12.5 eV produce significant parent ion signal, but fragment intensity and other low mass ions are also enhanced. No matrix is added to enhance desorption, which is performed at peak power densities insufficient to directly produce ions, thus allowing observation of true VUV postionization mass spectra of antibiotic treated biofilms.

  2. 3D proteomics : analysis of proteins and protein complexes by chemical cross-linking and mass spectrometry 

    E-Print Network [OSTI]

    Chen, Zhuo A.

    2011-11-24

    The concept of 3D proteomics is a technique that couples chemical cross-linking with mass spectrometry and has emerged as a tool to study protein conformations and protein-protein interactions. In this thesis I present my work on improving...

  3. International Journal of Mass Spectrometry 249250 (2006) 303310 Pyrolysis of 2-methoxy-2,3,3-trimethylbutane (MTMB) monitored by

    E-Print Network [OSTI]

    Morton, Thomas Hellman

    2006-01-01

    International Journal of Mass Spectrometry 249­250 (2006) 303­310 Pyrolysis of 2-methoxy-2 Available online 23 January 2006 In memoriam Chava Lifshitz Abstract Pyrolysis/supersonic jet expansion/118,3-bond is the weakest bond of MTMB. Pyrolysis of MTMB-d6 below 1000 K shows no production of CD3 radicals

  4. A gas chromatography/pyrolysis/isotope ratio mass spectrometry system for high-precision dD measurements

    E-Print Network [OSTI]

    Fischer, Hubertus

    A gas chromatography/pyrolysis/isotope ratio mass spectrometry system for high-precision d we present a highly automated, high-precision online gas chromatography/pyrolysis/isotope ratio from ice, preconcentration, gas chromatographic separation and pyrolysis of CH4 from roughly 500 g

  5. Spatially tracking 13C labeled substrate (bicarbonate) accumulation in microbial communities using laser ablation isotope ratio mass spectrometry

    SciTech Connect (OSTI)

    Moran, James J.; Doll, Charles G.; Bernstein, Hans C.; Renslow, Ryan S.; Cory, Alexandra B.; Hutchison, Janine R.; Lindemann, Stephen R.; Fredrickson, Jim K.

    2014-08-25

    This is a manuscript we would like to submit for publication in Environmental Microbiology Reports. This manuscript contains a description of a laser ablation isotope ratio mass spectrometry methodology developed at PNNL and applied to a microbial system at a PNNL project location – Hot Lake, Washington. I will submit a word document containing the entire manuscript with this Erica input request form.

  6. Indexing Permafrost Soil Organic Matter Degradation Using High-Resolution Mass Spectrometry

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Mann, Benjamin F.; Chen, Hongmei; Herndon, Elizabeth M.; Chu, Rosalie K.; Tolic, Nikola; Portier, Evan F.; Roy Chowdhury, Taniya; Robinson, Errol W.; Callister, Stephen J.; Wullschleger, Stan D.; et al

    2015-06-12

    Microbial degradation of soil organic matter (SOM) is a key process for terrestrial carbon cycling, although the molecular details of these transformations remain unclear. This study reports the application of ultrahigh resolution mass spectrometry to profile the molecular composition of SOM and its degradation during a simulated warming experiment. A soil sample, collected near Barrow, Alaska, USA, was subjected to a 40-day incubation under anoxic conditions and analyzed before and after the incubation to determine changes of SOM composition. A CHO index based on molecular C, H, and O data was utilized to codify SOM components according to their observedmore »degradation potentials. Compounds with a CHO index score between –1 and 0 in a water-soluble fraction (WSF) demonstrated high degradation potential, with a highest shift of CHO index occurred in the N-containing group of compounds, while similar stoichiometries in a base-soluble fraction (BSF) did not. Additionally, compared with the classical H:C vs O:C van Krevelen diagram, CHO index allowed for direct visualization of the distribution of heteroatoms such as N in the identified SOM compounds. We demonstrate that CHO index is useful not only in characterizing arctic SOM at the molecular level but also enabling quantitative description of SOM degradation, thereby facilitating incorporation of the high resolution MS datasets to future mechanistic models of SOM degradation and prediction of greenhouse gas emissions.« less

  7. Characterization of Interlayer Cs+ in Clay Samples Using Secondary Ion Mass Spectrometry with Laser Sample Modification

    SciTech Connect (OSTI)

    G. S. Groenewold; R. Avci; C. Karahan; K. Lefebre; R. V. Fox; M. M. Cortez; A. K. Gianotto; J. Sunner; W. L. Manner

    2004-04-01

    Ultraviolet laser irradiation was used to greatly enhance the secondary ion mass spectrometry (SIMS) detection of Cs+ adsorbed to soil consisting of clay and quartz. Imaging SIMS showed that the enhancement of the Cs+ signal was spatially heterogeneous: the intensity of the Cs+ peak was increased by factors up to 100 for some particles but not at all for others. Analysis of standard clay samples exposed to Cs+ showed a variable response to laser irradiation depending on the type of clay analyzed. The Cs+ abundance was significantly enhanced when Cs+-exposed montmorillonite was irradiated and then analyzed using SIMS, which contrasted with the behavior of Cs+-exposed kaolinite, which displayed no Cs+ enhancement. Exposed illitic clays displayed modest enhancement of Cs+ upon laser irradiation, intermediate between that of kaolinite and montmorillonite. The results for Cs+ were rationalized in terms of adsorption to interlayer sites within the montmorillonite, which is an expandable phyllosilicate. In these locations, Cs+ was not initially detectable using SIMS. Upon irradiation, Cs+ was thermally redistributed, which enabled detection using SIMS. Since neither the illite nor the kaolinite is an expandable clay, adsorption to inner-layer sites does not occur, and either modest or no laser enhancement of the Cs+ signal is observed. Laser irradiation also produced unexpected enhancement of Ti+ from illite and kaolinite clays that contained small quantities of Ti, which indicates the presence of microscopic titanium oxide phases in the clay materials.

  8. Measurement of Ultra-Low Potassium Contaminations with Accelerator Mass Spectrometry

    E-Print Network [OSTI]

    K. J. Dong

    2007-05-01

    Levels of trace radiopurity in active detector materials is a subject of major concern in low-background experiments. Among the radio-isotopes, $\\k40$ is one of the most abundant and yet whose signatures are difficult to reject. Procedures were devised to measure trace potassium concentrations in the inorganic salt CsI as well as in organic liquid scintillator (LS) with Accelerator Mass Spectrometry (AMS), giving, respectively, the $\\k40$-contamination levels of $\\sim 10^{-10}$ and $\\sim 10^{-13}$ g/g. Measurement flexibilities and sensitivities are improved over conventional methods. The projected limiting sensitivities if no excess of potassium signals had been observed over background are $8 \\times 10^{-13}$ g/g and $3 \\times 10^{-17}$ g/g for the CsI and LS, respectively. Studies of the LS samples indicate that the radioactive contaminations come mainly in the dye solutes, while the base solvents are orders of magnitude cleaner. The work demonstrate the possibilities of measuring naturally-occurring isotopes with the AMS techniques.

  9. Imaging Nicotine in Rat Brain Tissue by Use of Nanospray Desorption Electrospray Ionization Mass Spectrometry

    SciTech Connect (OSTI)

    Lanekoff, Ingela T.; Thomas, Mathew; Carson, James P.; Smith, Jordan N.; Timchalk, Charles; Laskin, Julia

    2013-01-15

    Imaging mass spectrometry offers simultaneous detection of drugs, drug metabolites and endogenous substances in a single experiment. This is important when evaluating effects of a drug on a complex organ system such as the brain, where there is a need to understand how regional drug distribution impacts function. Nicotine is an addictive drug and its action in the brain is of high interest. Here we use nanospray desorption electrospray ionization, nano-DESI, imaging to discover the localization of nicotine in rat brain tissue after in vivo administration of nicotine. Nano-DESI is a new ambient technique that enables spatially-resolved analysis of tissue samples without special sample pretreatment. We demonstrate high sensitivity of nano-DESI imaging that enables detection of only 0.7 fmole nicotine per pixel in the complex brain matrix. Furthermore, by adding deuterated nicotine to the solvent, we examined how matrix effects, ion suppression, and normalization affect the observed nicotine distribution. Finally, we provide preliminary results suggesting that nicotine localizes to the hippocampal substructure called dentate gyrus.

  10. In-gel Tryptic Digest for Protein ID by Mass Spectrometry David Miyamoto 2/12/2002

    E-Print Network [OSTI]

    Mitchison, Tim

    In-gel Tryptic Digest for Protein ID by Mass Spectrometry David Miyamoto 2/12/2002 This protocolL digestion buffer. Incubate 45 minutes in ice water bath. Digestion buffer consists of 12.5 ng/µL trypsin (Promega sequence-grade #12;modified porcine trypsin, Cat. #V511A) in 50 mM NH4HCO3. To make the digestion

  11. OpenMSI: A High-Performance Web-Based Platform for Mass Spectrometry Imaging

    SciTech Connect (OSTI)

    Rubel, Oliver; Greiner, Annette; Cholia, Shreyas; Louie, Katherine; Bethel, E. Wes; Northen, Trent R.; Bowen, Benjamin P.

    2013-10-02

    Mass spectrometry imaging (MSI) enables researchers to directly probe endogenous molecules directly within the architecture of the biological matrix. Unfortunately, efficient access, management, and analysis of the data generated by MSI approaches remain major challenges to this rapidly developing field. Despite the availability of numerous dedicated file formats and software packages, it is a widely held viewpoint that the biggest challenge is simply opening, sharing, and analyzing a file without loss of information. Here we present OpenMSI, a software framework and platform that addresses these challenges via an advanced, high-performance, extensible file format and Web API for remote data access (http://openmsi.nersc.gov). The OpenMSI file format supports storage of raw MSI data, metadata, and derived analyses in a single, self-describing format based on HDF5 and is supported by a large range of analysis software (e.g., Matlab and R) and programming languages (e.g., C++, Fortran, and Python). Careful optimization of the storage layout of MSI data sets using chunking, compression, and data replication accelerates common, selective data access operations while minimizing data storage requirements and are critical enablers of rapid data I/O. The OpenMSI file format has shown to provide >2000-fold improvement for image access operations, enabling spectrum and image retrieval in less than 0.3 s across the Internet even for 50 GB MSI data sets. To make remote high-performance compute resources accessible for analysis and to facilitate data sharing and collaboration, we describe an easy-to-use yet powerful Web API, enabling fast and convenient access to MSI data, metadata, and derived analysis results stored remotely to facilitate high-performance data analysis and enable implementation of Web based data sharing, visualization, and analysis.

  12. Detection of aldehydes in lung cancer cell culture by gas chromatography/mass spectrometry and solid-phase microextraction with on-fiber derivatization 

    E-Print Network [OSTI]

    Shan, Guangqing

    2007-09-17

    Aldehydes in lung cancer cell culture have been investigated using gas chromatography/mass spectrometry and solid-phase microextraction with on-fiber derivatization. In this study, the poly(dimethylsiloxane/divinylbenzene ...

  13. Development of matrix assisted laser desorption ionization-ion mobility-orthogonal time-of-flight mass spectrometry as a tool for proteomics 

    E-Print Network [OSTI]

    Ruotolo, Brandon Thomas

    2005-08-29

    Separations coupled to mass spectrometry (MS) are widely used for large-scale protein identification in order to reduce the adverse effects of analyte ion suppression, increase the dynamic range, and as a deconvolution technique for complex datasets...

  14. Development of Ion Mobility-mass Spectrometry Instrumentation to Probe the Conformations and Capture the Solution to Gas Phase Transition of Electrosprayed Biomolecules 

    E-Print Network [OSTI]

    Silveira, Joshua A

    2013-11-22

    Recent progress has been made developing ion mobility-mass spectrometry (IM-MS) instruments for biophysical studies; however, experimental techniques that can probe the structure and/or dynamics of biomolecules at intermediate extents of hydration...

  15. DETERMINATION OF 237NP AND PU ISOTOPES IN LARGE SOIL SAMPLES BY INDUCTIVELY COUPLED PLASMA MASS SPECTROMETRY

    SciTech Connect (OSTI)

    Maxwell, S.

    2010-07-26

    A new method for the determination of {sup 237}Np and Pu isotopes in large soil samples has been developed that provides enhanced uranium removal to facilitate assay by inductively coupled plasma mass spectrometry (ICP-MS). This method allows rapid preconcentration and separation of plutonium and neptunium in large soil samples for the measurement of {sup 237}Np and Pu isotopes by ICP-MS. {sup 238}U can interfere with {sup 239}Pu measurement by ICP-MS as {sup 238}UH{sup +} mass overlap and {sup 237}Np via {sup 238}U peak tailing. The method provides enhanced removal of uranium by separating Pu and Np initially on TEVA Resin, then transferring Pu to DGA resin for additional purification. The decontamination factor for removal of uranium from plutonium for this method is greater than 1 x 10{sup 6}. Alpha spectrometry can also be applied so that the shorter-lived {sup 238}Pu isotope can be measured successfully. {sup 239}Pu, {sup 242}Pu and {sup 237}Np were measured by ICP-MS, while {sup 236}Pu and {sup 238}Pu were measured by alpha spectrometry.

  16. International Journal of Mass Spectrometry 376 (2015) 3945 Contents lists available at ScienceDirect

    E-Print Network [OSTI]

    McCall, Benjamin J.

    2015-01-01

    spectrometry Ambient ionization Ball lightning a b s t r a c t Ball lightning is a naturally occurring (chemical, physical, or otherwise) as to why ball lightning behaves the way that it does. There has been considerable effort to try to both produce and measure the properties of ball lightning type discharges over

  17. Chemical Characterization of Crude Petroleum Using Nanospray Desorption Electrospray Ionization Coupled with High-Resolution Mass Spectrometry

    SciTech Connect (OSTI)

    Eckert, Peter A.; Roach, Patrick J.; Laskin, Alexander; Laskin, Julia

    2012-02-07

    Nanospray desorption electrospray ionization (nano-DESI) combined with high-resolution mass spectrometry was used for the first time for the analysis of liquid petroleum crude oil samples. The analysis was performed in both positive and negative ionization modes using three solvents one of which (acetonitrile/toluene mixture) is commonly used in petroleomics studies while two other polar solvents (acetonitrile/water and methanol/water mixtures) are generally not compatible with petroleum characterization using mass spectrometry. The results demonstrate that nano-DESI analysis efficiently ionizes petroleum constituents soluble in a particular solvent. When acetonitrile/toluene is used as a solvent, nano-DESI generates electrospray-like spectra. In contrast, strikingly different spectra were obtained using acetonitrile/water and methanol/water. Comparison with the literature data indicates that these solvents selectively extract water-soluble constituents of the crude oil. Water-soluble compounds are predominantly observed as sodium adducts in nano-DESI spectra indicating that addition of sodium to the solvent may be a viable approach for efficient ionization of water-soluble crude oil constituents. Nano-DESI enables rapid screening of different classes of compounds in crude oil samples using solvents that are rarely used for petroleum characterization.

  18. Biological Mass Spectrometry and Shotgun Proteomics of Microbial Systems: Methods for studying microbial physiology from isolates to environmental communities

    SciTech Connect (OSTI)

    Dill, Brian; Young, Jacque C; Carey, Patricia A; Verberkmoes, Nathan C

    2010-01-01

    Microbial ecology is currently experiencing a renaissance spurred by the rapid development of molecular techniques and omics technologies in particular. As never before, these tools have allowed researchers in the field to produce a massive amount of information through in situ measurements and analysis of natural microbial communities, both vital approaches to the goal of unraveling the interactions of microbes with their environment and with one another. While genomics can provide information regarding the genetic potential of microbes, proteomics characterizes the primary end-stage product, proteins, thus conveying functional information concerning microbial activity. Advances in mass spectrometry instrumentation and methodologies, along with bioinformatic approaches, have brought this analytic chemistry technique to relevance in the biological realm due to its powerful applications in proteomics. Mass spectrometry-enabled proteomics, including bottom-up and top-down approaches, is capable of supplying a wealth of biologically-relevant information, from simple protein cataloging of the proteome of a microbial community to identifying post-translational modifications of individual proteins.

  19. Characterization of direct current He-N{sub 2} mixture plasma using optical emission spectroscopy and mass spectrometry

    SciTech Connect (OSTI)

    Flores, O.; Castillo, F.; Martinez, H.; Villa, M.; Reyes, P. G.; Villalobos, S.; Facultad de Ingeniería, Universidad Nacional Autónoma de México, México D.F.

    2014-05-15

    This study analyses the glow discharge of He and N{sub 2} mixture at the pressure of 2.0?Torr, power of 10?W, and flow rate of 16.5?l/min, by using optical emission spectroscopy and mass spectrometry. The emission bands were measured in the wavelength range of 200–1100?nm. The principal species observed were N{sub 2}{sup +} (B{sup 2}?{sup +}{sub u}?X{sup 2}?{sup +}{sub g}), N{sub 2} (C{sup 3}?{sub u}?B{sup 3}?{sub g}), and He, which are in good agreement with the results of mass spectrometry. Besides, the electron temperature and ion density were determined by using a double Langmuir probe. Results indicate that the electron temperature is in the range of 1.55–2.93?eV, and the electron concentration is of the order of 10{sup 10}?cm{sup ?3}. The experimental results of electron temperature and ion density for pure N{sub 2} and pure He are in good agreement with the values reported in the literature.

  20. Validating mass spectrometry measurements of nuclear materials via a non-contact volume analysis method of ion sputter craters

    SciTech Connect (OSTI)

    Willingham, David G.; Naes, Benjamin E.; Fahey, Albert J.

    2015-01-01

    A combination of secondary ion mass spectrometry, optical profilometry and a statistically-driven algorithm was used to develop a non-contact volume analysis method to validate the useful yields of nuclear materials. The volume analysis methodology was applied to ion sputter craters created in silicon and uranium substrates sputtered by 18.5 keV O- and 6.0 keV Ar+ ions. Sputter yield measurements were determined from the volume calculations and were shown to be comparable to Monte Carlo calculations and previously reported experimental observations. Additionally, the volume calculations were used to determine the useful yields of Si+, SiO+ and SiO2+ ions from the silicon substrate and U+, UO+ and UO2+ ions from the uranium substrate under 18.5 keV O- and 6.0 keV Ar+ ion bombardment. This work represents the first steps toward validating the interlaboratory and cross-platform performance of mass spectrometry for the analysis of nuclear materials.

  1. The effect of cluster formation on mass separation in binary molecular beams

    E-Print Network [OSTI]

    Sibener, Steven

    The effect of cluster formation on mass separation in binary molecular beams Wei Li,a) M. J of Chicago, Chicago, Illinois 60637 Received 15 July 1999; accepted 17 November 1999 The downstream in these studies. Strong evidence is herein reported which implicates cluster formation in the heavier carrier gas

  2. Comprehensive quantification of triacylglycerols in soybean seeds by electrospray ionization mass spectrometry with multiple neutral loss scans

    SciTech Connect (OSTI)

    Li, Maoyin; Butka, Emily; Wang, Xuemin

    2014-10-10

    Soybean seeds are an important source of vegetable oil and biomaterials. The content of individual triacylglycerol species (TAG) in soybean seeds is difficult to quantify in an accurate and rapid way. The present study establishes an approach to quantify TAG species in soybean seeds utilizing an electrospray ionization tandem mass spectrometry with multiple neutral loss scans. Ten neutral loss scans were performed to detect the fatty acyl chains of TAG, including palmitic (P, 1650), linolenic (Ln, 1853), linoleic (L, 1852), oleic (O, 1851), stearic (S, 1850), eicosadienoic (2052), gadoleic (2051), arachidic (2050), erucic (2251), and behenic (2250). The abundance of ten fatty acyl chains at 46 TAG masses (mass-to-charge ratio, m/z) were determined after isotopic deconvolution and correction by adjustment factors at each TAG mass. The direct sample infusion and multiple internal standards correction allowed a rapid and accurate quantification of TAG species. Ninety-three TAG species were resolved and their levels were determined.The most abundant TAG species were LLL, OLL, LLLn, PLL, OLLn, OOL, POL, and SLL. Many new species were detected and quantified. As a result, this shotgun lipidomics approach should facilitate the study of TAG metabolism and genetic breeding of soybean seeds for desirable TAG content and composition.

  3. Comprehensive quantification of triacylglycerols in soybean seeds by electrospray ionization mass spectrometry with multiple neutral loss scans

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Li, Maoyin; Butka, Emily; Wang, Xuemin

    2014-10-10

    Soybean seeds are an important source of vegetable oil and biomaterials. The content of individual triacylglycerol species (TAG) in soybean seeds is difficult to quantify in an accurate and rapid way. The present study establishes an approach to quantify TAG species in soybean seeds utilizing an electrospray ionization tandem mass spectrometry with multiple neutral loss scans. Ten neutral loss scans were performed to detect the fatty acyl chains of TAG, including palmitic (P, 1650), linolenic (Ln, 1853), linoleic (L, 1852), oleic (O, 1851), stearic (S, 1850), eicosadienoic (2052), gadoleic (2051), arachidic (2050), erucic (2251), and behenic (2250). The abundance ofmore »ten fatty acyl chains at 46 TAG masses (mass-to-charge ratio, m/z) were determined after isotopic deconvolution and correction by adjustment factors at each TAG mass. The direct sample infusion and multiple internal standards correction allowed a rapid and accurate quantification of TAG species. Ninety-three TAG species were resolved and their levels were determined.The most abundant TAG species were LLL, OLL, LLLn, PLL, OLLn, OOL, POL, and SLL. Many new species were detected and quantified. As a result, this shotgun lipidomics approach should facilitate the study of TAG metabolism and genetic breeding of soybean seeds for desirable TAG content and composition.« less

  4. 62-TeV center of mass hadron collider with superbunch beams

    SciTech Connect (OSTI)

    Ryuji Yamada et al.

    2001-11-05

    The scheme of a 62-TeV center of mass p-p collider with superbunch beams at Fermilab is proposed as a practical and realistically achievable future project. It will be built in two stages, using the same tunnel, first with a 2 Tesla low field magnet collider ring and later with a 10 Tesla high field magnet collider ring. Both low and high field magnets have twin bore aperture and will be installed in the tunnel with the circumference of 87.25 km. In each bore a proton beam is accelerated, using induction cavities to increase luminosity. In the first stage they install a 7 TeV accelerator ring with operating field of 2 Tesla, based on the superferric transmission-line design. This ring will be operated at a 14-TeV center of mass collider. This will have the same energy as the LHC, but it will have 15 times higher luminosity, namely 1.5 x 10{sup 35}/cm{sup 2}/sec. The estimated synchrotron radiation is negligible with this machine. The existing Fermilab accelerator system, including the 150 GeV main injector, will be used as the injector system. Its rough cost estimation and schedule for this first stage are presented. In the second stage proton beams are accelerated, also using induction cavities up to 31 TeV with the 10 Tesla dipole magnets. The counter circulating beams will collide with the 62-TeV center of mass energy. With the superbunch beams they can expect the luminosity can be increased about 15 times more than the conventional method with RF cavities. It will be 10{sup 35}/cm{sup 2}/sec. In the second stage, the synchrotron radiation power will be about 12 W/m, and they need an elaborated beam screen.

  5. THE APPLICATION OF SINGLE PARTICLE AEROSOL MASS SPECTROMETRY FOR THE DETECTION AND IDENTIFICATION OF HIGH EXPLOSIVES AND CHEMICAL WARFARE AGENTS

    SciTech Connect (OSTI)

    Martin, A

    2006-10-23

    Single Particle Aerosol Mass Spectrometry (SPAMS) was evaluated as a real-time detection technique for single particles of high explosives. Dual-polarity time-of-flight mass spectra were obtained for samples of 2,4,6-trinitrotoluene (TNT), 1,3,5-trinitro-1,3,5-triazinane (RDX), and pentaerythritol tetranitrate (PETN); peaks indicative of each compound were identified. Composite explosives, Comp B, Semtex 1A, and Semtex 1H were also analyzed, and peaks due to the explosive components of each sample were present in each spectrum. Mass spectral variability with laser fluence is discussed. The ability of the SPAMS system to identify explosive components in a single complex explosive particle ({approx}1 pg) without the need for consumables is demonstrated. SPAMS was also applied to the detection of Chemical Warfare Agent (CWA) simulants in the liquid and vapor phases. Liquid simulants for sarin, cyclosarin, tabun, and VX were analyzed; peaks indicative of each simulant were identified. Vapor phase CWA simulants were adsorbed onto alumina, silica, Zeolite, activated carbon, and metal powders which were directly analyzed using SPAMS. The use of metal powders as adsorbent materials was especially useful in the analysis of triethyl phosphate (TEP), a VX stimulant, which was undetectable using SPAMS in the liquid phase. The capability of SPAMS to detect high explosives and CWA simulants using one set of operational conditions is established.

  6. Probing Intra-versus Interchain Kinetic Preferences of L-Thr Acylation on Dimeric VibF with Mass Spectrometry

    E-Print Network [OSTI]

    Spectrometry Leslie M. Hicks,* Carl J. Balibar,y Christopher T. Walsh,y Neil L. Kelleher,* and Nathan J

  7. Qualitative and quantitative analysis of proteolytically digested glycoproteins by mass spectrometry

    E-Print Network [OSTI]

    Rebecchi, Kathryn

    2011-05-31

    of glycoproteins, and it is particularly useful in the detection of glycosylation present on proteins. Most glycoproteins are prepared for mass spectrometric analysis by performing a protease digestion, followed by either a separation by HPLC or some other...

  8. A study of the tropospheric oxidation of volatile organic compounds using chemical ionization mass spectrometry

    E-Print Network [OSTI]

    Broekhuizen, Keith Edward, 1974-

    2002-01-01

    The mechanisms and kinetics of reactions important to the troposphere have been investigated using a high pressure, turbulent, discharge-flow technique coupled to a chemical ionization mass spectrometer. The ability to ...

  9. Organic aerosol components observed in Northern Hemispheric datasets from Aerosol Mass Spectrometry

    E-Print Network [OSTI]

    Kroll, Jesse

    In this study we compile and present results from the factor analysis of 43 Aerosol Mass Spectrometer (AMS) datasets (27 of the datasets are reanalyzed in this work). The components from all sites, when taken together, ...

  10. Determination of particulate lead using aerosol mass spectrometry: MILAGRO/MCMA-2006 observations

    E-Print Network [OSTI]

    Salcedo, D.

    We report the first measurements of particulate lead (Pb) from Aerodyne Aerosol Mass Spectrometers, which were deployed in and around Mexico City during the Megacity Initiative: Local and Global Research Observations ...

  11. Stir bar sorptive extraction coupled to liquid chromatography-tandem mass spectrometry for the2 determination of pesticides in water samples: method validation and measurement uncertainty3

    E-Print Network [OSTI]

    Paris-Sud XI, Université de

    carry-over between consecutive extractions with the same stir21 bar. Pesticide quantification in water1 Title :1 Stir bar sorptive extraction coupled to liquid chromatography-tandem mass spectrometry for the2 determination of pesticides in water samples: method validation and measurement uncertainty3

  12. In-situ Sensing Using Mass Spectrometry and its Use for Run-To-Run Control on a W-CVD Cluster Tool

    E-Print Network [OSTI]

    Rubloff, Gary W.

    In-situ Sensing Using Mass Spectrometry and its Use for Run-To-Run Control on a W-CVD Cluster Tool , and E. Zafiriou2 1 Institute for Systems Research and Department of Materials and Nuclear Engineering 2 gases directly from the reactor of an ULVAC ERA-1000 cluster tool has been used for real time process

  13. Interface for the rapid analysis of liquid samples by accelerator mass spectrometry

    DOE Patents [OSTI]

    Turteltaub, Kenneth; Ognibene, Ted; Thomas, Avi; Daley, Paul F; Salazar Quintero, Gary A; Bench, Graham

    2014-02-04

    An interface for the analysis of liquid sample having carbon content by an accelerator mass spectrometer including a wire, defects on the wire, a system for moving the wire, a droplet maker for producing droplets of the liquid sample and placing the droplets of the liquid sample on the wire in the defects, a system that converts the carbon content of the droplets of the liquid sample to carbon dioxide gas in a helium stream, and a gas-accepting ion source connected to the accelerator mass spectrometer that receives the carbon dioxide gas of the sample in a helium stream and introduces the carbon dioxide gas of the sample into the accelerator mass spectrometer.

  14. Aerosol Mass Spectrometry via Laser-Induced Incandescence Particle Vaporization Final Report

    SciTech Connect (OSTI)

    Timothy B. Onasch

    2011-10-20

    We have successfully developed and commercialized a soot particle aerosol mass spectrometer (SP-AMS) instrument to measure mass, size, and chemical information of soot particles in ambient environments. The SP-AMS instrument has been calibrated and extensively tested in the laboratory and during initial field studies. The first instrument paper describing the SP-AMS has been submitted for publication in a peer reviewed journal and there are several related papers covering initial field studies and laboratory studies that are in preparation. We have currently sold 5 SP-AMS instruments (either as complete systems or as SP modules to existing AMS instrument operators).

  15. Toward Single-Cell Analysis by Plume Collimation in Laser Ablation Electrospray Ionization Mass Spectrometry

    E-Print Network [OSTI]

    Vertes, Akos

    is used to deliver laser energy to a sample in laser ablation electrospray ionization (LAESI) mass with the electrospray plume resulting in increased ionization efficiency, reduced limit of detection (by a factor of 13-cell level.4 New cell isolation methods, such as laser capture microdissection, are being developed

  16. Investigation on Gas-phase Structures of Biomolecules Using Ion Mobility-mass Spectrometry 

    E-Print Network [OSTI]

    Tao, Lei

    2011-08-08

    IM-MS is a 2-D technique which provides separations based on ion shape (ion-neutral collision cross-section, ?) and mass (m/z ratio). Ion structures can be deduced from the measured collision cross-section (?meas) by calculating the collision cross...

  17. Laser vaporization/ionization interface for coupling microscale separation techniques with mass spectrometry

    DOE Patents [OSTI]

    Yeung, E.S.; Chang, Y.C.

    1999-06-29

    The present invention provides a laser-induced vaporization and ionization interface for directly coupling microscale separation processes to a mass spectrometer. Vaporization and ionization of the separated analytes are facilitated by the addition of a light-absorbing component to the separation buffer or solvent. 8 figs.

  18. Principal ComponentAnalysisof Optical EmissionSpectroscopy and MassSpectrometry:Applicationto Reactive Ion Etch

    E-Print Network [OSTI]

    Shadmehr, Reza

    , Yorktown Heights, New York 10598 ABSTRACT We report on a simple technique that characterizes the effect of CHFJO2 plasma. This technique is sensitive to changes in chamber contamination levels (e.g., formation of each sensor. Projection of the mass spectrum on its principal components suggests a strong linear

  19. Real-time monitoring of volatile organic compounds using chemical ionization mass spectrometry

    DOE Patents [OSTI]

    Mowry, Curtis Dale (Albuquerque, NM); Thornberg, Steven Michael (Peralta, NM)

    1999-01-01

    A system for on-line quantitative monitoring of volatile organic compounds (VOCs) includes pressure reduction means for carrying a gaseous sample from a first location to a measuring input location maintained at a low pressure, the system utilizing active feedback to keep both the vapor flow and pressure to a chemical ionization mode mass spectrometer constant. A multiple input manifold for VOC and gas distribution permits a combination of calibration gases or samples to be applied to the spectrometer.

  20. Characterising an Extractive Electrospray Ionisation (EESI) source for the online mass spectrometry analysis of organic aerosols

    E-Print Network [OSTI]

    Gallimore, Peter J.; Kalberer, Markus

    2013-05-28

    is dependent only on the mass of 23   aerosol and is independent of particle size. This again points to a mechanism where particles are fully 24   dissolved in the spray regardless of size. Large particles leave no undissolved “core”. Presumably 25   11... aerosol samples collected 8   onto filters or impactors.13 The disadvantage of offline techniques is that after an extended sample 9   collection period (typically hours) where the aerosol chemical composition may change due to 10   evaporation...

  1. Mass spectrometry-based methods for detection and differentiation of botulinum neurotoxins

    DOE Patents [OSTI]

    Schmidt, Jurgen G. (Los Alamos, NM); Boyer, Anne E. (Atlanta, GA); Kalb, Suzanne R. (Atlanta, GA); Moura, Hercules (Tucker, GA); Barr, John R. (Suwannee, GA); Woolfitt, Adrian R. (Atlanta, GA)

    2009-11-03

    The present invention is directed to a method for detecting the presence of clostridial neurotoxins in a sample by mixing a sample with a peptide that can serve as a substrate for proteolytic activity of a clostridial neurotoxin; and measuring for proteolytic activity of a clostridial neurotoxin by a mass spectroscopy technique. In one embodiment, the peptide can have an affinity tag attached at two or more sites.

  2. Characterization of Plasma Membrane Proteins from Ovarian Cancer Cells Using Mass Spectrometry

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Springer, David L.; Auberry, Deanna L.; Ahram, Mamoun; Adkins, Joshua N.; Feldhaus, Jane M.; Wahl, Jon H.; Wunschel, David S.; Rodland, Karin D.

    2004-01-01

    To determine how the repertoire of plasma membrane proteins change with disease state, specifically related to cancer, several methods for preparation of plasma membrane proteins were evaluated. Cultured cells derived from stage IV ovarian tumors were grown to 90% confluence and harvested in buffer containing CHAPS detergent. This preparation was centrifuged at low speed to remove insoluble cellular debris resulting in a crude homogenate. Glycosylated proteins in the crude homogenate were selectively enriched using lectin affinity chromatography. The crude homogenate and the lectin purified sample were prepared for mass spectrometric evaluation. The general procedure for protein identification began with trypsinmore »digestion of protein fractions followed by separation by reversed phase liquid chromatography that was coupled directly to a conventional tandem mass spectrometer (i.e. LCQ ion trap). Mass and fragmentation data for the peptides were searched against a human proteome data base using the informatics program SEQUEST. Using this procedure 398 proteins were identified with high confidence, including receptors, membrane-associated ligands, proteases, phosphatases, as well as structural and adhesion proteins. Results indicate that lectin chromatography provides a select subset of proteins and that the number and quality of the identifications improve as does the confidence of the protein identifications for this subset. These results represent the first step in development of methods to separate and successfully identify plasma membrane proteins from advanced ovarian cancer cells. Further characterization of plasma membrane proteins will contribute to our understanding of the mechanisms underlying progression of this deadly disease and may lead to new targeted interventions as well as new biomarkers for diagnosis.« less

  3. Characterization of Plasma Membrane Proteins from Ovarian Cancer Cells Using Mass Spectrometry

    SciTech Connect (OSTI)

    Springer, David L.; Auberry, Deanna L.; Ahram, Mamoun; Adkins, Joshua N.; Feldhaus, Jane M.; Wahl, Jon H.; Wunsch, David M.; Rodland, Karin D.

    2003-01-01

    To determine how the repertoire of plasma membrane proteins change with disease state, specifically related to cancer, several methods for preparation of plasma membrane proteins were evaluated. Cultured cells derived from stage IV ovarian tumors were grown to 90% confluence and harvested in buffer containing CHAPS detergent. This preparation was centrifuged at low speed to remove insoluble cellular debris resulting in a crude homogenate. Glycosylated proteins in the crude homogenate were selectively enriched using lectin affinity chromatography. The crude homogenate and the lectin purified sample were prepared for mass spectrometric evaluation. The general procedure for protein identification began with trypsin digestion of protein fractions followed by separation by reversed phase liquid chromatography that was coupled directly to a conventional tandem mass spectrometer (i.e. LCQ ion trap). Mass and fragmentation data for the peptides were searched against a human proteome data base using the informatics program SEQUEST. Using this procedure 398 proteins were identified with high confidence, including receptors, membrane-associated ligands, proteases, phosphatases, as well as structural and adhesion proteins. Results indicate that lectin chromatography provides a select subset of proteins and that the number and quality of the identifications improve as does the confidence of the protein identifications for this subset. These results represent the first step in development of methods to separate and successfully identify plasma membrane proteins from advanced ovarian cancer cells. Further characterization of plasma membrane proteins will contribute to our understanding of the mechanisms underlying progression of this deadly disease and may lead to new targeted interventions as well as new biomarkers for diagnosis.

  4. Accelerator Mass Spectrometry | U.S. DOE Office of Science (SC)

    Office of Science (SC) Website

    AFDC Printable Version Share this resource Send a link to EERE: Alternative Fuels Data Center Home Page to someone by E-mail Share EERE: Alternative Fuels Data Center Home Page on Facebook Tweet about EERE: Alternative Fuels Data Center Home Page on Twitter Bookmark EERE: Alternative Fuels Data Center Homesum_a_epg0_fpd_mmcf_m.xls" ,"Available from WebQuantityBonneville Power AdministrationRobust,Field-effectWorkingLosThe 26thIWalter H.4Office ofViable2 LaboratoryAccelerator Mass

  5. Kinetics of laser-pulse vaporization of uranium carbide by mass spectrometry. [LMFBR

    SciTech Connect (OSTI)

    Tehranian, F.

    1983-06-01

    The kinetics of uranium carbide vaporization in the temperature range 3000 K to 5200 K was studied using a Nd-glass laser with peak power densities from 1.6 x 10/sup 5/ to 4.0 x 10/sup 5/ watts/cm/sup 2/. The vapor species U, UC/sub 2/, C/sub 1/ and C/sub 3/ were detected and analyzed by a quadrupole mass spectrometer. From the mass spectrometer signals number densities of the various species in the ionizer were obtained as functions of time. The surface of the irradiated uranium carbide was examined by scanning electron microscope and the depth profile of the crater was obtained. In order to aid analysis of the data, the heat conduction and species diffusion equations for the solid (or liquid) were solved numerically by a computer code to obtain the temperature and composition transients during laser heating. A sensitivity analysis was used to study the effect of uncertainties in the input parameters on the computed surface temperatures.

  6. Extending the Capabilities of Single Particle Mass Spectrometry: II. Measurements of Aerosol Particle Density without DMA

    SciTech Connect (OSTI)

    Vaden, Timothy D.; Imre, D.; Beranek, Josef; Zelenyuk, Alla

    2011-01-04

    Particle density is an important and useful property that is difficult to measure because it usually 5 requires separate instruments to measure two particle attributes. As density measurements are 6 often performed on size-classified particles, they are hampered by low particle numbers, and 7 hence poor temporal resolution. We present here a new method for measuring particle densities 8 using our single particle mass spectrometer, SPLAT. This method takes advantage of the fact 9 that the detection efficiency in our single particle mass spectrometer drops off very rapidly as the 10 particle size decreases below ~125 nm creating a distinct sharp feature on the small particle side 11 of the vacuum aerodynamic size distribution. Thus, the two quantities needed to determine 12 particle density, the particle diameter and vacuum aerodynamic diameter, are known. We first 13 test this method on particles of known composition and find that the densities it yields are 14 sufficiently accurate. We then apply the method to obtain the densities of particles that were 15 characterized during an airborne field campaign. In addition, we show that the distinctive 16 features of the vacuum aerodynamic size distribution can be used to characterize the instrument 17 detection efficiency as a function of particle size. In general, the method presented here reduces 18 complexity and yields information with high temporal resolution while the instrument is 19 collecting routine data on particle size and composition.

  7. Laser-ablation sampling for inductively coupled plasma distance-of-flight mass spectrometry

    SciTech Connect (OSTI)

    Gundlach-Graham, Alexander W.; Dennis, Elise; Ray, Steven J.; Enke, Christie G.; Barinaga, Charles J.; Koppenaal, David W.; Hieftje, Gary M.

    2015-01-01

    An inductively coupled plasma distance-of-flight mass spectrometer (ICP-DOFMS) has been coupled with laser-ablation (LA) sample introduction for the elemental analysis of solids. ICP-DOFMS is well suited for the analysis of laser-generated aerosols because it offers both high-speed mass analysis and simultaneous multi-elemental detection. Here, we evaluate the analytical performance of the LA-ICP-DOFMS instrument, equipped with a microchannel plate-based imaging detector, for the measurement of steady-state LA signals, as well as transient signals produced from single LA events. Steady-state detection limits are 1 mg g1, and absolute single-pulse LA detection limits are 200 fg for uranium; the system is shown capable of performing time-resolved single-pulse LA analysis. By leveraging the benefits of simultaneous multi-elemental detection, we also attain a good shot-to-shot reproducibility of 6% relative standard deviation (RSD) and isotope-ratio precision of 0.3% RSD with a 10 s integration time.

  8. Determination of total chlorine and bromine in solid wastes by sintering and inductively coupled plasma-sector field mass spectrometry

    SciTech Connect (OSTI)

    Osterlund, Helene Rodushkin, Ilia; Ylinenjaervi, Karin; Baxter, Douglas C.

    2009-04-15

    A sample preparation method based on sintering, followed by analysis by inductively coupled plasma-sector field mass spectrometry (ICP-SFMS) for the simultaneous determination of chloride and bromide in diverse and mixed solid wastes, has been evaluated. Samples and reference materials of known composition were mixed with a sintering agent containing Na{sub 2}CO{sub 3} and ZnO and placed in an oven at 560 deg. C for 1 h. After cooling, the residues were leached with water prior to a cation-exchange assisted clean-up. Alternatively, a simple microwave-assisted digestion using only nitric acid was applied for comparison. Thereafter the samples were prepared for quantitative analysis by ICP-SFMS. The sintering method was evaluated by analysis of certified reference materials (CRMs) and by comparison with US EPA Method 5050 and ion chromatography with good agreement. Median RSDs for the sintering method were determined to 10% for both chlorine and bromine, and median recovery to 96% and 97%, respectively. Limits of detection (LODs) were 200 mg/kg for chlorine and 20 mg/kg for bromine. It was concluded that the sintering method is suitable for chlorine and bromine determination in several matrices like sewage sludge, plastics, and edible waste, as well as for waste mixtures. The sintering method was also applied for determination of other elements present in anionic forms, such as sulfur, arsenic, selenium and iodine.

  9. Production of highly-enriched 134Ba for a reference material for isotope dilution mass spectrometry measurements

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Horkley, J. J.; Carney, K. P.; Gantz, E. M.; Davies, J. E.; Lewis, R. R.; Crow, J. P.; Poole, C. A.; Grimes, T. S.; Giglio, J. J.

    2015-03-17

    Isotope dilution mass spectrometry (IDMS) is an analytical technique capable of providing accurate and precise quantitation of trace isotope abundance and assay providing measurement uncertainties below 1 %. To achieve these low uncertainties, the IDMS method ideally utilizes chemically pure “spike” solutions that consist of a single highly enriched isotope that is well-characterized relating to the abundance of companion isotopes and concentration in solution. To address a current demand for accurate 137Cs/137Ba ratio measurements for “age” determination of radioactive 137Cs sources, Idaho National Laboratory (INL) is producing enriched 134Ba isotopes that are tobe used for IDMS spikes to accurately determinemore »137Ba accumulation from the decay of 137Cs. The final objective of this work it to provide a homogenous set of reference materials that the National Institute of Standards and Technology can certify as standard reference materials used for IDMS. The process that was developed at INL for the separation and isolation of Ba isotopes, chemical purification of the isotopes in solution, and the encapsulation of the materials will be described.« less

  10. Quantifying Uranium Isotope Ratios Using Resonance Ionization Mass Spectrometry: The Influence of Laser Parameters on Relative Ionization Probability

    SciTech Connect (OSTI)

    Isselhardt, B H

    2011-09-06

    Resonance Ionization Mass Spectrometry (RIMS) has been developed as a method to measure relative uranium isotope abundances. In this approach, RIMS is used as an element-selective ionization process to provide a distinction between uranium atoms and potential isobars without the aid of chemical purification and separation. We explore the laser parameters critical to the ionization process and their effects on the measured isotope ratio. Specifically, the use of broad bandwidth lasers with automated feedback control of wavelength was applied to the measurement of {sup 235}U/{sup 238}U ratios to decrease laser-induced isotopic fractionation. By broadening the bandwidth of the first laser in a 3-color, 3-photon ionization process from a bandwidth of 1.8 GHz to about 10 GHz, the variation in sequential relative isotope abundance measurements decreased from >10% to less than 0.5%. This procedure was demonstrated for the direct interrogation of uranium oxide targets with essentially no sample preparation. A rate equation model for predicting the relative ionization probability has been developed to study the effect of variation in laser parameters on the measured isotope ratio. This work demonstrates that RIMS can be used for the robust measurement of uranium isotope ratios.

  11. Production of highly-enriched 134Ba for a reference material for isotope dilution mass spectrometry measurements

    SciTech Connect (OSTI)

    J.J. Horkley; K.P E.M. Gantz; J.E. Davis; R.R. Lewis; J.P. Crow; C.A. Poole; T.S. Grimes; J.J. Giglio

    2015-03-01

    t Isotope dilution mass spectrometry (IDMS) is an analytical technique capable of providing accurate and precise quantitation of trace isotope abundance and assay providing measurement uncertainties below 1 %. To achieve these low uncertainties, the IDMS method ideally utilizes chemically pure ‘‘spike’’ solutions that consist of a single highly enriched isotope that is well-characterized relating to the abundance of companion isotopes and concentration in solution. To address a current demand for accurate 137Cs/137Ba ratio measurements for ‘‘age’’ determination of radioactive 137Cs sources, Idaho National Laboratory (INL) is producing enriched 134Ba isotopes that are tobe used for IDMS spikes to accurately determine 137Ba accumulation from the decay of 137Cs. The final objective of this work it to provide a homogenous set of reference materials that the National Institute of Standards and Technology can certify as standard reference materials used for IDMS. The process that was developed at INL for the separation and isolation of Ba isotopes, chemical purification of the isotopes in solution,

  12. Production of highly-enriched 134Ba for a reference material for isotope dilution mass spectrometry measurements

    SciTech Connect (OSTI)

    Horkley, J. J.; Carney, K. P.; Gantz, E. M.; Davies, J. E.; Lewis, R. R.; Crow, J. P.; Poole, C. A.; Grimes, T. S.; Giglio, J. J.

    2015-03-17

    Isotope dilution mass spectrometry (IDMS) is an analytical technique capable of providing accurate and precise quantitation of trace isotope abundance and assay providing measurement uncertainties below 1 %. To achieve these low uncertainties, the IDMS method ideally utilizes chemically pure “spike” solutions that consist of a single highly enriched isotope that is well-characterized relating to the abundance of companion isotopes and concentration in solution. To address a current demand for accurate 137Cs/137Ba ratio measurements for “age” determination of radioactive 137Cs sources, Idaho National Laboratory (INL) is producing enriched 134Ba isotopes that are tobe used for IDMS spikes to accurately determine 137Ba accumulation from the decay of 137Cs. The final objective of this work it to provide a homogenous set of reference materials that the National Institute of Standards and Technology can certify as standard reference materials used for IDMS. The process that was developed at INL for the separation and isolation of Ba isotopes, chemical purification of the isotopes in solution, and the encapsulation of the materials will be described.

  13. Standard test method for determination of impurities in nuclear grade uranium compounds by inductively coupled plasma mass spectrometry

    E-Print Network [OSTI]

    American Society for Testing and Materials. Philadelphia

    2010-01-01

    1.1 This test method covers the determination of 67 elements in uranium dioxide samples and nuclear grade uranium compounds and solutions without matrix separation by inductively coupled plasma mass spectrometry (ICP-MS). The elements are listed in Table 1. These elements can also be determined in uranyl nitrate hexahydrate (UNH), uranium hexafluoride (UF6), triuranium octoxide (U3O8) and uranium trioxide (UO3) if these compounds are treated and converted to the same uranium concentration solution. 1.2 The elements boron, sodium, silicon, phosphorus, potassium, calcium and iron can be determined using different techniques. The analyst's instrumentation will determine which procedure is chosen for the analysis. 1.3 The test method for technetium-99 is given in Annex A1. 1.4 The values stated in SI units are to be regarded as standard. 1.5 This standard does not purport to address all of the safety concerns, if any, associated with its use. It is the responsibility of the user of this standard to establish ...

  14. A Rational Approach for Discovering and Validating Cancer Markers in Very Small Samples Using Mass Spectrometry and ELISA Microarrays

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Zangar, Richard C.; Varnum, Susan M.; Covington, Chandice Y.; Smith, Richard D.

    2004-01-01

    Identifying useful markers of cancer can be problematic due to limited amounts of sample. Some samples such as nipple aspirate fluid (NAF) or early-stage tumors are inherently small. Other samples such as serum are collected in larger volumes but archives of these samples are very valuable and only small amounts of each sample may be available for a single study. Also, given the diverse nature of cancer and the inherent variability in individual protein levels, it seems likely that the best approach to screen for cancer will be to determine the profile of a battery of proteins. As a result,more »a major challenge in identifying protein markers of disease is the ability to screen many proteins using very small amounts of sample. In this review, we outline some technological advances in proteomics that greatly advance this capability. Specifically, we propose a strategy for identifying markers of breast cancer in NAF that utilizes mass spectrometry (MS) to simultaneously screen hundreds or thousands of proteins in each sample. The best potential markers identified by the MS analysis can then be extensively characterized using an ELISA microarray assay. Because the microarray analysis is quantitative and large numbers of samples can be efficiently analyzed, this approach offers the ability to rapidly assess a battery of selected proteins in a manner that is directly relevant to traditional clinical assays.« less

  15. Recommendations for mass spectrometry data quality metrics for open access data(corollary to the Amsterdam principles)

    SciTech Connect (OSTI)

    Kingsinger, Christopher R.; Apffel, James; Baker, Mark S.; Bian, Xiaopeng; Borchers, Christoph H.; Bradshaw, Ralph A.; Brusniak, Mi-Youn; Chan, Daniel W.; Deutsch, Eric W.; Domon, Bruno; Gorman, Jeff; Grimm, Rudolf; Hancock, William S.; Hermjakob, Henning; Horn, David; Hunter, Christie; Kolar, Patrik; Kraus, Hans-Joachim; Langen, Hanno; Linding, Rune; Moritz, Robert L.; Omenn, Gilbert S.; Orlando, Ron; Pandey, Akhilesh; Ping, Peipei; Rahbar, Amir; Rivers, Robert; Seymour, Sean L.; Simpson, Richard J.; Slotta, Douglas; Smith, Richard D.; Stein, Stephen E.; Tabb, David L.; Tagle, Danilo; Yates, John R.; Rodriguez, Henry

    2011-12-01

    Policies supporting the rapid and open sharing of proteomic data are being implemented by the leading journals in the field. The proteomics community is taking steps to ensure that data are made publicly accessible and are of high quality, a challenging task that requires the development and deployment of methods for measuring and documenting data quality metrics. On September 18, 2010, the U.S. National Cancer Institute (NCI) convened the 'International Workshop on Proteomic Data Quality Metrics' in Sydney, Australia, to identify and address issues facing the development and use of such methods for open access proteomics data. The stakeholders at the workshop enumerated the key principles underlying a framework for data quality assessment in mass spectrometry data that will meet the needs of the search community, journals, funding agencies, and data repositories. Attendees discussed and agreed upon two primary needs for the wide use of quality metrics: (i)an evolving list of comprehensive quality metrics and (ii)standards accompanied by software analytics. Attendees stressed the importance of increased education and training programs to promote reliable protocols in proteomics. This workshop report explores the historic precedents, key discussions, and necessary next steps to enhance the quality of open access data. By agreement, this article is published simultaneously in Proteomics, Proteomics Clinical Applications, Journal of Proteome Research, and Molecular and Cellular Proteomics, as a public service to the research community.The peer review process was a coordinated effort conducted by a panel of referees selected by the journals.

  16. Detection of high molecular weight organic tracers in vegetation smoke samples by high-temperature gas chromatography-mass spectrometry

    SciTech Connect (OSTI)

    Elias, V.O.; Simoneit, B.R.T. ); Pereira, A.S.; Cardoso, J.N. ); Cabral, J.A. )

    1999-07-15

    High-temperature high-resolution gas chromatography (HTGC) is an established technique for the separation of complex mixtures of high molecular weight (HMW) compounds which do not elute when analyzed on conventional GC columns. The combination of this technique with mass spectrometry is not so common and application to aerosols is novel. The HTGC and HTGC-MS analyses of smoke samples taken by particle filtration from combustion of different species of plants provided the characterization of various classes of HMW compounds reported to occur for the first time in emissions from biomass burning. Among these components are a series of wax esters with up to 58 carbon numbers, aliphatic hydrocarbons, triglycerides, long chain methyl ketones, alkanols and a series of triterpenyl fatty acid esters which have been characterized as novel natural products. Long chain fatty acids with more than 32 carbon numbers are not present in the smoke samples analyzed. The HMW compounds in smoke samples from the burning of plants from Amazonia indicate the input of directly volatilized natural products in the original plants during their combustion. However, the major organic compounds extracted from smoke consist of a series of lower molecular weight polar components, which are not natural products but the result of the thermal breakdown of cellulose and lignin. In contrast, the HMW natural products may be suitable tracers for specific sources of vegetation combustion because they are emitted as particles without thermal alternation in the smoke and can thus be related directly to the original plant material.

  17. Elemental ratio measurements of organic compounds using aerosol mass spectrometry: characterization, improved calibration, and implications

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Canagaratna, M. R.; Jimenez, J. L.; Kroll, J. H.; Chen, Q.; Kessler, S. H.; Massoli, P.; Hildebrandt Ruiz, L.; Fortner, E.; Williams, L. R.; Wilson, K. R.; et al

    2015-01-12

    Elemental compositions of organic aerosol (OA) particles provide useful constraints on OA sources, chemical evolution, and effects. The Aerodyne high-resolution time-of-flight aerosol mass spectrometer (HR-ToF-AMS) is widely used to measure OA elemental composition. This study evaluates AMS measurements of atomic oxygen-to-carbon (O : C), hydrogen-to-carbon (H : C), and organic mass-to-organic carbon (OM : OC) ratios, and of carbon oxidation state (OS C) for a vastly expanded laboratory data set of multifunctional oxidized OA standards. For the expanded standard data set, the method introduced by Aiken et al. (2008), which uses experimentally measured ionmore »intensities at all ions to determine elemental ratios (referred to here as "Aiken-Explicit"), reproduces known O : C and H : C ratio values within 20% (average absolute value of relative errors) and 12%, respectively. The more commonly used method, which uses empirically estimated H2O+ and CO+ ion intensities to avoid gas phase air interferences at these ions (referred to here as "Aiken-Ambient"), reproduces O : C and H : C of multifunctional oxidized species within 28 and 14% of known values. The values from the latter method are systematically biased low, however, with larger biases observed for alcohols and simple diacids. A detailed examination of the H2O+, CO+, and CO2+ fragments in the high-resolution mass spectra of the standard compounds indicates that the Aiken-Ambient method underestimates the CO+ and especially H2O+ produced from many oxidized species. Combined AMS–vacuum ultraviolet (VUV) ionization measurements indicate that these ions are produced by dehydration and decarboxylation on the AMS vaporizer (usually operated at 600 °C). Thermal decomposition is observed to be efficient at vaporizer temperatures down to 200 °C. These results are used together to develop an "Improved-Ambient" elemental analysis method for AMS spectra measured in air. The Improved-Ambient method uses specific ion fragments as markers to correct for molecular functionality-dependent systematic biases and reproduces known O : C (H : C) ratios of individual oxidized standards within 28% (13%) of the known molecular values. The error in Improved-Ambient O : C (H : C) values is smaller for theoretical standard mixtures of the oxidized organic standards, which are more representative of the complex mix of species present in ambient OA. For ambient OA, the Improved-Ambient method produces O : C (H : C) values that are 27% (11%) larger than previously published Aiken-Ambient values; a corresponding increase of 9% is observed for OM : OC values. These results imply that ambient OA has a higher relative oxygen content than previously estimated. The OS C values calculated for ambient OA by the two methods agree well, however (average relative difference of 0.06 OS C units). This indicates that OS C is a more robust metric of oxidation than O : C, likely since OS C is not affected by hydration or dehydration, either in the atmosphere or during analysis.« less

  18. Elemental ratio measurements of organic compounds using aerosol mass spectrometry: characterization, improved calibration, and implications

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Canagaratna, M. R.; Jimenez, J. L.; Kroll, J. H.; Chen, Q.; Kessler, S. H.; Massoli, P.; Hildebrandt Ruiz, L.; Fortner, E.; Williams, L. R.; Wilson, K. R.; et al

    2014-07-31

    Elemental compositions of organic aerosol (OA) particles provide useful constraints on OA sources, chemical evolution, and effects. The Aerodyne high-resolution time-of-flight aerosol mass spectrometer (HR-ToF-AMS) is widely used to measure OA elemental composition. This study evaluates AMS measurements of atomic oxygen-to-carbon (O : C), hydrogen-to-carbon (H : C), organic mass-to-organic carbon (OM : OC), and carbon oxidation state (OSC) for a vastly expanded laboratory dataset of multifunctional oxidized OA standards. For the expanded standard dataset, the "Aiken-Explicit" method (Aiken et al., 2008), which uses experimentally measured ion intensities at all ions to determine elementalmore »ratios, reproduces known molecular O : C and H : C ratio values within 20% (average absolute value of relative errors) and 12% respectively. The more commonly used "Aiken-Ambient" method, which uses empirically estimated H2O+ and CO+ ion intensities to avoid gas phase air interferences at these ions, reproduces O : C and H : C of multifunctional oxidized species within 28% and 14% of known values. These values are systematically biased low, however, with larger biases observed for alcohols and simple diacids. A detailed examination of the H2O+, CO+, and CO2+ fragments in the high-resolution mass spectra of the standard compounds indicates that the Aiken-Ambient method underestimates the CO+ and H2O+ produced from many oxidized species. Combined AMS-vacuum ultraviolet (VUV) ionization measurements indicate that these ions are produced by dehydration and decarboxylation on the AMS vaporizer (usually operated at 600 °C). Thermal decomposition is observed to be efficient at vaporizer temperatures down to 200 °C. These results are used together to develop an "Improved-Ambient" elemental analysis method for AMS spectra measured in air. The Improved-Ambient method reduces the systematic biases and reproduces O : C (H : C) ratios of individual oxidized standards within 28% (13%) of the known molecular values. The error in Improved-Ambient O : C and H : C values is smaller (12% and 4% respectively) for synthetic mixtures of the oxidized organic standards, which are more representative of the complex mix of species present in ambient OA. For ambient OA, the Improved-Ambient method produces O : C (H : C) values that are 27% (11%) larger than previously published Aiken-Ambient values; a corresponding increase of 9% is observed for OM : OC values. These results imply that ambient OA has a higher relative oxygen content than previously estimated. The OSC values calculated for ambient OA by the two methods agree well, however (average relative difference of 0.06 OSC units). This indicates that OSC is a more robust metric of oxidation than O : C, likely since OSC is not affected by hydration or dehydration, either in the atmosphere or during analysis.« less

  19. Elemental ratio measurements of organic compounds using aerosol mass spectrometry: Characterization, improved calibration, and implications

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Canagaratna, M. R.; Jimenez, J. L.; Kroll, J. H.; Chen, Q.; Kessler, S. H.; Massoli, P.; Ruiz, L. Hildebrandt; Fortner, E.; Williams, L. R.; Wilson, K. R.; et al

    2015-01-12

    Elemental compositions of organic aerosol (OA) particles provide useful constraints on OA sources, chemical evolution, and effects. The Aerodyne high-resolution time-of-flight aerosol mass spectrometer (HR-ToF-AMS) is widely used to measure OA elemental composition. This study evaluates AMS measurements of atomic oxygen-to-carbon (O : C), hydrogen-to-carbon (H : C), and organic mass-to-organic carbon (OM : OC) ratios, and of carbon oxidation state (OS C) for a vastly expanded laboratory data set of multifunctional oxidized OA standards. For the expanded standard data set, the method introduced by Aiken et al. (2008), which uses experimentally measured ionmore »intensities at all ions to determine elemental ratios (referred to here as "Aiken-Explicit"), reproduces known O : C and H : C ratio values within 20% (average absolute value of relative errors) and 12%, respectively. The more commonly used method, which uses empirically estimated H2O+ and CO+ ion intensities to avoid gas phase air interferences at these ions (referred to here as "Aiken-Ambient"), reproduces O : C and H : C of multifunctional oxidized species within 28 and 14% of known values. The values from the latter method are systematically biased low, however, with larger biases observed for alcohols and simple diacids. A detailed examination of the H2O+, CO+, and CO2+ fragments in the high-resolution mass spectra of the standard compounds indicates that the Aiken-Ambient method underestimates the CO+ and especially H2O+ produced from many oxidized species. Combined AMS–vacuum ultraviolet (VUV) ionization measurements indicate that these ions are produced by dehydration and decarboxylation on the AMS vaporizer (usually operated at 600 °C). Thermal decomposition is observed to be efficient at vaporizer temperatures down to 200 °C. These results are used together to develop an "Improved-Ambient" elemental analysis method for AMS spectra measured in air. The Improved-Ambient method uses specific ion fragments as markers to correct for molecular functionality-dependent systematic biases and reproduces known O : C (H : C) ratios of individual oxidized standards within 28% (13%) of the known molecular values. The error in Improved-Ambient O : C (H : C) values is smaller for theoretical standard mixtures of the oxidized organic standards, which are more representative of the complex mix of species present in ambient OA. For ambient OA, the Improved-Ambient method produces O : C (H : C) values that are 27% (11%) larger than previously published Aiken-Ambient values; a corresponding increase of 9% is observed for OM : OC values. These results imply that ambient OA has a higher relative oxygen content than previously estimated. The OS C values calculated for ambient OA by the two methods agree well, however (average relative difference of 0.06 OS C units). This indicates that OS C is a more robust metric of oxidation than O : C, likely since OS C is not affected by hydration or dehydration, either in the atmosphere or during analysis.« less

  20. Beyond single particle mass spectrometry: multidimensional characterisation of individual aerosol particles

    SciTech Connect (OSTI)

    Zelenyuk, Alla; Imre, D.

    2009-09-10

    The behavior of small aerosol particles depends on a number of their physical and chemical properties, many of which are strongly coupled. The size, internal composition, density, shape, morphology, hygroscopicity, index of refraction, activity as cloud condensation nuclei and ice nuclei, and other attributes of individual particles - all play a role in determining particle properties and their impacts. The traditional particle characterization approaches rely on separate parallel measurements that average over an ensemble of particles of different sizes and/or compositions and later attempt to draw correlations between them. As a result such studies overlook critical differences between particles and bulk and miss the fact that individual particles often exhibit major differences. Here we review the recently developed methods to simultaneously measure in-situ and in real time several of the attributes for individual particles using single particle mass spectrometer, SPLAT or its second generation SPLAT II. We also discuss novel approaches developed for classification, visualization and mining of large datasets produced by the multidimensional single particle characterization.

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

    SciTech Connect (OSTI)

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

    1999-06-14

    Detection of Chemical/Biological Agents and Simulants A new detector for chemical and biological agents is being developed for the U. S. Army under the Chemical and Biological Mass Spectrometer Block II program. The CBMS Block II is designed to optimize detection of both chemical and biological agents through the use of direct sampling inlets [I], a multi- ported sampling valve and a turbo- based vacuum system to support chemical ionization. Unit mass resolution using air as the buffer gas [2] has been obtained using this design. Software to control the instrument and to analyze the data generated from the instrument has also been newly developed. Detection of chemical agents can be accomplished. using the CBMS Block II design via one of two inlets - a l/ I 6'' stainless steel sample line -Chemical Warfare Air (CW Air) or a ground probe with enclosed capillary currently in use by the US Army - CW Ground. The Block II design is capable of both electron ionization and chemical ionization. Ethanol is being used as the Cl reagent based on a study indicating best performance for the Biological Warfare (BW) detection task (31). Data showing good signal to noise for 500 pg of methyl salicylate injected into the CW Air inlet, 50 ng of dimethylmethylphosphonate exposed to the CW Ground probe and 5 ng of methyl stearate analyzed using the pyrolyzer inlet were presented. Biological agents are sampled using a ''bio-concentrator'' unit that is designed to concentrate particles in the low micron range. Particles are collected in the bottom of a quartz pyrolyzer tube. An automated injector is being developed to deliver approximately 2 pL of a methylating reagent, tetramethylamonium- hydroxide to 'the collected particles. Pyrolysis occurs by rapid heating to ca. 55OOC. Biological agents are then characterized by their fatty acid methyl ester profiles and by other biomarkers. A library of ETOH- Cl/ pyrolysis MS data of microorganisms used for a recently published study [3] has been 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 .

  2. Investigations into the origins of polyatomic ions in inductively coupled plasma-mass spectrometry

    SciTech Connect (OSTI)

    McIntyre, Sally M.

    2010-05-16

    An inductively coupled plasma-mass spectrometer (ICP-MS) is an elemental analytical instrument capable of determining nearly all elements in the periodic table at limits of detection in the parts per quadrillion and with a linear analytical range over 8-10 orders of magnitude. Three concentric quartz tubes make up the plasma torch. Argon gas is spiraled through the outer tube and generates the plasma powered by a looped load coil operating at 27.1 or 40.6 MHz. The argon flow of the middle channel is used to keep the plasma above the innermost tube through which solid or aqueous sample is carried in a third argon stream. A sample is progressively desolvated, atomized and ionized. The torch is operated at atmospheric pressure. To reach the reduced pressures of mass spectrometers, ions are extracted through a series of two, approximately one millimeter wide, circular apertures set in water cooled metal cones. The space between the cones is evacuated to approximately one torr. The space behind the second cone is pumped down to, or near to, the pressure needed for the mass spectrometer (MS). The first cone, called the sampler, is placed directly in the plasma plume and its position is adjusted to the point where atomic ions are most abundant. The hot plasma gas expands through the sampler orifice and in this expansion is placed the second cone, called the skimmer. After the skimmer traditional MS designs are employed, i.e. quadrupoles, magnetic sectors, time-of-flight. ICP-MS is the leading trace element analysis technique. One of its weaknesses are polyatomic ions. This dissertation has added to the fundamental understanding of some of these polyatomic ions, their origins and behavior. Although mainly continuing the work of others, certain novel approaches have been introduced here. Chapter 2 includes the first reported efforts to include high temperature corrections to the partition functions of the polyatomic ions in ICP-MS. This and other objections to preceeding papers in this area were addressed. Errors in the measured T{sub gas} values were found for given errors in the experimental and spectroscopic values. The ionization energy of the neutral polyatomic ion was included in calculations to prove the validity of ignoring more complicated equilibria. Work was begun on the question of agreement between kinetics of the plasma and interface and the increase and depletion seen in certain polyatomic ions. This dissertation was also the first to report day to day ranges for T{sub gas} values and to use a statistical test to compare different operating conditions. This will help guide comparisons of previous and future work. Chapter 4 was the first attempt to include the excited electronic state 2 in the partition function of ArO{sup +} as well as the first to address the different dissociation products of the ground and first electronic levels of ArO{sup +}. Chapter 5 reports an interesting source of memory in ICP-MS that could affect mathematical corrections for polyatomic ions. For future work on these topics I suggest the following experiments and investigations. Clearly not an extensive list, they are instead the first topics curiosity brings to mind. (1) Measurement of T{sub gas} values when using the flow injection technique of Appendix B. It was believed that there was a fundamental difference in the plasma when the auto-sampler was used versus a continuous injection. Is this reflected in T{sub gas} values? (2) The work of Chapter 3 can be expanded and supplemented with more trials, new cone materials (i.e. copper, stainless steel) and more cone geometries. Some of this equipment is already present in the laboratory, others could be purchased or made. (3) T{sub gas} values from Chapter 3 could be correlated with instrument pressures during the experiment. Pressures after the skimmer cone were recorded for many days but have yet to be collated with the measured T{sub gas} values. (4) The work in Chapter 5 could be expanded to include more metals. Does the curious correlation between measured T{sub gas} and element boili

  3. A laser and molecular beam mass spectrometer study of low-pressure dimethyl ether flames

    SciTech Connect (OSTI)

    Andrew McIlroy; Toby D. Hain; Hope A. Michelsen; Terrill A. Cool

    2000-12-15

    The oxidation of dimethyl ether (DME) is studied in low-pressure flames using new molecular beam mass spectrometer and laser diagnostics. Two 30.0-Torr, premixed DME/oxygen/argon flames are investigated with stoichiometries of 0.98 and 1.20. The height above burner profiles of nine stable species and two radicals are measured. These results are compared to the detailed chemical reaction mechanism of Curran and coworkers. Generally good agreement is found between the model and data. The largest discrepancies are found for the methyl radical profiles where the model predicts qualitatively different trends in the methyl concentration with stoichiometry than observed in the experiment.

  4. Investigating the Synthesis of Ligated Metal Clusters in Solution Using a Flow Reactor and Electrospray Ionization Mass Spectrometry

    SciTech Connect (OSTI)

    Olivares, Astrid M.; Laskin, Julia; Johnson, Grant E.

    2014-09-18

    The scalable synthesis of subnanometer metal clusters containing an exact number of atoms is of interest due to the highly size-dependent catalytic, electronic and optical properties of these species. While significant research has been conducted on the batch preparation of clusters through reduction synthesis in solution, the processes of metal complex reduction as well as cluster nucleation, growth and post-reduction etching are still not well understood. Herein, we demonstrate a temperature-controlled flow reactor for studying cluster formation in solution at well-defined conditions. Employing this technique methanol solutions of a chloro(triphenylphosphine)gold precursor, 1,4-bis(diphenylphosphino)butane capping ligand and borane-tert-butylamine reducing agent were combined in a mixing tee and introduced into a heated capillary with an adjustable length. In this manner, the temperature dependence of the relative abundance of different ionic reactants, intermediates and products synthesized in real time was characterized using online mass spectrometry. A wide distribution of doubly and triply charged cationic gold clusters was observed as well as smaller singly charged metal-ligand complexes. The results demonstrate that temperature plays a crucial role in determining the relative population of cationic gold clusters and, in general, that higher temperature promotes the formation of doubly charged clusters and singly charged metal-ligand complexes while hindering the growth of triply charged clusters. Moreover, the distribution of clusters observed at elevated temperatures is found to be consistent with that obtained at longer reaction times at room temperature, thereby demonstrating that heating may be used to access cluster distributions characteristic of different stages of reduction synthesis in solution.

  5. Gas-phase and Solution-phase Peptide Conformations Studied by Ion Mobility-mass Spectrometry and Molecular Dynamics Simulations 

    E-Print Network [OSTI]

    Chen, Liuxi

    2012-10-19

    Ion mobility spectrometry (IMS) separates ions on the basis of ion-neutral collision cross-sections (CCS, [omega]), which are determined by the geometry or conformation of the ions. The size-based IM separation can be ...

  6. Investigation of the effect of intra-molecular interactions on the gas-phase conformation of peptides as probed by ion mobility-mass spectrometry, gas-phase hydrogen/deuterium exchange, and molecular mechanics 

    E-Print Network [OSTI]

    Sawyer, Holly Ann

    2006-04-12

    Ion mobility-mass spectrometry (IM-MS), gas-phase hydrogen/deuterium (H/D) exchange ion molecule reactions and molecular modeling provide complimentary information and are used here for the characterization of peptide ion structure, including fine...

  7. Chemistry of ?-pinene and naphthalene oxidation products generated in a Potential Aerosol Mass (PAM) chamber as measured by acetate chemical ionization mass spectrometry

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Chhabra, P. S.; Lambe, A. T.; Canagaratna, M. R.; Stark, H.; Jayne, J. T.; Onasch, T. B.; Davidovits, P.; Kimmel, J. R.; Worsnop, D. R.

    2014-07-01

    Recent developments in high resolution, time-of-flight chemical ionization mass spectrometry (HR-ToF-CIMS) have made possible the direct detection of atmospheric organic compounds in real-time with high sensitivity and with little or no fragmentation, including low volatility, highly oxygenated organic vapors that are precursors to secondary organic aerosol formation. Here, for the first time, we examine gas-phase O3 and OH oxidation products of ?-pinene and naphthalene formed in the PAM flow reactor with an HR-ToF-CIMS using acetate reagent ion chemistry. Integrated OH exposures ranged from 1.2 × 1011 to 9.7 × 1011 molec cm?3 s, corresponding to approximately 1.0 to 7.5 daysmore »of equivalent atmospheric oxidation. Measured gas-phase organic acids are similar to those previously observed in environmental chamber studies. For both precursors, we find that acetate-CIMS spectra capture both functionalization (oxygen addition) and fragmentation (carbon loss) as a function of OH exposure. The level of fragmentation is observed to increase with increased oxidation. We present a method that estimates vapor pressures of organic molecules using the measured O/C ratio, H/C ratio, and carbon number for each compound detected by the CIMS. The predicted condensed-phase SOA average acid yields and O/C and H/C ratios agree within uncertainties with previous AMS measurements and ambient CIMS results. While acetate reagent ion chemistry is used to selectively measure organic acids, in principle this method can be applied to additional reagent ion chemistries depending on the application.« less

  8. Characterization of human expired breath by solid phase microextraction and analysis using gas chromatography-mass spectrometry and differential mobility spectrometry

    E-Print Network [OSTI]

    Merrick, William (William F. W.)

    2005-01-01

    Breath analysis has potential to become a new medical diagnostic modality. In this thesis, a method for the analysis of human expired breath was developed using gas chromatography-mass spectroscopy. It was subsequently ...

  9. Accelerator mass spectrometry facility at the University of Washington: current status, and an application to the /sup 14/C profile of a tree ring

    SciTech Connect (OSTI)

    Farwell, G.W.; Grootes, P.M.; Leach, D.D.; Schmidt, F.H.

    1984-01-01

    The University of Washington Model FN Tandem accelerator (1) is used for Accelerator Mass Spectrometry (AMS) of /sup 10/Be and /sup 14/C. This paper describes our basic system, our methods for rare-isotope normalization, final ion detection, and sample preparation, and the general problem of adapting an existing accelerator to meet the stringent stability requirements of precision AMS measurements while retaining human and technical compatibility with other users and uses of the accelerator. Recent preliminary data obtained on /sup 14/C in thin sequential sections of a single Sitka spruce tree ring (1963) are presented.

  10. New approaches for the chemical and physical characterization of aerosols using a single particle mass spectrometry based technique

    E-Print Network [OSTI]

    Spencer, Matthew Todd

    2007-01-01

    1-2% of the oil mass, however the calcium ion peak at m/z 40and elemental carbon (EC) peaks. The HDDV oil mass spectraoil mass spectra were characterized by an intense Ca + ion peak and

  11. Rapid characterization of lignocellulosic feedstocks for fuels and chemicals: Molecular beam mass spectrometric approach

    SciTech Connect (OSTI)

    Agblevor, F.A.; Davis, M.F. [National Renewable Energy Lab., Golden, CO (United States)

    1996-12-31

    Rapid characterization of biomass feedstocks has a pivotal role in the development of biomass energy because of the large number of samples that must be analyzed due to the diversity of biomass feedstocks and the significant differences in the chemical and physical properties of these feedstocks. Several biomass feedstocks (herbaceous, woody, and agricultural residues) were screened for the effects of storage, season of harvest, geographic location, clonal, and species variation on the pyrolysis products of the feed stocks. For herbaceous species such as sericea lespedeza, the season of harvest had a significant effect on the pyrolysis products. Effects of clonal variation on the composition of hybrid poplar feedstocks was easily discerned with the molecular beam mass spectrometric analysis. The effect of geographic location on the poplar clones pyrolysis products was minimal. However in the case of switchgrass, varietal influence on the pyrolysis products was minimal, but where the plant was grown had a strong influence on the pyrolysis products of the feedstock. Significant differences because of species variation could also be shown from the pyrolysis products of various biomass feedstocks. The influence of storage time on biomass samples stored outside in the open could also be discerned from the pyrolysis products of the feedstocks. The differences noted in the pyrolysis products of the feedstocks were noted for samples which were significantly degraded during storage either through the action of microflora or weathering.

  12. Direct determination of the adiabatic ionization energy of NO2 as measured by guided ion-beam mass spectrometry

    E-Print Network [OSTI]

    Clemmer, David E.

    by examining qualitative potential-energy surfaces for the charge-transfer processes; I. INTRODUCTION During: + NO oc- curs efficiently at thermal energies, suggesting that IE( NO,) )IE(NO) = 9.264 36 + 0.000 06 e processes. They obtained IE(N0,) energy peak observed coupled with a vibra- tional

  13. Characterization of Ambient Aerosols in Mexico City during the MCMA-2003 Campaign with Aerosol Mass Spectrometry. Results from the CENICA Supersite

    SciTech Connect (OSTI)

    Salcedo, D.; Onasch, Timothy B.; Dzepina, K.; Canagaratna, M. R.; Zhang, Q.; Huffman, A. J.; DeCarlo, Peter; Jayne, J. T.; Mortimer, P.; Worsnop, Douglas R.; Kolb, C. E.; Johnson, Kirsten S.; Zuberi, Bilal M.; Marr, L.; Volkamer, Rainer M.; Molina, Luisa; Molina, Mario J.; Cardenas, B.; Bernabe, R.; Marquez, C.; Gaffney, Jeffrey S.; Marley, Nancy A.; Laskin, Alexander; Shutthanandan, V.; Xie, YuLong; Brune, W. H.; Lesher, R.; Shirley, T.; Jiminez, J. L.

    2006-03-24

    An Aerodyne Aerosol Mass Spectrometer (AMS) was deployed at the CENICA Supersite, while another was deployed in the Aerodyne Mobile Laboratory (AML) during the Mexico City Metropolitan Area field study (MCMA-2003) from March 29-May 4, 2003 to investigate particle concentrations, sources, and processes. This is the first of a series of papers reporting the AMS results from this campaign. The AMS provides real time information on mass concentration and composition of the non-refractory species in particulate matter less than 1 ?m (NR PM1) with high time and size resolution. For the first time, we report field results from a beam width probe, which was used to study the shape and mixing state of the particles and to quantify potential losses of irregular particles due to beam broadening inside the AMS. Data from this probe show that no significant amount of irregular particles was lost due to excessive beam broadening. A comparison of the CENICA and AML AMSs measurements is presented, being the first published intercomparison between two quadrupole AMSs. The speciation, and mass concentrations reported by the two AMSs compared well. In order to account for the refractory material in the aerosol, we also present measurements of Black Carbon (BC) using an aethalometer and an estimate of the aerosol soil component obtained from PIXE analysis of filters. Comparisons of (AMS + BC + soil) mass concentration with other collocated particle instruments (a LASAIR Optical Particle Counter, a Tapered Element Oscillating Microbalance (TEOM) and a DustTrack Aerosol Monitor) are also presented. The comparisons show that the (AMS + BC + soil) mass concentration during MCMC-2003 is a good approximation to the total PM??? mass concentration.

  14. Improvement in Thermal-Ionization Mass Spectrometry (TIMS) using Total Flash Evaporation (TFE) method for lanthanides isotope ratio measurements in transmutation targets

    SciTech Connect (OSTI)

    Mialle, S.; Gourgiotis, A.; Aubert, M.; Stadelmann, G.; Gautier, C.; Isnard, H.

    2011-07-01

    The experiments involved in the PHENIX french nuclear reactor to obtain precise and accurate data on the total capture cross sections of the heavy isotopes and fission products require isotopic ratios measurements with uncertainty of a few per mil. These accurate isotopic ratio measurements are performed with mass spectrometer equipped with multi-collector system. The major difficulty for the analyses of these actinides and fission products is the low quantity of the initial powder enclosed in steel container (3 to 5 mg) and the very low quantities of products formed (several {mu}g) after irradiation. Specific analytical developments are performed by Thermal Ionization Mass Spectrometry (TIMS) to be able to analyse several nanograms of elements with this technique. A specific method of acquisition named Total Flash Evaporation was adapted in this study in the case of lanthanide measurements for quantity deposited on the filament in the order of 2 ng and applied on irradiated fuel. To validate the analytical approach and discuss about the accuracy of the data, the isotopic ratios obtained by TIMS are compared with other mass spectrometric techniques such as Multiple-Collector Inductively Coupled Plasma Mass Spectrometer (MC-ICPMS). (authors)

  15. Laser ablation-inductively coupled plasma-mass spectrometry: Examinations of the origins of polyatomic ions and advances in the sampling of particulates

    SciTech Connect (OSTI)

    Witte, Travis

    2011-11-30

    This dissertation provides a general introduction to Inductively coupled plasma-mass spectrometry (ICP-MS) and laser ablation (LA) sampling, with an examination of analytical challenges in the employment of this technique. It discusses the origin of metal oxide ions (MO+) in LA-ICP-MS, as well as the effect of introducing helium and nitrogen to the aerosol gas flow on the formation of these polyatomic interferences. It extends the study of polyatomic ions in LA-ICP-MS to metal argide (MAr+) species, an additional source of possible significant interferences in the spectrum. It describes the application of fs-LA-ICP-MS to the determination of uranium isotope ratios in particulate samples.

  16. Determination of parts-per-billion concentrations of dioxane in water and soil by purge and trap gas chromatography/mass spectrometry or charcoal tube enrichment gas chromatography

    SciTech Connect (OSTI)

    Epstein, P.S.; Mauer, T.; Wagner, M.; Chase, S.; Giles, B.

    1987-08-01

    Two methods for the determination of 1,4-dioxane in water have been studied. The first method is a heated purge and trap gas chromatography/mass spectrometry system following salting out with sodium sulfate. The second method is an adsorption on coconut-shell charcoal and solvent desorption with carbon disulfide/methanol followed by analysis of the desorbate by gas chromatography with flame ionization detection. The first method is also successful for the determination of 1,4-dioxane in solids and sediments. The second method is shown to be successful for 2-butanone, 4-methyl-2-pentanone, and butoxyethanol in water. The two methods are compared by analyzing 15 samples by both methods and achieving similar results.

  17. Application of high-resolution time-of-flight chemical ionization mass spectrometry measurements to estimate volatility distributions of ?-pinene and naphthalene oxidation products

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Chhabra, P. S.; Lambe, A. T.; Canagaratna, M. R.; Stark, H.; Jayne, J. T.; Onasch, T. B.; Davidovits, P.; Kimmel, J. R.; Worsnop, D. R.

    2015-01-05

    Recent developments in high-resolution time-of-flight chemical ionization mass spectrometry (HR-ToF-CIMS) have made it possible to directly detect atmospheric organic compounds in real time with high sensitivity and with little or no fragmentation, including low-volatility, highly oxygenated organic vapors that are precursors to secondary organic aerosol formation. Here, using ions identified by high-resolution spectra from an HR-ToF-CIMS with acetate reagent ion chemistry, we develop an algorithm to estimate the vapor pressures of measured organic acids. The algorithm uses identified ion formulas and calculated double bond equivalencies, information unavailable in quadrupole CIMS technology, as constraints for the number of possible oxygen-containing functionalmore »groups. The algorithm is tested with acetate chemical ionization mass spectrometry (acetate-CIMS) spectra of O3 and OH oxidation products of ?-pinene and naphthalene formed in a flow reactor with integrated OH exposures ranged from 1.2 × 1011 to 9.7 × 1011 molec s cm?3, corresponding to approximately 1.0 to 7.5 days of equivalent atmospheric oxidation. Measured gas-phase organic acids are similar to those previously observed in environmental chamber studies. For both precursors, we find that acetate-CIMS spectra capture both functionalization (oxygen addition) and fragmentation (carbon loss) as a function of OH exposure. The level of fragmentation is observed to increase with increased oxidation. The predicted condensed-phase secondary organic aerosol (SOA) average acid yields and O/C and H/C ratios agree within uncertainties with previous chamber and flow reactor measurements and ambient CIMS results. While acetate reagent ion chemistry is used to selectively measure organic acids, in principle this method can be applied to additional reagent ion chemistries depending on the application.« less

  18. Ion mass spectrometry investigations of the discharge during reactive high power pulsed and direct current magnetron sputtering of carbon in Ar and Ar/N{sub 2}

    SciTech Connect (OSTI)

    Schmidt, S.; Greczynski, G.; Jensen, J.; Hultman, L.; Czigany, Zs.

    2012-07-01

    Ion mass spectrometry was used to investigate discharges formed during high power impulse magnetron sputtering (HiPIMS) and direct current magnetron sputtering (DCMS) of a graphite target in Ar and Ar/N{sub 2} ambient. Ion energy distribution functions (IEDFs) were recorded in time-averaged and time-resolved mode for Ar{sup +}, C{sup +}, N{sub 2}{sup +}, N{sup +}, and C{sub x}N{sub y}{sup +} ions. An increase of N{sub 2} in the sputter gas (keeping the deposition pressure, pulse width, pulse frequency, and pulse energy constant) results for the HiPIMS discharge in a significant increase in C{sup +}, N{sup +}, and CN{sup +} ion energies. Ar{sup +}, N{sub 2}{sup +}, and C{sub 2}N{sup +} ion energies, in turn, did not considerably vary with the changes in working gas composition. The HiPIMS process showed higher ion energies and fluxes, particularly for C{sup +} ions, compared to DCMS. The time evolution of the plasma species was analyzed for HiPIMS and revealed the sequential arrival of working gas ions, ions ejected from the target, and later during the pulse-on time molecular ions, in particular CN{sup +} and C{sub 2}N{sup +}. The formation of fullerene-like structured CN{sub x} thin films for both modes of magnetron sputtering is explained by ion mass-spectrometry results and demonstrated by transmission electron microscopy as well as diffraction.

  19. Enzymatic Digestion in Aqueous-Organic Solvents: A Mass Spectrometry-Based Approach in Monitoring Protein Conformation Changes 

    E-Print Network [OSTI]

    Tuvilla, Mavreen Rose

    2013-05-08

    -organic solvent systems. The technique involved trypsin digestion and generation of peptide mass maps. For cytochrome c, the experiments were done with ethanol, methanol and acetonitrile to gain insights on naturation and denaturation. An apparent solvent effect...

  20. Characterisation of individual airborne particles by using aerosol time-of-flight mass spectrometry (ATOFMS) at Mace Head, Ireland, 

    E-Print Network [OSTI]

    Dall'Osto, Manuel; Beddows, David C S; Kinnersley, Robert P; Harrison, Roy M; Donovan, Robert J; Heal, Mathew R

    2004-01-01

    An aerosol time-of-flight mass spectrometer was deployed at Mace Head (Ireland) during August 2002. The measurements provide qualitative chemical composition and size distribution (0.3–3 ?m) information for single ...

  1. Final Technical Report for DE-FG02-06ER15835: Chemical Imaging with 100nm Spatial Resolution: Combining High Resolution Flurosecence Microscopy and Ion Mobility Mass Spectrometry

    SciTech Connect (OSTI)

    Buratto, Steven K.

    2013-09-03

    We have combined, in a single instrument, high spatial resolution optical microscopy with the chemical specificity and conformational selectivity of ion mobility mass spectrometry. We discuss the design and construction of this apparatus as well as our efforts in applying this technique to thin films of molecular semiconductor materials.

  2. Laser ablation and ionisation by laser plasma radiation in the atmospheric-pressure mass spectrometry of organic compounds

    SciTech Connect (OSTI)

    Pento, A V; Nikiforov, S M; Simanovsky, Ya O; Grechnikov, A A; Alimpiev, S S

    2013-01-31

    A new method was developed for the mass spectrometric analysis of organic and bioorganic compounds, which involves laser ablation with the ionisation of its products by laser-plasma radiation and enables analysing gaseous, liquid, and solid substances at atmospheric pressure without sample preparation. The capabilities of this method were demonstrated by the examples of fast pharmaceutical composition screening, real-time atmosphere composition analysis, and construction of the mass spectrometric images of organic compound distributions in biological materials. (interaction of laser radiation with matter)

  3. Analysis on the Go: Quantitation of Drugs of Abuse in Dried Urine with Digital Microfluidics and Miniature Mass Spectrometry

    E-Print Network [OSTI]

    Zandstra, Peter W.

    Analysis on the Go: Quantitation of Drugs of Abuse in Dried Urine with Digital Microfluidics the development of a method coupling microfluidics and a miniature mass spectrometer, applied to quantitation of drugs of abuse in urine. A custom digital microfluidic system was designed to deliver droplets

  4. Molecular Characterization of Organosulfates in Organic Aerosols from Shanghai and Los Angeles Urban Areas by Nanospray-Desorption Electrospray Ionization High-Resolution Mass Spectrometry

    SciTech Connect (OSTI)

    Tao, Shikang; Lu, Xiaohui; Levac, Nicole A.; Bateman, Adam P.; Nguyen, Tran B.; Bones, David L.; Nizkorodov, Sergey; Laskin, Julia; Laskin, Alexander; Yang, Xin

    2014-08-21

    Aerosol samples collected in the urban areas of Shanghai and Los Angeles were analyzed by nanospray-desorption electrospray ionization mass spectrometry (nano-DESI MS) with high mass resolution (m/?m=100,000). Solvent mixtures of acetonitrile/water and acetonitrile/toluene were used to extract and ionize polar and non-polar compounds, respectively. A diverse mixture of oxygenated hydrocarbons, organosulfates, organonitrates, and organics with reduced nitrogen were detected in the Los Angeles sample. Majority of the organics in the Shanghai sample were detected as organosulfates. The dominant organosulfates in the two samples have distinctly different molecular characteristics. Specifically, organosulfates in the Los Angeles sample were dominated by isoprene- or monoterpene-derived products, while organosulfates of yet unknown origin in the Shanghai sample had distinctive characteristics of long aliphatic carbon chains and low degree of oxidation and unsaturation. The use of acetonitrile/toluene solvent facilitated identification of this type of organosulfates, suggesting they could be missed in previous studies relying on sample extraction using common polar solvents. The high molecular weight and low degree of unsaturation and oxidization of the organosulfates detected in the Shanghai sample suggest that they may act as surfactants, and plausibly affect the surface tension and hygroscopicity of the atmospheric particulate matter. We propose that direct esterification of carbonyl or hydroxyl compounds by sulfates or sulfuric acid in liquid phase could be the formation pathway of these special organosulfates. Long-chain alkanes from vehicle emissions might be their precursors.

  5. Applications of ICP magnetic sector multicollector mass spectrometry to basic energy research. Final report for period December 1st, 1993 - May 31st, 2000

    SciTech Connect (OSTI)

    Halliday, A.N.

    2002-05-01

    The primary aims of this research were threefold: to develop and utilize the new technique of multiple collector inductively coupled plasma mass spectrometry and apply it to problems in the earth, ocean, and environmental sciences; to develop new chronometers and improve existing chronometers to allow the accurate determination of the ages of geological features and processes; and to study natural fluid-mediated mass transfer processes and source of components in the crust and the oceans. This technique has now become the preferred method for the determination of the isotopic compositions of a variety of elements in the periodic table. The prototype instrument was used to explore a vast array of isotopic systems and demonstrate applicability to problems as different as the origin of the solar system and smelting methods in the Bronze Age. Highlights of the program are briefly summarized under the following topics: tungsten isotopes and the early solar system; trace siderophile and chalcophile element geochemistry; hafnium isotopes and the early development of the continents; evolution of lead isotopic compositions of the oceans; the isotopic composition and residence time of Hf in seawater; the isotopic compositions of Sr, Hf, Pb, and Nd in dust; U-Th disequilibrium dating of carbonates and soils; in situ U-Th disequilibrium dating of opal.

  6. Laser-Driven Shock Acceleration of Ion Beams from Spherical Mass-Limited Targets

    SciTech Connect (OSTI)

    Henig, A.; Kiefer, D.; Hoerlein, R.; Major, Zs.; Krausz, F.; Habs, D. [Max-Planck-Institut fuer Quantenoptik, Garching (Germany); Department fuer Physik, Ludwig-Maximilians-Universitaet Muenchen, Garching (Germany); Geissler, M. [Max-Planck-Institut fuer Quantenoptik, Garching (Germany); Department of Physics and Astronomy, Queen's University Belfast, Belfast BT7 1NN (United Kingdom); Rykovanov, S. G. [Max-Planck-Institut fuer Quantenoptik, Garching (Germany); Moscow Physics Engineering Institute, Kashirskoe shosse 31, Moscow (Russian Federation); Ramis, R. [ETSI Aeronauticos, Universidad Politecnica de Madrid (Spain); Osterhoff, J.; Veisz, L.; Karsch, S. [Max-Planck-Institut fuer Quantenoptik, Garching (Germany); Schreiber, J. [Max-Planck-Institut fuer Quantenoptik, Garching (Germany); Department fuer Physik, Ludwig-Maximilians-Universitaet Muenchen, Garching (Germany); Blackett Laboratory, Imperial College, London SW7 2AZ (United Kingdom)

    2009-03-06

    We report on experimental studies of ion acceleration from spherical targets of diameter 15 {mu}m irradiated by ultraintense (1x10{sup 20} W/cm{sup 2}) pulses from a 20-TW Ti:sapphire laser system. A highly directed proton beam with plateau-shaped spectrum extending to energies up to 8 MeV is observed in the laser propagation direction. This beam arises from acceleration in a converging shock launched by the laser, which is confirmed by 3-dimensional particle-in-cell simulations. The temporal evolution of the shock-front curvature shows excellent agreement with a two-dimensional radiation pressure model.

  7. Parallel Configuration For Fast Superconducting Strip Line Detectors With Very Large Area In Time Of Flight Mass Spectrometry

    SciTech Connect (OSTI)

    Casaburi, A.; Zen, N.; Suzuki, K.; Ohkubo, M.; Ejrnaes, M.; Cristiano, R.; Pagano, S.

    2009-12-16

    We realized a very fast and large Superconducting Strip Line Detector based on a parallel configuration of nanowires. The detector with size 200x200 {mu}m{sup 2} recorded a sub-nanosecond pulse width of 700 ps in FWHM (400 ps rise time and 530 ps relaxation time) for lysozyme monomers/multimers molecules accelerated at 175 keV in a Time of Flight Mass Spectrometer. This record is the best in the class of superconducting detectors and comparable with the fastest NbN superconducting single photon detector of 10x10 {mu}m{sup 2}. We succeeded in acquiring mass spectra as the first step for a scale-up to {approx}mm pixel size for high throughput MS analysis, while keeping a fast response.

  8. Multiple-ion-beam time-of-flight mass spectrometer Andreas Rohrbacher and Robert E. Continettia)

    E-Print Network [OSTI]

    Continetti, Robert E.

    spot was simultaneously irradiated by a beam of quadrupled Nd:YLF laser radiation 261.75 nm to produce with this detector. Experiments were performed using both metal atom cations Ti and Cr produced by laser desorption discovery of new catalysts,2,3 and the human ge- nome project4 have opened ways to attack important prob

  9. Standard test method for isotopic analysis of hydrolyzed uranium hexafluoride and uranyl nitrate solutions by thermal ionization mass spectrometry

    E-Print Network [OSTI]

    American Society for Testing and Materials. Philadelphia

    2005-01-01

    1.1 This method applies to the determination of isotopic composition in hydrolyzed nuclear grade uranium hexafluoride. It covers isotopic abundance of 235U between 0.1 and 5.0 % mass fraction, abundance of 234U between 0.0055 and 0.05 % mass fraction, and abundance of 236U between 0.0003 and 0.5 % mass fraction. This test method may be applicable to other isotopic abundance providing that corresponding standards are available. 1.2 This test method can apply to uranyl nitrate solutions. This can be achieved either by transforming the uranyl nitrate solution to a uranyl fluoride solution prior to the deposition on the filaments or directly by depositing the uranyl nitrate solution on the filaments. In the latter case, a calibration with uranyl nitrate standards must be performed. 1.3 This test method can also apply to other nuclear grade matrices (for example, uranium oxides) by providing a chemical transformation to uranyl fluoride or uranyl nitrate solution. 1.4 This standard does not purport to address al...

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

    SciTech Connect (OSTI)

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

    2015-07-21

    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. 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. Charge and frequency resolved isochronous mass spectrometry in storage rings: First direct mass measurement of the short-lived neutron-deficient $^{51}$Co nuclide

    E-Print Network [OSTI]

    P. Shuai; H. S. Xu; X. L. Tu; Y. H. Zhang; B. H. Sun; Yu. A. Litvinov; X. L. Yan; K. Blaum; M. Wang; X. H. Zhou; J. J. He; Y. Sun; K. Kaneko; Y. J. Yuan; J. W. Xia; J. C. Yang; G. Audi; X. C. Chen; G. B. Jia; Z. G. Hu; X. W. Ma; R. S. Mao; B. Mei; Z. Y. Sun; S. T. Wang; G. Q. Xiao; X. Xu; T. Yamaguchi; Y. Yamaguchi; Y. D. Zang; H. W. Zhao; T. C. Zhao; W. Zhang; W. L. Zhan

    2014-04-08

    Revolution frequency measurements of individual ions in storage rings require sophisticated timing detectors. One of common approaches for such detectors is the detection of secondary electrons released from a thin foil due to penetration of the stored ions. A new method based on the analysis of intensities of secondary electrons was developed which enables determination of the charge of each ion simultaneously with the measurement of its revolution frequency. Although the mass-over-charge ratios of $^{51}$Co$^{27+}$ and $^{34}$Ar$^{18+}$ ions are almost identical, and therefore, the ions can not be resolved in a storage ring, by applying the new method the mass excess of the short-lived $^{51}$Co is determined for the first time to be ME($^{51}$Co)=-27342(48) keV. Shell-model calculations in the $fp$-shell nuclei compared to the new data indicate the need to include isospin-nonconserving forces.

  12. Charge and frequency resolved isochronous mass spectrometry in storage rings: First direct mass measurement of the short-lived neutron-deficient $^{51}$Co nuclide

    E-Print Network [OSTI]

    Shuai, P; Tu, X L; Zhang, Y H; Sun, B H; Litvinov, Yu A; Yan, X L; Blaum, K; Wang, M; Zhou, X H; He, J J; Sun, Y; Kaneko, K; Yuan, Y J; Xia, J W; Yang, J C; Audi, G; Chen, X C; Jia, G B; Hu, Z G; Ma, X W; Mao, R S; Mei, B; Sun, Z Y; Wang, S T; Xiao, G Q; Xu, X; Yamaguchi, T; Yamaguchi, Y; Zang, Y D; Zhao, H W; Zhao, T C; Zhang, W; Zhan, W L

    2014-01-01

    Revolution frequency measurements of individual ions in storage rings require sophisticated timing detectors. One of common approaches for such detectors is the detection of secondary electrons released from a thin foil due to penetration of the stored ions. A new method based on the analysis of intensities of secondary electrons was developed which enables determination of the charge of each ion simultaneously with the measurement of its revolution frequency. Although the mass-over-charge ratios of $^{51}$Co$^{27+}$ and $^{34}$Ar$^{18+}$ ions are almost identical, and therefore, the ions can not be resolved in a storage ring, by applying the new method the mass excess of the short-lived $^{51}$Co is determined for the first time to be ME($^{51}$Co)=-27342(48) keV. Shell-model calculations in the $fp$-shell nuclei compared to the new data indicate the need to include isospin-nonconserving forces.

  13. Highly Reproducible Laser Beam Scanning Device for an Internal Source Laser Desorption Microprobe Fourier Transform Mass Spectrometer

    SciTech Connect (OSTI)

    Scott, Jill Rennee; Tremblay, Paul Leland

    2002-03-01

    Traditionally, mass spectrometry has relied on manipulating the sample target to provide scanning capabilities for laser desorption microprobes. This has been problematic for an internal source laser desorption Fourier transform mass spectrometer (LD-FTMS) because of the high magnetic field (7 Tesla) and geometric constraints of the superconducting magnet bore. To overcome these limitations, we have implemented a unique external laser scanning mechanism for an internal source LD-FTMS. This mechanism provides adjustable resolution enhancement so that the spatial resolution at the target is not limited to that of the stepper motors at the light source (~5 µm/step). The spatial resolution is now limited by the practical optical diffraction limit of the final focusing lens. The scanning mechanism employs a virtual source that is wavelength independent up to the final focusing lens, which can be controlled remotely to account for focal length dependence on wavelength. A binary index provides an automatic alignment feature. The virtual source is located ~9 ft from the sample; therefore, it is completely outside of the vacuum system and beyond the 50 G line of the fringing magnetic field. To eliminate reproducibility problems associated with vacuum pump vibrations, we have taken advantage of the magnetic field inherent to the FTMS to utilize Lenz's law for vibrational dampening. The LD-FTMS microprobe has exceptional reproducibility, which enables successive mapping sequences for depth-profiling studies.

  14. Method for ultra-trace cesium isotope ratio measurements from environmental samples using thermal ionization mass spectrometry

    SciTech Connect (OSTI)

    Snow, Mathew S.; Snyder, Darin C.; Mann, Nick R.; White, Byron M.

    2015-05-01

    135Cs/137Cs isotope ratios can provide the age, origin and history of environmental Cs contamination. Relatively high precision 135Cs/137Cs isotope ratio measurements from samples containing femtogram quantities of 137Cs are needed to accurately track contamination resuspension and redistribution following environmental 137Cs releases; however, mass spectrometric analyses of environmental samples are limited by the large quantities of ionization inhibitors and isobaric interferences which are present at relatively high concentrations in the environment. We report a new approach for Cs purification from environmental samples. An initial ammonium molybdophosphate-polyacrylonitrile (AMP-PAN) column provides a robust method for extracting Cs under a wide variety of sample matrices and mass loads. Cation exchange separations using a second AMP-PAN column result in more than two orders of magnitude greater Cs/Rb separation factors than commercially available strong cation exchangers. Coupling an AMP-PAN cation exchanging step to a microcation column (AG50W resin) enables consistent 2-4% (2?) measurement errors for samples containing 3-6,000 fg 137Cs, representing the highest precision 135Cs/137Cs ratio measurements currently reported for soil samples at the femtogram level.

  15. Airborne measurements of sulfur dioxide, dimethyl sulfide, carbon disulfide, and carbonyl sulfide by isotope dilution gas chromatography/mass spectrometry

    SciTech Connect (OSTI)

    Bandy, A.R.; Thornton, D.C.; Driedger, A.R. III [Drexel Univ., Philadelphia, PA (United States)

    1993-12-01

    A gas chromatograph/mass spectrometer is described for determining atmospheric sulfur dioxide, carbon disulfide, dimethyl sulfide, and carbonyl sulfide from aircraft and ship platforms. Isotopically labelled variants of each analyte were used as internal standards to achieve high precision. The lower limit of detection for each species for an integration time of 3 min was 1 pptv for sulfur dioxide and dimethyl sulfide and 0.2 pptv for carbon disulfide and carbonyl sulfide. All four species were simultaneously determined with a sample frequency of one sample per 6 min or greater. When only one or two species were determined, a frequency of one sample per 4 min was achieved. Because a calibration is included in each sample, no separate calibration sequence was needed. Instrument warmup was only a few minutes. The instrument was very robust in field deployments, requiring little maintenance.

  16. Identification of volatile butyl rubber thermal-oxidative degradation products by cryofocusing gas chromatography/mass spectrometry (cryo-GC/MS).

    SciTech Connect (OSTI)

    Smith, Jonell Nicole; White, Michael Irvin; Bernstein, Robert; Hochrein, James Michael

    2013-02-01

    Chemical structure and physical properties of materials, such as polymers, can be altered as aging progresses, which may result in a material that is ineffective for its envisioned intent. Butyl rubber formulations, starting material, and additives were aged under thermal-oxidative conditions for up to 413 total days at up to 124 %C2%B0C. Samples included: two formulations developed at Kansas City Plant (KCP) (%236 and %2310), one commercially available formulation (%2321), Laxness bromobutyl 2030 starting material, and two additives (polyethylene AC-617 and Vanax MBM). The low-molecular weight volatile thermal-oxidative degradation products that collected in the headspace over the samples were preconcentrated, separated, and detected using cryofocusing gas chromatography mass spectrometry (cryo-GC/MS). The majority of identified degradation species were alkanes, alkenes, alcohols, ketones, and aldehydes. Observations for Butyl %2310 aged in an oxygen-18 enriched atmosphere (18O2) were used to verify when the source of oxygen in the applicable degradation products was from the gaseous environment rather than the polymeric mixture. For comparison purposes, Butyl %2310 was also aged under non-oxidative thermal conditions using an argon atmosphere.

  17. Investigation of the chemical interface in the soybean–aphid and rice–bacteria interactions using MALDI-mass spectrometry imaging

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Klein, Adam T.; Yagnik, Gargey B.; Hohenstein, Jessica D.; Ji, Zhiyuan; Zi, Jiachen; Reichert, Malinda D.; MacIntosh, Gustavo C.; Yang, Bing; Peters, Reuben J.; Vela, Javier; et al

    2015-04-27

    Mass spectrometry imaging (MSI) is an emerging technology for high-resolution plant biology. It has been utilized to study plant–pest interactions, but limited to the surface interfaces. Here we expand the technology to explore the chemical interactions occurring inside the plant tissues. Two sample preparation methods, imprinting and fracturing, were developed and applied, for the first time, to visualize internal metabolites of leaves in matrix-assisted laser desorption ionization (MALDI)-MSI. This is also the first time nanoparticle-based ionization was implemented to ionize diterpenoid phytochemicals that were difficult to analyze with traditional organic matrices. The interactions between rice–bacterium and soybean–aphid were investigated asmore »two model systems to demonstrate the capability of high-resolution MSI based on MALDI. Localized molecular information on various plant- or pest-derived chemicals provided valuable insight for the molecular processes occurring during the plant–pest interactions. Basically, salicylic acid and isoflavone based resistance was visualized in the soybean–aphid system and antibiotic diterpenoids in rice–bacterium interactions.« less

  18. Analysis of Nitro-Polycyclic Aromatic Hydrocarbons in Conventional Diesel and Fischer--Tropsch Diesel Fuel Emissions Using Electron Monochromator-Mass Spectrometry

    SciTech Connect (OSTI)

    Havey, C. D.; McCormick, R. L.; Hayes, R. R.; Dane, A. J.; Voorhees, K. J.

    2006-01-01

    The presence of nitro-polycyclic aromatic hydrocarbons (NPAHs) in diesel fuel emissions has been studied for a number of years predominantly because of their contribution to the overall health and environmental risks associated with these emissions. Electron monochromator-mass spectrometry (EM-MS) is a highly selective and sensitive method for detection of NPAHs in complex matrixes, such as diesel emissions. Here, EM-MS was used to compare the levels of NPAHs in fuel emissions from conventional (petroleum) diesel, ultra-low sulfur/low-aromatic content diesel, Fischer-Tropsch synthetic diesel, and conventional diesel/synthetic diesel blend. The largest quantities of NPAHs were detected in the conventional diesel fuel emissions, while the ultra-low sulfur diesel and synthetic diesel fuel demonstrated a more than 50% reduction of NPAH quantities when compared to the conventional diesel fuel emissions. The emissions from the blend of conventional diesel with 30% synthetic diesel fuel also demonstrated a more than 30% reduction of the NPAH content when compared to the conventional diesel fuel emissions. In addition, a correlation was made between the aromatic content of the different fuel types and NPAH quantities and between the nitrogen oxides emissions from the different fuel types and NPAH quantities. The EM-MS system demonstrated high selectivity and sensitivity for detection of the NPAHs in the emissions with minimal sample cleanup required.

  19. Structure and Dynamics of NBD1 from CFTR Characterized Using Crystallography and Hydrogen/Deuterium Exchange Mass Spectrometry

    SciTech Connect (OSTI)

    Lewis, H.A.; Wang, C.; Zhao, X.; Hamuro, Y.; Conners, K.; Kearins, M.C.; Lu, F.; Sauder, J.M.; Molnar, K.S.; Coales, S.J.; Maloney, P.C.; Guggino, W.B.; Wetmore, D.R.; Weber, P.C.; Hunt, J.F. (SGX); (ExSAR); (Cystic); (JHU-MED); (Columbia)

    2012-04-30

    The {Delta}F508 mutation in nucleotide-binding domain 1 (NBD1) of the cystic fibrosis transmembrane conductance regulator (CFTR) is the predominant cause of cystic fibrosis. Previous biophysical studies on human F508 and {Delta}F508 domains showed only local structural changes restricted to residues 509-511 and only minor differences in folding rate and stability. These results were remarkable because {Delta}F508 was widely assumed to perturb domain folding based on the fact that it prevents trafficking of CFTR out of the endoplasmic reticulum. However, the previously reported crystal structures did not come from matched F508 and {Delta}F508 constructs, and the {Delta}F508 structure contained additional mutations that were required to obtain sufficient protein solubility. In this article, we present additional biophysical studies of NBD1 designed to address these ambiguities. Mass spectral measurements of backbone amide {sup 1}H/{sup 2}H exchange rates in matched F508 and {Delta}F508 constructs reveal that {Delta}F508 increases backbone dynamics at residues 509-511 and the adjacent protein segments but not elsewhere in NBD1. These measurements also confirm a high level of flexibility in the protein segments exhibiting variable conformations in the crystal structures. We additionally present crystal structures of a broader set of human NBD1 constructs, including one harboring the native F508 residue and others harboring the {Delta}F508 mutation in the presence of fewer and different solubilizing mutations. The only consistent conformational difference is observed at residues 509-511. The side chain of residue V510 in this loop is mostly buried in all non-{Delta}F508 structures but completely solvent exposed in all {Delta}F508 structures. These results reinforce the importance of the perturbation {Delta}F508 causes in the surface topography of NBD1 in a region likely to mediate contact with the transmembrane domains of CFTR. However, they also suggest that increased exposure of the 509-511 loop and increased dynamics in its vicinity could promote aggregation in vitro and aberrant intermolecular interactions that impede trafficking in vivo.

  20. Polysialylated N-Glycans Identified in Human Serum Through Combined Developments in Sample Preparation, Separations and Electrospray ionization-mass spectrometry

    SciTech Connect (OSTI)

    Kronewitter, Scott R.; Marginean, Ioan; Cox, Jonathan T.; Zhao, Rui; Hagler, Clay D.; Shukla, Anil K.; Carlson, Timothy S.; Adkins, Joshua N.; Camp, David G.; Moore, Ronald J.; Rodland, Karin D.; Smith, Richard D.

    2014-09-02

    The N-glycan diversity of human serum glycoproteins, i.e. the human blood serum N-glycome, is complex due to the range of glycan structures potentially synthesizable by human glycosylation enzymes. The reported glycome, however, is limited by methods of sample preparation, available analytical platforms, e.g., based upon electrospray ionization-mass spectrometry (ESI-MS), and software tools for data analysis. In this report, several improvements have been implemented in sample preparation and analysis to extend ESI-MS glycan characterization and to provide an improved view of glycan diversity. Sample preparation improvements include acidified, microwave-accelerated, PNGase F N-glycan release, and sodium borohydride reduction were optimized to improve quantitative yields and conserve the number of glycoforms detected. Two-stage desalting (during solid phase extraction and on the analytical column) increased the sensitivity by reducing analyte signal division between multiple reducing-end-forms or cation adducts. On-line separations were improved by using extended length graphitized carbon columns and adding TFA as an acid modifier to a formic acid/reversed phase gradient which provides additional resolving power and significantly improved desorption of both large and heavily sialylated glycans. To improve MS sensitivity and provide gentler ionization conditions at the source-MS interface, subambient pressure ionization with nanoelectrospray (SPIN) has been utilized. When method improvements are combined together with the Glycomics Quintavariate Informed Quantification (GlyQ-IQ) recently described1 these technologies demonstrate the ability to significantly extend glycan detection sensitivity and provide expanded glycan coverage. We demonstrate application of these advances in the context of the human serum glycome, and for which our initial observations include detection of a new class of heavily sialylated N-glycans, including polysialylated N-glycans.

  1. Hydrothermal Liquefaction Oil and Hydrotreated Product from Pine Feedstock Characterized by Heteronuclear Two-Dimensional NMR Spectroscopy and FT-ICR Mass Spectrometry

    SciTech Connect (OSTI)

    Sudasinghe, Nilusha; Cort, John R.; Hallen, Richard T.; Olarte, Mariefel V.; Schmidt, Andrew J.; Schaub, Tanner

    2014-12-01

    Hydrothermal liquefaction (HTL) crude oil and hydrotreated product from pine tree farm waste (forest product residual, FPR) have been analyzed by direct infusion electrospray ionization Fourier transform ion cyclotron resonance mass spectrometry (ESI FT-ICR MS) in both positive- and negative-ionization modes and high-resolution twodimensional heteronuclear 1H-13C NMR spectroscopy. FT-ICR MS resolves thousands of compounds in complex oils and provides unparalleled compositional details for individual molecules for identification of compound class (heteroatom content), type (number of rings plus double bonds to carbon or double bond equivalents (DBE) and carbon number (degree of alkylation). Heteronuclear 1H-13C NMR spectroscopy provides one-bond and multiple-bond correlations between pairs of 1H and 13C chemical shifts that are characteristic of different organic functional groups. Taken together this information provides a picture of the chemical composition of these oils. Pyrolysis crude oil product from pine wood was characterized for comparison. Generally, pyrolysis oil is comprised of a more diverse distribution of heteroatom classes with higher oxygen number relative to HTL oil as shown by both positive- and negative-ion ESI FT-ICR MS. A total of 300 N1, 594 O1 and 267 O2 compounds were observed as products of hydrotreatment. The relative abundance of N1O1, N1O2, N1O3, N2, N2O1, N2O2 and O3 compounds are reduced to different degrees after hydrotreatment and other higher heteroatom containing species (O4-O10, N1O4, N1O5 and N2O3) are completely removed by hydrotreatment.

  2. Tile-Based Fisher-Ratio Software for Improved Feature Selection Analysis of Comprehensive Two-Dimensional Gas Chromatography Time-of-Flight Mass Spectrometry Data

    SciTech Connect (OSTI)

    Marney, Luke C.; Siegler, William C.; Parsons, Brendon A.; Hoggard, Jamin C.; Wright, Bob W.; Synovec, Robert E.

    2013-10-15

    Two-dimensional (2D) gas chromatography coupled with time-of-flight mass spectrometry (GC × GC – TOFMS) is a highly capable instrumental platform that produces complex and information-rich multi-dimensional chemical data. The complex data can be overwhelming, especially when many samples (of various sample classes) are analyzed with multiple injections for each sample. Thus, the data must be analyzed in such a way to extract the most meaningful information. The pixel-based and peak table-based algorithmic use of Fisher ratios has been used successfully in the past to reduce the multi-dimensional data down to those chemical compounds that are changing between classes relative to those that are not (i.e., chemical feature selection). We report on the initial development of a computationally fast novel tile-based Fisher-ratio software that addresses challenges due to 2D retention time misalignment without explicitly aligning the data, which is a problem for both pixel-based and peak table- based methods. Concurrently, the tile-based Fisher-ratio software maximizes the sensitivity contrast of true positives against a background of potential false positives and noise. To study this software, eight compounds, plus one internal standard, were spiked into diesel at various concentrations. The tile-based F-ratio software was able to discover all spiked analytes, within the complex diesel sample matrix with thousands of potential false positives, in each possible concentration comparison, even at the lowest absolute spiked analyte concentration ratio of 1.06.

  3. Rapid and sensitive gas chromatography ion-trap mass spectrometry method for the determination of tobacco specific N-nitrosamines in secondhand smoke

    SciTech Connect (OSTI)

    SLEIMAN, Mohamad; MADDALENA, Randy L.; GUNDEL, Lara A.; DESTAILLATS, Hugo

    2009-07-01

    Tobacco-specific nitrosamines (TSNAs) are some of the most potent carcinogens in tobacco and cigarette smoke. Accurate quantification of these chemicals is needed to help assess public health risks. We developed and validated a specific and sensitive method to measure four TSNAs in both the gas- and particle-phase of secondhand smoke (SHS) using gas chromatography and ion-trap tandem mass spectrometry,. A smoking machine in an 18-m3 room-sized chamber generated relevant concentrations of SHS that were actively sampled on Teflon coated fiber glass (TCFG) filters, and passively sampled on cellulose substrates. A simple solid-liquid extraction protocol using methanol as solvent was successfully applied to both filters with high recoveries ranging from 85 to 115percent. Tandem MS parameters were optimized to obtain the best sensitivity in terms of signal to-noise ratio (S/N) for the target compounds. For each TSNA, the major fragmentation pathways as well as ion structures were elucidated and compared with previously published data. The method showed excellent performances with a linear dynamic range between 2 and 1000 ng mL-1, low detection limits (S/N> 3) of 30-300 pg.ml-1 and precision with experimental errors below 10percent for all compounds. Moreover, no interfering peaks were observed indicating a high selectivity of MS/MS without the need for a sample clean up step. The sampling and analysis method provides a sensitive and accurate tool to detect and quantify traces of TSNA in SHS polluted indoor environments.

  4. Quantification of absorption, retention and elimination of two different oral doses of vitamin A in Zambian boys using accelerator mass spectrometry

    SciTech Connect (OSTI)

    Aklamati, E K; Mulenga, M; Dueker, S R; Buchholz, B A; Peerson, J M; Kafwembe, E; Brown, K H; Haskell, M J

    2009-10-12

    A recent survey indicated that high-dose vitamin A supplements (HD-VAS) had no apparent effect on vitamin A (VA) status of Zambian children <5 y of age. To explore possible reasons for the lack of response to HD-VAS among Zambian children, we quantified the absorption, retention, and urinary elimination of either a single HDVAS (60 mg) or a smaller dose of stable isotope (SI)-labeled VA (5 mg), which was used to estimate VA pool size, in 3-4 y old Zambian boys (n = 4 for each VA dose). A 25 nCi tracer dose of [{sup 14}C{sub 2}]-labeled VA was co-administered with the HD-VAS or SI-labeled VA, and 24-hr stool and urine samples were collected for 3 and 7 consecutive days, respectively, and 24-hr urine samples at 4 later time points. Accelerator Mass Spectrometry (AMS) was used to measure the cumulative excretion of {sup 14}C in stool and urine 3d after dosing to estimate, respectively, absorption and retention of the VAS and SI-labeled VA. The urinary elimination rate (UER) was estimated by plotting {sup 14}C in urine vs. time, and fitting an exponential equation to the data. Estimates of mean absorption, retention and the UER were 83.8 {+-} 7.1%, 76.3 {+-} 6.7%, and 1.9 {+-} 0.6%/d, respectively, for the HD-VAS and 76.5 {+-} 9.5%, 71.1 {+-} 9.4%, and 1.8 {+-} 1.2%/d, respectively for the smaller dose of SI-labeled VA. Estimates of absorption, retention and the UER did not differ by size of the VA dose administered (P=0.26, 0.40, 0.88, respectively). Estimated absorption and retention were negatively associated with reported fever (P=0.011) and malaria (P =0.010). HD-VAS and SI-labeled VA were adequately absorbed, retained and utilized in apparently healthy Zambian preschool-age boys, although absorption and retention may be affected by recent infections.

  5. Correlations in the chemical composition of rural background atmospheric aerosol in the UK determined in real time using time-of-flight mass spectrometry 

    E-Print Network [OSTI]

    Beddows, David C S; Donovan, Robert J; Harrison, Roy M; Heal, Mathew R; Kinnersley, Robert P; King, Martin; Nicholson, David; Thompson, Katherine

    2004-01-01

    polluted air mass that had passed over the British mainland before reaching Eskdalemuir, interposed between two cleaner air masses that had arrived directly from the sea. Such changes in the background aerosol could clearly be very important to studies...

  6. Airfoil sampling of a pulsed Laval beam with tunable vacuum ultraviolet (VUV) synchrotron ionization quadrupole mass spectrometry: Application to low--temperature kinetics and product detection

    E-Print Network [OSTI]

    Soorkia, Satchin

    2012-01-01

    Condensable gases such as 1,3-butadiene are kept in a coldacetylene (99.6%), and 1,3- butadiene (99% Sigma Aldrich).a) C 4 H 6 ion signal (1 % 1,3-butadiene in N 2 carrier gas)

  7. Airfoil sampling of a pulsed Laval beam with tunable vacuum ultraviolet (VUV) synchrotron ionization quadrupole mass spectrometry: Application to low--temperature kinetics and product detection

    E-Print Network [OSTI]

    Soorkia, Satchin

    2012-01-01

    Condensable gases such as 1,3-butadiene are kept in a coldacetylene (99.6%), and 1,3- butadiene (99% Sigma Aldrich).6 ion signal (1 % 1,3-butadiene in N 2 carrier gas) obtained

  8. Use of Electrodeposition for Sample Preparation and Rejection Rate Prediction for Assay of Electroformed Ultra High Purity Copper for 232Th and 238U Prior to Inductively Coupled Plasma Mass Spectrometry (ICP/MS)

    SciTech Connect (OSTI)

    Hoppe, Eric W.; Aalseth, Craig E.; Brodzinski, Ronald L.; Day, Anthony R.; Farmer, Orville T.; Hossbach, Todd W.; McIntyre, Justin I.; Miley, Harry S.; Mintzer, Esther E.; Seifert, Allen; Smart, John E.; Warren, Glen A.

    2008-07-01

    The search for neutrinoless double beta decay in 76Ge has driven the need for ultra-low background Ge detectors shielded by electroformed copper of ultra-high radiopurity (<0.1µBq/kg). Although electrodeposition processes are almost sophisticated enough to produce copper of this purity, to date there are no methods sensitive enough to assay it. Inductively-coupled plasma mass spectrometry (ICP/MS) can detect thorium and uranium at femtogram levels, but in the past, this assay has been hindered by high copper concentrations in the sample. Electrodeposition of copper samples removes copper from the solution while selectively concentrating thorium and uranium contaminants to be assayed by ICP/MS. Spiking 232Th and 238U into the plating bath simulates low purity copper and allows for the calculation of the electrochemical rejection rate of thorium and uranium in the electroplating system. This rejection value will help to model plating bath chemistry.

  9. Correlation of rocket propulsion fuel properties with chemical composition using comprehensive two-dimensional gas chromatography with time-of-flight mass spectrometry followed by partial least squares regression analysis

    SciTech Connect (OSTI)

    Kehimkar, Benjamin; Hoggard, Jamin C.; Marney, Luke C.; Billingsley, Matthew; Fraga, Carlos G.; Bruno, Thomas J.; Synovec, Robert E.

    2014-01-31

    There is an increased need to more fully assess and control the composition of kerosene based rocket propulsion fuels, namely RP-1 and RP-2. In particular, it is crucial to be able to make better quantitative connections between the following three attributes: (a) fuel performance, (b) fuel properties (flash point, density, kinematic viscosity, net heat of combustion, hydrogen content, etc) and (c) the chemical composition of a given fuel (i.e., specific chemical compounds and compound classes present as a result of feedstock blending and processing). Indeed, recent efforts in predicting fuel performance through modeling put greater emphasis on detailed and accurate fuel properties and fuel compositional information. In this regard, advanced distillation curve (ADC) metrology provides improved data relative to classical boiling point and volatility curve techniques. Using ADC metrology, data obtained from RP-1 and RP-2 fuels provides compositional variation information that is directly relevant to predictive modeling of fuel performance. Often, in such studies, one-dimensional gas chromatography (GC) combined with mass spectrometry (MS) is typically employed to provide chemical composition information. Building on approaches using GC-MS, but to glean substantially more chemical composition information from these complex fuels, we have recently studied the use of comprehensive two dimensional gas chromatography combined with time-of-flight mass spectrometry (GC × GC - TOFMS) to provide chemical composition data that is significantly richer than that provided by GC-MS methods. In this report, by applying multivariate data analysis techniques, referred to as chemometrics, we are able to readily model (correlate) the chemical compositional information from RP-1 and RP-2 fuels provided using GC × GC - TOFMS, to the fuel property information such as that provided by the ADC method and other specification properties. We anticipate that this new chemical analysis strategy will have broad implications for the development of high fidelity composition-property models, leading to an optimized approach to fuel formulation and specification for advanced engine cycles.

  10. Mexico City Aerosol Analysis During Milagro Using High Resolution Aerosol Mass Spectrometry at the Urban Supersite (T0) - Part 1: Fine Particle Composition and Organic Source Apportionment.

    E-Print Network [OSTI]

    Aiken, A. C.

    Submicron aerosol was analyzed during the MILAGRO field campaign in March 2006 at the T0 urban supersite in Mexico City with a High-Resolution Aerosol Mass Spectrometer (AMS) and complementary instrumentation. Positive ...

  11. Penning-trap mass spectrometry of highly charged, neutron-rich Rb and Sr isotopes in the vicinity of $A\\approx100$

    E-Print Network [OSTI]

    V. V. Simon; T. Brunner; U. Chowdhury; B. Eberhardt; S. Ettenauer; A. T. Gallant; E. Mané; M. C. Simon; P. Delheij; M. R. Pearson; G. Audi; G. Gwinner; D. Lunney; H. Schatz; J. Dilling

    2012-05-29

    The neutron-rich mass region around $A\\approx100$ presents challenges for modeling the astrophysical $r$-process because of rapid shape transitions. We report on mass measurements using the TITAN Penning trap at TRIUMF-ISAC to attain more reliable theoretical predictions of $r$-process nucleosynthesis paths in this region. A new approach using highly charged ($q=15+$) ions has been applied which considerably saves measurement time and preserves accuracy. New mass measurements of neutron-rich $^{94,97,98}$Rb and $^{94,97-99}$Sr have uncertainties of less than 4 keV and show deviations of up to 11$\\sigma$ to previous measurements. An analysis using a parameterized $r$-process model is performed and shows that mass uncertainties for the A=90 abundance region are eliminated.

  12. Novel two-step laser ablation and ionization mass spectrometry (2S-LAIMS) of actor-spectator ice layers: Probing chemical composition of D{sub 2}O ice beneath a H{sub 2}O ice layer

    SciTech Connect (OSTI)

    Yang, Rui Gudipati, Murthy S.

    2014-03-14

    In this work, we report for the first time successful analysis of organic aromatic analytes imbedded in D{sub 2}O ices by novel infrared (IR) laser ablation of a layered non-absorbing D{sub 2}O ice (spectator) containing the analytes and an ablation-active IR-absorbing H{sub 2}O ice layer (actor) without the analyte. With these studies we have opened up a new method for the in situ analysis of solids containing analytes when covered with an IR laser-absorbing layer that can be resonantly ablated. This soft ejection method takes advantage of the tenability of two-step infrared laser ablation and ultraviolet laser ionization mass spectrometry, previously demonstrated in this lab to study chemical reactions of polycyclic aromatic hydrocarbons (PAHs) in cryogenic ices. The IR laser pulse tuned to resonantly excite only the upper H{sub 2}O ice layer (actor) generates a shockwave upon impact. This shockwave penetrates the lower analyte-containing D{sub 2}O ice layer (spectator, a non-absorbing ice that cannot be ablated directly with the wavelength of the IR laser employed) and is reflected back, ejecting the contents of the D{sub 2}O layer into the vacuum where they are intersected by a UV laser for ionization and detection by a time-of-flight mass spectrometer. Thus, energy is transmitted from the laser-absorbing actor layer into the non-absorbing spectator layer resulting its ablation. We found that isotope cross-contamination between layers was negligible. We also did not see any evidence for thermal or collisional chemistry of PAH molecules with H{sub 2}O molecules in the shockwave. We call this “shockwave mediated surface resonance enhanced subsurface ablation” technique as “two-step laser ablation and ionization mass spectrometry of actor-spectator ice layers.” This method has its roots in the well-established MALDI (matrix assisted laser desorption and ionization) method. Our method offers more flexibility to optimize both the processes—ablation and ionization. This new technique can thus be potentially employed to undertake in situ analysis of materials imbedded in diverse media, such as cryogenic ices, biological samples, tissues, minerals, etc., by covered with an IR-absorbing laser ablation medium and study the chemical composition and reaction pathways of the analyte in its natural surroundings.

  13. Compact hydrogen/helium isotope mass spectrometer

    DOE Patents [OSTI]

    Funsten, Herbert O. (Los Alamos, NM); McComas, David J. (Los Alamos, NM); Scime, Earl E. (Morgantown, WV)

    1996-01-01

    The compact hydrogen and helium isotope mass spectrometer of the present invention combines low mass-resolution ion mass spectrometry and beam-foil interaction technology to unambiguously detect and quantify deuterium (D), tritium (T), hydrogen molecule (H.sub.2, HD, D.sub.2, HT, DT, and T.sub.2), .sup.3 He, and .sup.4 He concentrations and concentration variations. The spectrometer provides real-time, high sensitivity, and high accuracy measurements. Currently, no fieldable D or molecular speciation detectors exist. Furthermore, the present spectrometer has a significant advantage over traditional T detectors: no confusion of the measurements by other beta-emitters, and complete separation of atomic and molecular species of equivalent atomic mass (e.g., HD and .sup.3 He).

  14. Characterization of submicron particles influenced by mixed biogenic and anthropogenic emissions using high-resolution aerosol mass spectrometry: results from CARES

    SciTech Connect (OSTI)

    Setyan, Ari; Zhang, Qi; Merkel, M.; Knighton, Walter B.; Sun, Y.; Song, Chen; Shilling, John E.; Onasch, Timothy B.; Herndon, Scott C.; Worsnop, Douglas R.; Fast, Jerome D.; Zaveri, Rahul A.; Berg, Larry K.; Wiedensohler, A.; Flowers, B. A.; Dubey, Manvendra K.; Subramanian, R.

    2012-09-11

    The Carbonaceous Aerosols and Radiative Effects Study (CARES) took place in the Sacramento Valley of California in summer 2010. We present results obtained at Cool, CA, the T1 site of the project ({approx}40 km downwind of urban emissions from Sacramento), where we deployed an Aerodyne high resolution time-of-flight aerosol mass spectrometer (HR-ToF-AMS) in parallel with complementary instrumentation to characterize the sources and processes of submicron particles (PM1). Cool is located at the foothill of the Sierra Nevada Mountains, where intense biogenic emissions are periodically mixed with urban outflow transported by daytime southwesterly winds from the Sacramento metropolitan area. The particle mass loading was low (3.0 {micro}gm{sup -3} on average) and dominated by organics (80% of the PM1 mass) followed by sulfate (9.9 %). Organics and sulfate appeared to be externally mixed, as suggested by their different time series (r2 = 0.13) and size distributions. Sulfate showed a bimodal distribution with a droplet mode peaking at {approx}400nm in vacuum aerodynamic diameter (Dva), and a condensation mode at {approx}150 nm, while organics generally displayed a broad distribution in 60-600nm (Dva). New particle formation and growth events were observed almost every day, emphasizing the roles of organics and sulfate in new particle growth, especially that of organics. The organic aerosol (OA) had a nominal formula of C{sub 1}H{sub 1.38}N{sub 0.004}O{sub 0.44}, thus an average organic mass-to-carbon (OM/OC) ratio of 1.70. Two different oxygenated OA (OOA, 90% of total OA mass) and a hydrocarbon-like OA (HOA, 10 %) were identified by Positive matrix factorization (PMF) of the high resolution mass spectra. The more oxidized MO-OOA (O/C = 0.54) corresponded to secondary OA (SOA) primarily influenced by biogenic emissions, while the less oxidized LO-OOA (O/C = 0.42) corresponded to SOA associated with urban transport. The HOA factor corresponded to primary emissions mainly due to local traffic. Twenty three periods of urban plumes from T0 (Sacramento) to T1 (Cool) were identified using the Weather Research and Forecasting model coupled with Chemistry (WRF-Chem). The average PM1 mass loading was much higher in urban plumes (3.9 {micro}gm{sup -3}) than in air masses dominated by biogenic SOA (1.8 {micro}gm{sup -3}). The change in OA mass relative to CO ({Delta}OA/{Delta}CO) varied in the range of 5-196 {micro}gm{sup -3} ppm{sup -1}, reflecting large variability in SOA production. The highest {Delta}OA/{Delta}CO were reached when urban plumes arrived at Cool in the presence of a high concentration of biogenic volatile organic compounds (BVOCs=isoprene+monoterpenes+2-methyl-3-buten-2- ol [MBO]+methyl chavicol). This ratio, which was 77 {micro}gm{sup -3} ppm{sup -1} on average when BVOCs > 2 ppb, is much higher than when urban plumes arrived in a low biogenic VOCs environment (28 {micro}gm{sup -3} ppm{sup -1} when BVOCs < 0.7 ppb) or during other periods dominated by biogenic SOA (40 {micro}gm{sup -3} ppm{sup -1}). The results from this study demon10 strate that SOA formation is enhanced when anthropogenic emissions interact with biogenic precursors.

  15. Impurity Profiling of a Chemical Weapon Precursor for Possible Forensic Signatures by Comprehensive Two-Dimensional Gas Chromatography/Mass Spectrometry and Chemometrics

    SciTech Connect (OSTI)

    Hoggard, Jamin C.; Wahl, Jon H.; Synovec, Robert E.; Mong, Gary M.; Fraga, Carlos G.

    2010-01-15

    In this work we present the feasibility of using analytical chemical and chemometric methodologies to reveal and exploit the organic impurity profiles from commercial dimethyl methylphosphonate (DMMP) samples to illustrate the type of forensic information that may be obtained from chemical-attack evidence. Using DMMP as a model compound for a toxicant that may be used in a chemical attack, we used comprehensive two-dimensional gas chromatography mass spectrometric detection (GC × GC-TOFMS) to detect and identify trace organic impurities in six samples of commercially acquired DMMP. The GC x GC-TOFMS data were analyzed to produce impurity profiles for all six DMMP samples using 29 analyte impurities. The use of PARAFAC for the mathematical resolution of overlap GC x GC peaks ensured clean spectra for the identification of many of the detected analytes by spectral library matching. The use of statistical pairwise comparison revealed that there were trace impurities that were quantitatively similar and different among five of the six DMMP samples. Two of the DMMP samples were revealed to have identical impurity profiles by this approach. The use of nonnegative matrix factorization proved that there were five distinct DMMP sample types as illustrated by the clustering of the multiple DMMP analyses into 5 distinct clusters in the scores plots. The two indistinguishable DMMP samples were confirmed by their chemical supplier to be from the same bulk source. Sample information from the other chemical suppliers supported that the other five DMMP samples were likely from different bulk sources. These results demonstrate that the matching of synthesized products from the same source is possible using impurity profiling. In addition, the identified impurities common to all six DMMP samples provide strong evidence that basic route information can be obtained from impurity profiles. In addition, impurities that may be unique to the sole bulk manufacturer of DMMP were found in some of the DMMP samples.

  16. Molecular beam-thermal hydrogen desorption from palladium

    SciTech Connect (OSTI)

    Lobo, R. F. M.; Berardo, F. M. V.; Ribeiro, J. H. F.

    2010-04-15

    Among the most efficient techniques for hydrogen desorption monitoring, thermal desorption mass spectrometry is a very sensitive one, but in certain cases can give rise to uptake misleading results due to residual hydrogen partial pressure background variations. In this work one develops a novel thermal desorption variant based on the effusive molecular beam technique that represents a significant improvement in the accurate determination of hydrogen mass absorbed on a solid sample. The enhancement in the signal-to-noise ratio for trace hydrogen is on the order of 20%, and no previous calibration with a chemical standard is required. The kinetic information obtained from the hydrogen desorption mass spectra (at a constant heating rate of 1 deg. C/min) accounts for the consistency of the technique.

  17. Interface and process for enhanced transmission of non-circular ion beams between stages at unequal pressure

    DOE Patents [OSTI]

    Tang, Keqi (Richland, WA); Shvartsburg, Alexandre A. (Richland, WA); Smith, Richard D. (Richland, WA)

    2008-03-04

    The invention discloses a new interface with non-circular conductance limit aperture(s) useful for effective transmission of non-circular ion beams between stages with different gas pressure. In particular, the invention provides an improved coupling of field asymmetric waveform ion mobility spectrometry (FAIMS) analyzers of planar or side-to-side geometry to downstream stages such as mass spectrometry or ion mobility spectrometry. In this case, the non-circular aperture is rectangular; other geometries may be optimum in other applications. In the preferred embodiment, the non-circular aperture interface is followed by an electrodynamic ion funnel that may focus wide ion beams of any shape into tight circular beams with virtually no losses. The jet disrupter element of the funnel may also have a non-circular geometry, matching the shape of arriving ion beam. The improved sensitivity of planar FAIMS/MS has been demonstrated in experiments using a non-contiguous elongated aperture but other embodiments (e.g., with a contiguous slit aperture) may be preferable, especially in conjunction with an ion funnel operated at high pressures.

  18. Nanometer scale elemental analysis in the helium ion microscope using time of flight spectrometry

    E-Print Network [OSTI]

    Klingner, Nico; Hlawacek, Gregor; von Borany, Johannes; Notte, John; Huang, Jason; Facsko, Stefan

    2015-01-01

    Time of flight Rutherford backscattering spectrometry (ToF-RBS) was successfully implemented in a helium ion microscope (HIM). Its integration introduces the ability to perform laterally resolved elemental analysis as well as elemental depth profiling on the nm scale. A lateral resolution of $\\leq$ 54 nm and an energy resolution of $\\Delta E \\leq$ 1.5 keV $(\\Delta E/E=5.4\\%)$ are achieved. By using the energy of the backscattered particles for contrast generation, we introduce a new imaging method to the HIM allowing direct elemental mapping as well as local spectrometry. In addition laterally resolved time of flight secondary ion mass spectrometry (ToF-SIMS) can be performed with the same setup. Time of flight is implemented by pulsing the primary ion beam. This is achieved in a cost effective and minimal invasive way that does not influence the high resolution capabilities of the microscope when operating in standard secondary electron (SE) imaging mode. This technique can thus be easily adapted to existing...

  19. Improvements to Laser Ablation-Inductively Coupled Plasma-Mass...

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    to Laser Ablation-Inductively Coupled Plasma-Mass Spectrometry for Quantitative Analysis using Short Pulse UV Laser DESCRIPTION: Laser ablation inductively coupled plasma-mass...

  20. Universal collisional activation ion trap mass spectrometry

    DOE Patents [OSTI]

    McLuckey, Scott A. (Oak Ridge, TN); Goeringer, Douglas E. (Oak Ridge, TN); Glish, Gary L. (Oak Ridge, TN)

    1993-01-01

    A universal collisional activation ion trap comprises an ion trapping means containing a bath gas and having connected thereto a noise signal generator. A method of operating a universal collisional activation ion trap comprises the steps of: providing an ion trapping means; introducing into the ion trapping means a bath gas; and, generating a noise signal within the ion trapping means; introducing into the ion trapping means a substance that, when acted upon by the noise signal, undergoes collisional activation to form product ions.

  1. Signatures for Mass Spectrometry Data Quality

    SciTech Connect (OSTI)

    Amidan, Brett G.; Orton, Daniel J.; Lamarche, Brian L.; Monroe, Matthew E.; Moore, Ronald J.; Venzin, Alexander M.; Smith, Richard D.; Sego, Landon H.; Tardiff, Mark F.; Payne, Samuel H.

    2014-03-10

    Ensuring data quality and proper instrument functionality is a prerequisite for scientific investigation. Manual validation for quality assurance is time consuming, expensive and subjective. Metrics for describing various features of LC-MS data have been developed to assist operators in discriminating poor (out of control) and good (in control) datasets. However, the wide variety of instrument specifications and LC-MS configurations precludes applying a simple range of acceptable values or cutoffs for such metrics. We explored a variety of statistical modeling approaches to predict the quality of LC-MS data. Using 1164 manually classified quality control (QC) LC-MS datasets, we fit logistic regression classification models to the QC data to predict whether a dataset is in or out of control. Model parameters were optimized by minimizing a loss function that accounts for the tradeoff between false positive and false negative errors. The optimal logistic regression classifier models detected bad data sets with high sensitivity (i.e. low false negative rate) while maintaining high specificity (i.e. controlling the false positive rate). As an example, predictions for Velos-Orbitrap instrumentation data had a sensitivity of 93.7% in detecting out of control datasets with a false positive rate of 8.3%. In comparison, we investigated the performance of several single metrics in predicting dataset quality. While maintaining a sensitivity of 93.7%, the corresponding false positive rates for these single-metric models unacceptably ranged from 32% to 97.7%. Finally, we evaluated the performance of the

  2. Universal collisional activation ion trap mass spectrometry

    DOE Patents [OSTI]

    McLuckey, S.A.; Goeringer, D.E.; Glish, G.L.

    1993-04-27

    A universal collisional activation ion trap comprises an ion trapping means containing a bath gas and having connected thereto a noise signal generator. A method of operating a universal collisional activation ion trap comprises the steps of: providing an ion trapping means; introducing into the ion trapping means a bath gas; and, generating a noise signal within the ion trapping means; introducing into the ion trapping means a substance that, when acted upon by the noise signal, undergoes collisional activation to form product ions.

  3. Multinozzle Emitter Arrays for Nanoelectrospray Mass Spectrometry

    E-Print Network [OSTI]

    Mao, Pan

    2012-01-01

    polytetrafluoroethylene (PTFE) tubing whose outer diameter (directed through a connecting PTFE tubing (i.d. ~ 75 ?m,silica capillaries via the PTFE tubing. (c), (d) SEM images

  4. Mapping Molecular Space with Mass Spectrometry /

    E-Print Network [OSTI]

    Nguyen, Don Duy

    2013-01-01

    L & Oliveira AC (2009) Microalgae as a raw material forP (2010) Biofuels from microalgae—A review of technologiesThe tide turns towards microalgae. Current research aims to

  5. High performance ²?²Cf plasma desorption mass spectrometry 

    E-Print Network [OSTI]

    McIntire, Thomas Shane

    1991-01-01

    spectmmeter that was designed around the central idea of an increased acceptance angle for fission fragments emitted by the 'Cf source. Use of the oblique angle fission fragments increased the flux of primary ions through the sample. More importantly... detector eliminated the need for a separate conversion foil and made use of the conversion electrons created as fission fragments passed through the cover foil of the ~'Cf source. This essentially eliminated the effect of the velocity distribution...

  6. MASS SPECTROMETRY WITH A VERY SMALL CYCLOTRON

    E-Print Network [OSTI]

    Muller, R.A.

    2010-01-01

    1977). 3. J.A. Hippie, H. Sommer, and H.A. Thomas, Phys.resolution. "Omegatron" of Sommer, Thomas, and Hippie Smith

  7. Author's personal copy Ambient mass spectrometry

    E-Print Network [OSTI]

    Vertes, Akos

    vacuum- based and atmospheric pressure (AP) ion sources to the forefront of MS bioanalysis, and propelled translated sampling and ion generation from vacuum to AP while eliminating or Peter Nemes* Division of Chemistry and Materials Science, Office of Science and Engineering Laboratories, Food and Drug

  8. CAMS Center for Accelerator Mass Spectrometry

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    AFDC Printable Version Share this resource Send a link to EERE: Alternative Fuels Data Center Home Page to someone by E-mail Share EERE: Alternative Fuels Data Center Home Page on Facebook Tweet about EERE: Alternative Fuels Data Center Home Page on Twitter Bookmark EERE: Alternative Fuels Data Center Homesum_a_epg0_fpd_mmcf_m.xls" ,"Available from WebQuantity of NaturalDukeWakefieldSulfateSciTechtail.Theory of rare Kaonforsupernovae modelsearch this siteSearchA Nanoscale Look

  9. Nuclear Masses in Astrophysics

    E-Print Network [OSTI]

    Christine Weber; Klaus Blaum; Hendrik Schatz

    2008-12-09

    Among all nuclear ground-state properties, atomic masses are highly specific for each particular combination of N and Z and the data obtained apply to a variety of physics topics. One of the most crucial questions to be addressed in mass spectrometry of unstable radionuclides is the one of understanding the processes of element formation in the Universe. To this end, accurate atomic mass values of a large number of exotic nuclei participating in nucleosynthesis are among the key input data in large-scale reaction network calculations. In this paper, a review on the latest achievements in mass spectrometry for nuclear astrophysics is given.

  10. Study of runaway electrons with Hard X-ray spectrometry of tokamak plasmas

    SciTech Connect (OSTI)

    Shevelev, A.; Chugunov, I.; Khilkevitch, E.; Gin, D.; Doinikov, D.; Naidenov, V. [Ioffe Physical-Technical Institute of the Russian Academy of Sciences, Polytechnicheskaya 26, St. Petersburg, 194021 (Russian Federation); Kiptily, V. [EURATOM / CCFE Fusion Association, Abingdon, OX14 3DB (United Kingdom); Plyusnin, V. [Instituto de Plasmas e Fusão Nuclear, Associação EURATOM-IST, Instituto Superior Tecnico, Universidade Tecnica de Lisboa, Av. Rovisco Pais, 1049-001 Lisboa (Portugal); Collaboration: EFDA-JET Contributors

    2014-08-21

    Hard-X-ray spectrometry is a tool widely used for diagnostic of runaway electrons in existing tokamaks. In future machines, ITER and DEMO, HXR spectrometry will be useful providing information on runaway electron energy, runaway beam current and its profile during disruption.

  11. JOURNAL OF MASS SPECTROMETRY J. Mass Spectrom. 2008; 43: 10531062

    E-Print Network [OSTI]

    Hammock, Bruce D.

    of dioxin analogs contain- ing a rigid propenoic acid side chain were synthesized for coupling the hapten-(3,7,8-trichlorodibenzo-p- dioxin-2-yl)propenoate, giving a fragment of m/z 349. A literature search showed that this type

  12. BEAM PROPAGATOR

    Energy Science and Technology Software Center (OSTI)

    003691MLTPL00 Beam Propagator for Weather Radars, Modules 1 and 2  http://www.exelisvis.com/ProductsServices/IDL.aspx 

  13. Improvements to TITAN's Mass Measurement and Decay Spectroscopy Capabilities

    E-Print Network [OSTI]

    D. Lascar; A. A. Kwiatkowski; U. Chowdhury; A. Finlay; A. T. Gallant; M. Good; R. Klawitter; B. Kootte; K. G. Leach; A. Lennarz; E. Leistenschneider; B. E. Schultz; R. Schupp; D. A. Short; C. Andreoiu; J. Dilling; G. Gwinner

    2015-08-27

    The study of nuclei farther from the valley of $\\beta$-stability goes hand-in-hand with shorter-lived nuclei produced in smaller abundances than their more stable counterparts. The measurement, to high precision, of nuclear masses therefore requires innovations in technique in order to keep up. TRIUMF's Ion Trap for Atomic and Nuclear science (TITAN) facility deploys three ion traps, with a fourth in the commissioning phase, to perform and support Penning trap mass spectrometry and in-trap decay spectroscopy on some of the shortest-lived nuclei ever studied. We report on recent advances and updates to the TITAN facility since the 2012 EMIS Conference. TITAN's charge breeding capabilities have been improved and in-trap decay spectroscopy can be performed in TITAN's electron beam ion trap (EBIT). Higher charge states can improve the precision of mass measurements, reduce the beam-time requirements for a given measurement, improve beam purity and opens the door to access, via in-trap decay and recapture, isotopes not available from the ISOL method. This was recently demonstrated during TITAN's mass measurement of $^{30}$Al. The EBIT's decay spectroscopy setup was commissioned with a successful branching ratio and half-life measurement of $^{124}$Cs. Charge breeding in the EBIT increases the energy spread of the ion bunch sent to the Penning trap for mass measurement so a new Cooler Penning Trap (CPET), which aims to cool highly charge ions with an electron plasma, is undergoing online commissioning. Already, CPET has demonstrated the trapping and self-cooling of a room-temperature electron plasma which was stored for several minutes. A new detector has been installed inside the CPET magnetic field which will allow for in-magnet charged particle detection.

  14. Laser Desorption Single-Photon Ionization of Asphaltenes: Mass Range, Compound Sensitivity, and Matrix Effects

    E-Print Network [OSTI]

    Zare, Richard N.

    Laser Desorption Single-Photon Ionization of Asphaltenes: Mass Range, Compound Sensitivity and flow assurance. Laser desorption single-photon ionization mass spectrometry (LDSPI-MS) has emerged, such as their molecular mass distribution and dominant molecular architecture.1,6-11 Laser mass spectrometry, including

  15. Microchip and wedge ion funnels and planar ion beam analyzers using same

    DOE Patents [OSTI]

    Shvartsburg, Alexandre A; Anderson, Gordon A; Smith, Richard D

    2012-10-30

    Electrodynamic ion funnels confine, guide, or focus ions in gases using the Dehmelt potential of oscillatory electric field. New funnel designs operating at or close to atmospheric gas pressure are described. Effective ion focusing at such pressures is enabled by fields of extreme amplitude and frequency, allowed in microscopic gaps that have much higher electrical breakdown thresholds in any gas than the macroscopic gaps of present funnels. The new microscopic-gap funnels are useful for interfacing atmospheric-pressure ionization sources to mass spectrometry (MS) and ion mobility separation (IMS) stages including differential IMS or FAIMS, as well as IMS and MS stages in various configurations. In particular, "wedge" funnels comprising two planar surfaces positioned at an angle and wedge funnel traps derived therefrom can compress ion beams in one dimension, producing narrow belt-shaped beams and laterally elongated cuboid packets. This beam profile reduces the ion density and thus space-charge effects, mitigating the adverse impact thereof on the resolving power, measurement accuracy, and dynamic range of MS and IMS analyzers, while a greater overlap with coplanar light or particle beams can benefit spectroscopic methods.

  16. X-ray spectrometry

    SciTech Connect (OSTI)

    Markowicz, A.A.; Van Grieken, R.E.

    1986-04-01

    In the period under review, i.e, through 1984 and 1985, some 600 articles on XRS (X-ray spectrometry) were published; most of these have been scanned and the most fundamental ones are discussed. All references will refer to English-language articles, unless states otherwise. Also general books have appeared on quantitative EPXMA (electron-probe X-ray microanalysis) and analytical electron microscopy (AEM) as well as an extensive review on the application of XRS to trace analysis of environmental samples. In the period under review no radically new developments have been seen in XRS. However, significant improvements have been made. Gain in intensities has been achieved by more efficient excitation, higher reflectivity of dispersing media, and better geometry. Better understanding of the physical process of photon- and electron-specimen interactions led to complex but more accurate equations for correction of various interelement effects. Extensive use of micro- and minicomputers now enables fully automatic operation, including qualitative analysis. However, sample preparation and presentation still put a limit to further progress. Although some authors find XRS in the phase of stabilization or even stagnation, further gradual developments are expected, particularly toward more dedicated equipment, advanced automation, and image analysis systems. Ways are outlined in which XRS has been improved in the 2 last years by excitation, detection, instrumental, methodological, and theoretical advances. 340 references.

  17. Beam History

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

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  18. Beam Transport

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    AFDC Printable Version Share this resource Send a link to EERE: Alternative Fuels Data Center Home Page to someone by E-mail Share EERE: Alternative Fuels Data Center Home Page on Facebook Tweet about EERE: Alternative Fuels Data Center Home Page on Twitter Bookmark EERE: Alternative Fuels Data Center Homesum_a_epg0_fpd_mmcf_m.xls" ,"Available from WebQuantity ofkandz-cm11 Outreach Home Room News PublicationsAudits & Inspections AuditsBarbara McClintockSecurityBeam Transport Beam

  19. Beam Status

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    AFDC Printable Version Share this resource Send a link to EERE: Alternative Fuels Data Center Home Page to someone by E-mail Share EERE: Alternative Fuels Data Center Home Page on Facebook Tweet about EERE: Alternative Fuels Data Center Home Page on Twitter Bookmark EERE: Alternative Fuels Data Center Homesum_a_epg0_fpd_mmcf_m.xls" ,"Available from WebQuantity of NaturalDukeWakefieldSulfateSciTechtail.Theory of raregovAboutRecovery ActTools toBadging, Badge OfficeBeam Request ToBeam

  20. Beams 92: Proceedings. Volume 2, Ion beams, electron beams, diagnostics

    SciTech Connect (OSTI)

    Mosher, D.; Cooperstein, G. [eds.] [Naval Research Lab., Washington, DC (United States)] [eds.; Naval Research Lab., Washington, DC (United States)

    1993-12-31

    This report contains papers on the following topics. Ion beam papers; electron beam papers; and these papers have been indexed separately elsewhere.

  1. Center for Beam Physics

    E-Print Network [OSTI]

    Chattopadhyay, S.

    2010-01-01

    UV Laser Ionization and Electron Beam Diagnostics for Plasmaradiation based electron beam diagnostics, fast beamdiagnostic instru- mentation for electron and photon beams

  2. Center for Beam Physics

    E-Print Network [OSTI]

    Chattopadhyay, S.

    2010-01-01

    1231 (1990). "Relativistic Klystron Version of the Two-BeamDesign of a Relativiatic Klystron Two-Beam AcceleratorSource for a Relativistic Klystron Two- Beam Accelerator" (

  3. Mexico city aerosol analysis during MILAGRO using high resolution aerosol mass spectrometry at the urban supersite (T0) - Part 2: Analysis of the biomass burning contribution and the non-fossil carbon fraction

    SciTech Connect (OSTI)

    Aiken, A.C.; Wang, J.; de Foy, B.; Wiedinmyer, C.; DeCarlo, P. F.; Ulbrich, I. M.; Wehrli, M. N.; Szidat, S.; Prevot, A. S. H.; Noda, J.; Wacker, L.; Volkamer, R.; Fortner, E.; Laskin, A.; Shutthanandan, V.; Zheng, J.; Zhang, R.; Paredes-Miranda, G.; Arnott, W. P.; Molina, L. T.; Sosa, G.; Querol, X.; Jimenez, J. L.

    2010-06-16

    Submicron aerosol was analyzed during the MILAGRO field campaign in March 2006 at the T0 urban supersite in Mexico City with a High-Resolution Aerosol Mass Spectrometer (AMS) and complementary instrumentation. Positive Matrix Factorization (PMF) of high resolution AMS spectra identified a biomass burning organic aerosol (BBOA) component, which includes several large plumes that appear to be from forest fires within the region. Here, we show that the AMS BBOA concentration at T0 correlates with fire counts in the vicinity of Mexico City and that most of the BBOA variability is captured when the FLEXPART model is used for the dispersion of fire emissions as estimated from satellite fire counts. The resulting FLEXPART fire impact factor (FIF) correlates well with the observed BBOA, acetonitrile (CH3CN), levoglucosan, and potassium, indicating that wildfires in the region surrounding Mexico City are the dominant source of BBOA at T0 during MILAGRO. The impact of distant BB sources such as the Yucatan is small during this period. All fire tracers are correlated, with BBOA and levoglucosan showing little background, acetonitrile having a well-known tropospheric background of {approx}100-150 pptv, and PM2.5 potassium having a background of {approx}160 ng m3 (two-thirds of its average concentration), which does not appear to be related to BB sources. We define two high fire periods based on satellite fire counts and FLEXPART-predicted FIFs. We then compare these periods with a low fire period when the impact of regional fires is about a factor of 5 smaller. Fire tracers are very elevated in the high fire periods whereas tracers of urban pollution do not change between these periods. Dust is also elevated during the high BB period but this appears to be coincidental due to the drier conditions and not driven by direct dust emission from the fires. The AMS oxygenated organic aerosol (OA) factor (OOA, mostly secondary OA or SOA) does not show an increase during the fire periods or a correlation with fire counts, FLEXPART-predicted FIFs or fire tracers, indicating that it is dominated by urban and/or regional sources and not by the fires near the MCMA. A new 14C aerosol dataset is presented. Both this new and a previously published dataset of 14C analysis suggest a similar BBOA contribution as the AMS and chemical mass balance (CMB), resulting in 13% higher non-fossil carbon during the high vs. low regional fire periods. The new dataset has {approx}15% more fossil carbon on average than the previously published one, and possible reasons for this discrepancy are discussed. During the low regional fire period, 38% of organic carbon (OC) and 28% total carbon (TC) are from non-fossil sources, suggesting the importance of urban and regional non-fossil carbon sources other than the fires, such as food cooking and regional biogenic SOA. The ambient BBOA/CH3CN ratio is much higher in the afternoon when the wildfires are most intense than during the rest of the day. Also, there are large differences in the contributions of the different OA components to the surface concentrations vs. the integrated column amounts. Both facts may explain some apparent disagreements between BB impacts estimated from afternoon aircraft flights vs. those from 24-h ground measurements. We show that by properly accounting for the non-BB sources of K, all of the BB PM estimates from MILAGRO can be reconciled. Overall, the fires from the region near the MCMA are estimated to contribute 15-23% of the OA and 7-9% of the fine PM at T0 during MILAGRO, and 2-3% of the fine PM as an annual average. The 2006 MCMA emissions inventory contains a substantially lower impact of the forest fire emissions, although a fraction of these emissions occur just outside of the MCMA inventory area.

  4. Temperature dependence of ion-beam mixing in crystalline and amorphous germanium isotope multilayer structures

    SciTech Connect (OSTI)

    Radek, M.; Bracht, H., E-mail: bracht@uni-muenster.de [Institute of Materials Physics, Westfälische Wilhelms-Universität Münster, 48149 Münster (Germany); Posselt, M.; Liedke, B.; Schmidt, B. [Institute of Ion Beam Physics and Materials Research, Helmholtz-Zentrum Dresden-Rossendorf, Bautzner Landstraße 400, D-01328 Dresden (Germany); Bougeard, D. [Institut für Experimentelle und Angewandte Physik, 93040 Regensburg (Germany)

    2014-01-14

    Self-atom mixing induced by 310 keV gallium (Ga) ion implantation in crystalline and preamorphized germanium (Ge) at temperatures between 164 K and 623 K and a dose of 1?×?10{sup 15}?cm{sup ?2} is investigated using isotopic multilayer structures of alternating {sup 70}Ge and {sup nat}Ge layers grown by molecular beam epitaxy. The distribution of the implanted Ga atoms and the ion-beam induced depth-dependent self-atom mixing was determined by means of secondary ion mass spectrometry. Three different temperature regimes of self-atom mixing, i.e., low-, intermediate-, and high-temperature regimes are observed. At temperatures up to 423 K, the mixing is independent of the initial structure, whereas at 523?K, the intermixing of the preamorphized Ge structure is about twice as high as that of crystalline Ge. At 623?K, the intermixing of the initially amorphous Ge structure is strongly reduced and approaches the mixing of the crystalline material. The temperature dependence of ion-beam mixing is described by competitive amorphization and recrystallization processes.

  5. CONTINUOUS EXTRACTED BEAM IN THE AGS FAST EXTERNAL BEAM LINE.

    SciTech Connect (OSTI)

    GLENN,J.W.; TSOUPAS,N.; BROWN,K.A.; BIRYUKOV,V.M.

    2001-06-18

    A method to split off a few percent of the 6 x 10{sup 13} AGS beam delivered to the Slow External Beam (SEB) lines and send it down the Fast External Beam line (FEB) has been developed. The mission is to feed a counter experiment off the FEB that directly measures the neutrino mass using the muon storage ring. The use of normal thin septum splitters would have an excessive loss overhead and been optically difficult. The AGS Slow Extraction uses a third integer resonance with sextuple strength so the resonance width is a few percent of the beam width. This results in a low density tail which will be clipped by a bent crystal and deflected into the FEB channel. This clipping off of the tail should reduce losses in the SEB transport line. Details of modeled orbits, particle distribution and extraction trajectories into and out off the crystal will be given.

  6. Center for Beam Physics

    E-Print Network [OSTI]

    Chattopadhyay, S.

    2010-01-01

    Krishnagopal of CAT, Indore, India, we are also developing aon Beam Physics at CAT, Indore, India and Telecourse on Beam

  7. Neutral Beam Excitation

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    AFDC Printable Version Share this resource Send a link to EERE: Alternative Fuels Data Center Home Page to someone by E-mail Share EERE: Alternative Fuels Data Center Home Page on Facebook Tweet about EERE: Alternative Fuels Data Center Home Page on Twitter Bookmark EERE: Alternative Fuels Data Center Homesum_a_epg0_fpd_mmcf_m.xls" ,"Available from WebQuantityBonneville Power Administration wouldMass map shinesSolar Photovoltaic(MillionNature and Origin WhatNetworks,Beam Excitation of

  8. Hooked differential mobility spectrometry apparatus and method therefore

    DOE Patents [OSTI]

    Shvartsburg, Alexandre A [Richland, WA; Tang, Keqi [Richland, WA; Ibrahim, Yehia M [Richland, WA; Smith, Richard D [Richland, WA

    2009-02-17

    Disclosed are a device and method for improved interfacing of differential mobility spectrometry (DMS) or field asymmetric waveform ion mobility spectrometry (FAIMS) analyzers of substantially planar geometry to subsequent or preceding instrument stages. Interfacing is achieved using curved DMS elements, where a thick ion beam emitted by planar DMS analyzers or injected into them for ion filtering is compressed to the gap median by DMS ion focusing effect in a spatially inhomogeneous electric field. Resulting thinner beams are more effectively transmitted through necessarily constrained conductance limit apertures to subsequent instrument stages operated at a pressure lower than DMS, and/or more effectively injected into planar DMS analyzers. The technology is synergetic with slit apertures, slit aperture/ion funnels, and high-pressure ion funnel interfaces known in the art which allow for increasing cross-sectional area of MS inlets. The invention may be used in integrated analytical platforms, including, e.g., DMS/MS, LC/DMS/MS, and DMS/IMS/MS that could replace and/or enhance current LC/MS methods, e.g., for proteomics research.

  9. Beam History

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    AFDC Printable Version Share this resource Send a link to EERE: Alternative Fuels Data Center Home Page to someone by E-mail Share EERE: Alternative Fuels Data Center Home Page on Facebook Tweet about EERE: Alternative Fuels Data Center Home Page on Twitter Bookmark EERE: Alternative Fuels Data Center Homesum_a_epg0_fpd_mmcf_m.xls" ,"Available from WebQuantity ofkandz-cm11 Outreach Home Room News PublicationsAudits & Inspections AuditsBarbara McClintockSecurity ComplexBeam

  10. Beam Schedule

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    AFDC Printable Version Share this resource Send a link to EERE: Alternative Fuels Data Center Home Page to someone by E-mail Share EERE: Alternative Fuels Data Center Home Page on Facebook Tweet about EERE: Alternative Fuels Data Center Home Page on Twitter Bookmark EERE: Alternative Fuels Data Center Homesum_a_epg0_fpd_mmcf_m.xls" ,"Available from WebQuantity of NaturalDukeWakefieldSulfateSciTechtail.Theory of raregovAboutRecovery ActTools toBadging, Badge OfficeBeam Request To

  11. Beam Status

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    AFDC Printable Version Share this resource Send a link to EERE: Alternative Fuels Data Center Home Page to someone by E-mail Share EERE: Alternative Fuels Data Center Home Page on Facebook Tweet about EERE: Alternative Fuels Data Center Home Page on Twitter Bookmark EERE: Alternative Fuels Data Center Homesum_a_epg0_fpd_mmcf_m.xls" ,"Available from WebQuantity of NaturalDukeWakefieldSulfateSciTechtail.Theory of raregovAboutRecovery ActTools toBadging, Badge OfficeBeam Request

  12. Mass spectrometry on bio-renewable fuels | The Ames Laboratory

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    technology, chemical processes involved in the production of bio-oils, and how analytical chemistry can help in developing sustainable technology. ii) They will study...

  13. Mass Spectrometry and Density Functional Theory Characterizations of DNA Modifications

    E-Print Network [OSTI]

    Williams, Renee Therese

    2012-01-01

    intrinsic reaction coordinate (IRC) methods. Energy maximafound, optimization QST IRC R P LST Figure 1.3 Illustrationreaction coordinate (IRC) methods, where R represents the

  14. Mass Spectrometry and Density Functional Theory Characterizations of DNA Modifications

    E-Print Network [OSTI]

    Williams, Renee Therese

    2012-01-01

    Containing 1,2-GpG, 1,2-ApG, and 1,3-GpXpG CisplatinODNs) containing a 1,2-GpG, 1,2-ApG, or 1,3-GpXpG cisplatinODNs containing a 1,2-GpG, 1,2-ApG or 1,3-GpXpG intrastrand

  15. MASS SPECTROMETRY-BASED METABOLOMICS Katja Dettmer,1

    E-Print Network [OSTI]

    Hammock, Bruce D.

    the bibliographic search containing the words metabolomics, metabonomics, and proteo- mics in Chemical Abstracts arrays of metabolites in biological samples. These numerous analytes have very diverse physico-chemical

  16. Computational tools for analysis of mass spectrometry imaging data

    E-Print Network [OSTI]

    Bruand, Jocelyne

    2012-01-01

    Proteome Res. , vol. 10, pp. 4734– 4743, Oct 2011. [83] E.J Proteome Res 10(10):4734-43. Deblasio D, Bruand J, ZhangV. J Proteome Res 10(10): 4734-43. 2011. The dissertation

  17. Algorithms for tandem mass spectrometry-based proteomics

    E-Print Network [OSTI]

    Frank, Ari Michael

    2008-01-01

    4. MS-Clustering Algorithm . . . . . . . . . . C.De Novo Sequencing Algorithm . . . . . . C. Experimental2. The RankBoost Algorithm (Freund et al. , 2003) B.

  18. Deuterium exchange mass spectrometry studies of the phospholipase A? superfamily

    E-Print Network [OSTI]

    Burke, John Edmund

    2008-01-01

    Huang, M. R. Taheri, E. O'Leary, E. Li, M. A. Moskowitz, andHuang, M. R. Taheri, E. O'Leary, E. Li, M. A. Moskowitz, andHuang, M. R. Taheri, E. O'Leary, E. Li, M. A. Moskowitz, and

  19. Isoelectric Trapping and Mass Spectrometry: Tools for Proteomics 

    E-Print Network [OSTI]

    Cologna, Stephanie Marie

    2012-02-14

    Electrolyzer viii IPG Immobilized pH Gradient CID Collision Induced Dissociation ix TABLE OF CONTENTS Page ABSTRACT... ......................................................................................................................... 198 xi LIST OF FIGURES Page Figure 1. General schematic of a typical multicompartment electrolyzer...

  20. Department and Waters Corporation Host Symposium on Biological Mass Spectrometry

    E-Print Network [OSTI]

    Simons, Jack

    are grateful to the ongoing support of Ron and Eileen Ragsdale, as well as so many other friends as a flagship department at the University of Utah. Cynthia J. Burrows Distinguished Professor and Chair ThatcherPresidentialEndowedChairofBiologicalChemistry Dear Chemistry Friends and Families, Support

  1. Plasma desorption mass spectrometry of organics at low temperatures 

    E-Print Network [OSTI]

    Shirey, Eldon Lynn

    1993-01-01

    The desorption/ionization of volatile hydrocarbons by Plasma Desorption (PD) produces a series of molecular ions. Among these are deprotonated molecular ions, which are not usually observed in PD. The H-loss phenomenon was examined as a function...

  2. Investigation of Metalloproteins Utilizing High Resolution Mass Spectrometry 

    E-Print Network [OSTI]

    Wu, Zhaoxiang

    2011-08-08

    Copper ions (Cu?, Cu²?) play important roles in many biological processes (i.e., oxidation, dioxygen transport, and electron transfer); many of the functions in these processes result from copper ions interacting with proteins and peptides. Previous...

  3. Investigating Microbial Metabolites with Novel Mass Spectrometry Tools /

    E-Print Network [OSTI]

    Yang, Jane Youngmi

    2013-01-01

    process of a Bacillus probiotics. Abstracts of the GeneralBacillus has been used as probiotics, 10, 11 in agriculture,

  4. Evaluation of Hypervelocity Gold Nanoparticles for Nanovolume Surface Mass Spectrometry 

    E-Print Network [OSTI]

    DeBord, John 1986-

    2012-08-16

    Impacts of high kinetic energy massive gold clusters (~ 500 keV Au400+4) exhibit significantly enhanced secondary ion yields relative to traditional atomic or polyatomic primary ions (e.g. Au3 and C60). The one-of-a-kind instrument used to generate...

  5. Spatially resolved thermal desorption/ionization coupled with mass spectrometry

    DOE Patents [OSTI]

    Jesse, Stephen; Van Berkel, Gary J; Ovchinnikova, Olga S

    2013-02-26

    A system and method for sub-micron analysis of a chemical composition of a specimen are described. The method includes providing a specimen for evaluation and a thermal desorption probe, thermally desorbing an analyte from a target site of said specimen using the thermally active tip to form a gaseous analyte, ionizing the gaseous analyte to form an ionized analyte, and analyzing a chemical composition of the ionized analyte. The thermally desorbing step can include heating said thermally active tip to above 200.degree. C., and positioning the target site and the thermally active tip such that the heating step forms the gaseous analyte. The thermal desorption probe can include a thermally active tip extending from a cantilever body and an apex of the thermally active tip can have a radius of 250 nm or less.

  6. Automated Surface Sampling Probe for Mass Spectrometry - Energy Innovation

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    AFDC Printable Version Share this resource Send a link to EERE: Alternative Fuels Data Center Home Page to someone by E-mail Share EERE: Alternative Fuels Data Center Home Page on Facebook Tweet about EERE: Alternative Fuels Data Center Home Page on Twitter Bookmark EERE: Alternative Fuels Data Center Homesum_a_epg0_fpd_mmcf_m.xls" ,"Available from WebQuantity ofkandz-cm11 OutreachProductswsicloudwsiclouddenDVA N C E D B L O O DBiomass andAtoms forPARAMETERPortal Advanced Materials

  7. SAMDI Mass Spectrometry for High Throughput Discovery of Enzyme Function |

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    AFDC Printable Version Share this resource Send a link to EERE: Alternative Fuels Data Center Home Page to someone by E-mail Share EERE: Alternative Fuels Data Center Home Page on Facebook Tweet about EERE: Alternative Fuels Data Center Home Page on Twitter Bookmark EERE: Alternative Fuels Data Center Homesum_a_epg0_fpd_mmcf_m.xls" ,"Available from WebQuantityBonneville Power AdministrationRobust, High-Throughput Analysis of Protein StructuresMaintenance /

  8. Giga-Dalton Mass Spectrometry - Energy Innovation Portal

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    AFDC Printable Version Share this resource Send a link to EERE: Alternative Fuels Data Center Home Page to someone by E-mail Share EERE: Alternative Fuels Data Center Home Page on Facebook Tweet about EERE: Alternative Fuels Data Center Home Page on Twitter Bookmark EERE: Alternative Fuels Data Center Homesum_a_epg0_fpd_mmcf_m.xls" ,"Available from WebQuantityBonneville Power Administration would likeUniverse (Journalvivo Low-Dose Low LETUseful Links UsefulPhosphor fortokamaks

  9. Open MSI : a Mass Spectrometry Imaging Science Gateway

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    AFDC Printable Version Share this resource Send a link to EERE: Alternative Fuels Data Center Home Page to someone by E-mail Share EERE: Alternative Fuels Data Center Home Page on Facebook Tweet about EERE: Alternative Fuels Data Center Home Page on Twitter Bookmark EERE: Alternative Fuels Data Center Homesum_a_epg0_fpd_mmcf_m.xls" ,"Available from WebQuantity ofkandz-cm11 Outreach Home Room NewsInformationJesseworkSURVEY UNIVERSEHowScientificOmbuds OfficeOneFasterdataOpen MSI Open MSI

  10. Mass Spectrometry imaging of plant metabolites | The Ames Laboratory

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

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  11. Beam geometry selection using sequential beam addition

    SciTech Connect (OSTI)

    Popple, Richard A. Brezovich, Ivan A.; Fiveash, John B.

    2014-05-15

    Purpose: The selection of optimal beam geometry has been of interest since the inception of conformal radiotherapy. The authors report on sequential beam addition, a simple beam geometry selection method, for intensity modulated radiation therapy. Methods: The sequential beam addition algorithm (SBA) requires definition of an objective function (score) and a set of candidate beam geometries (pool). In the first iteration, the optimal score is determined for each beam in the pool and the beam with the best score selected. In the next iteration, the optimal score is calculated for each beam remaining in the pool combined with the beam selected in the first iteration, and the best scoring beam is selected. The process is repeated until the desired number of beams is reached. The authors selected three treatment sites, breast, lung, and brain, and determined beam arrangements for up to 11 beams from a pool comprised of 25 equiangular transverse beams. For the brain, arrangements were additionally selected from a pool of 22 noncoplanar beams. Scores were determined for geometries comprised equiangular transverse beams (EQA), as well as two tangential beams for the breast case. Results: In all cases, SBA resulted in scores superior to EQA. The breast case had the strongest dependence on beam geometry, for which only the 7-beam EQA geometry had a score better than the two tangential beams, whereas all SBA geometries with more than two beams were superior. In the lung case, EQA and SBA scores monotonically improved with increasing number of beams; however, SBA required fewer beams to achieve scores equivalent to EQA. For the brain case, SBA with a coplanar pool was equivalent to EQA, while the noncoplanar pool resulted in slightly better scores; however, the dose-volume histograms demonstrated that the differences were not clinically significant. Conclusions: For situations in which beam geometry has a significant effect on the objective function, SBA can identify arrangements equivalent to equiangular geometries but using fewer beams. Furthermore, SBA provides the value of the objective function as the number of beams is increased, allowing the planner to select the minimal beam number that achieves the clinical goals. The method is simple to implement and could readily be incorporated into an existing optimization system.

  12. Chemical oxidation of tryptic digests to improve sequence coverage in peptide mass fingerprint protein identification 

    E-Print Network [OSTI]

    Lucas, Jessica Elaine

    2004-09-30

    Peptide mass fingerprinting (PMF) of protein digests is a widely-accepted method for protein identification in MS-based proteomic studies. Matrix-assisted laser desorption/ionization mass spectrometry (MALDI) is the technique of choice in PMF...

  13. International Journal of Mass Spectrometry 226 (2003) 135 Matrix-assisted laser desorption/ionization mass spectrometry

    E-Print Network [OSTI]

    2003-01-01

    , electrospray ionization; FAB, fast atom bom- bardment; Frc, fructose; FT, Fourier transform; Fuc, fucose; FWHM-assisted laser desorption/ ionization; Man, mannose; PAGE, polyacrylamide gel electropho- resis; PD, plasma

  14. The History of Nuclidic Masses and of their Evaluation

    E-Print Network [OSTI]

    G. Audi

    2006-02-08

    This paper is centered on some historical aspects of nuclear masses, and their relations to major discoveries. Besides nuclear reactions and decays, the heart of mass measurements lies in mass spectrometry, the early history of which will be reviewed first. I shall then give a short history of the mass unit which has not always been defined as one twelfth of the carbon-12 mass. When combining inertial masses from mass spectrometry with energy differences obtained in reactions and decays, the conversion factor between the two is essential. The history of the evaluation of the nuclear masses (actually atomic masses) is only slightly younger than that of the mass measurements themselves. In their modern form, mass evaluations can be traced back to 1955. Prior to 1955, several tables were established, the oldest one in 1935.

  15. Ion-beam and electron-beam irradiation of synthetic britholite S. Utsunomiya a

    E-Print Network [OSTI]

    Utsunomiya, Satoshi

    Ion-beam and electron-beam irradiation of synthetic britholite S. Utsunomiya a , S. Yudintsev b , L ). The sequence of increasing Tc correlates with the mass of the incident ion; whereas, the ratio of electronic to nuclear stopping power (ENSP) is inversely correlated with Tc. Electron irradiations were conducted

  16. Neutron spectrometry for UF6 enrichment verification in storage cylinders

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Mengesha, Wondwosen; Kiff, Scott D.

    2015-01-29

    Verification of declared UF6 enrichment and mass in storage cylinders is of great interest in nuclear material nonproliferation. Nondestructive assay (NDA) techniques are commonly used for safeguards inspections to ensure accountancy of declared nuclear materials. Common NDA techniques used include gamma-ray spectrometry and both passive and active neutron measurements. In the present study, neutron spectrometry was investigated for verification of UF6 enrichment in 30B storage cylinders based on an unattended and passive measurement approach. MCNP5 and Geant4 simulated neutron spectra, for selected UF6 enrichments and filling profiles, were used in the investigation. The simulated neutron spectra were analyzed using principalmore »component analysis (PCA). The PCA technique is a well-established technique and has a wide area of application including feature analysis, outlier detection, and gamma-ray spectral analysis. Results obtained demonstrate that neutron spectrometry supported by spectral feature analysis has potential for assaying UF6 enrichment in storage cylinders. The results from the present study also showed that difficulties associated with the UF6 filling profile and observed in other unattended passive neutron measurements can possibly be overcome using the approach presented.« less

  17. Colliding Crystalline Beams

    E-Print Network [OSTI]

    Wei, J.

    2008-01-01

    6] J. Wei, et ai, Crystalline Beams and Related Issues,LABORATORY Colliding Crystalline Beams Jie Wei and A.M.CBP Note-262 Colliding Crystalline Beams* Jie Wei Brookhaven

  18. Improving Alpha Spectrometry Energy Resolution by Ion Implantation with ICP-MS

    SciTech Connect (OSTI)

    Dion, Michael P.; Liezers, Martin; Farmer, Orville T.; Miller, Brian W.; Morley, Shannon M.; Barinaga, Charles J.; Eiden, Gregory C.

    2015-01-01

    We report results of a novel technique using an Inductively Coupled Plasma Mass Spectrometer (ICP-MS) as a method of source preparation for alpha spectrometry. This method produced thin, contaminant free 241Am samples which yielded extraordinary energy resolution which appear to be at the lower limit of the detection technology used in this research.

  19. Lead Slowing-Down Spectrometry Analysis of Data from Measurements on Nuclear Fuel

    E-Print Network [OSTI]

    Danon, Yaron

    PR EPR IN T Lead Slowing-Down Spectrometry Analysis of Data from Measurements on Nuclear Fuel Glen://dx.doi.org/10.13182/NSE13-71 Abstract ­ Improved nondestructive assay of isotopic masses in used nuclear fuel, and reprocessing of used nuclear fuel. Our collaboration is examining the feasibility of using lead slowing

  20. Lead Slowing Down Spectrometry Analysis of Data from Measurements...

    Office of Scientific and Technical Information (OSTI)

    Lead Slowing Down Spectrometry Analysis of Data from Measurements on Nuclear Fuel Citation Details In-Document Search Title: Lead Slowing Down Spectrometry Analysis of Data from...

  1. Electron Beam Lithography

    E-Print Network [OSTI]

    Sandini, Giulio

    Electron Beam Lithography Marco Salerno #12;Outline · general lithographic concepts · EBL www.cnf.cornell.edu/SPIEBook/SPIE1.HTM #12;Typical Electron Beam Column Zeiss GeminiTM column Types of Electron Beam Columns · no e- cross over no Boersch-effect (additional energy spread) · beam booster

  2. Direct mass measurements of Cd isotopes show strong shell gap at N=82

    E-Print Network [OSTI]

    R. Knöbel; M. Diwisch; F. Bosch; D. Boutin; L. Chen; C. Dimopoulou; A. Dolinskii; B. Franczak; B. Franzke; H. Geissel; M. Hausmann; C. Kozhuharov; J. Kurcewicz; S. A. Litvinova; G. Martínez-Pinedo; M. Matoš; M. Mazzocco; G. Münzenberg; S. Nakajima; C. Nociforo; F. Nolden; T. Ohtsubo; A. Ozawa; Z. Patyk; W. R. Plaß; C. Scheidenberger; J. Stadlmann; M. Steck; B. Sun; T. Suzuki; P. Walker; H. Weick; M. -R. Wu; M. Winkler; T. Yamaguchi

    2015-07-16

    A $^{238}$U projectile beam was used to create cadmium isotopes via abrasion-fission at 410 MeV/u in a beryllium target at the entrance of the in-flight separator FRS at GSI. The fission fragments were separated with the FRS and injected into the isochronous storage ring ESR for mass measurements. The Isochronous Mass Spectrometry (IMS) was performed under two different experimental conditions, with and without B$\\rho$-tagging at the dispersive central focal plane of the FRS. In the experiment with B$\\rho$-tagging the magnetic rigidity of the injected fragments was determined by an accuracy of $2\\times 10^{-4}$. A new method of data analysis, using a correlation matrix for the combined data set from both experiments, has provided mass values for 25 different isotopes for the first time. The high selectivity and sensitivity of the experiment and analysis has given access even to rare isotopes detected with a few atoms per week. In this letter we present for the $^{129,130,131}$Cd isotopes mass values directly measured for the first time. The Cd results clearly show a very pronounced shell effect at $N=82$ which is in agreement with the conclusion from $\\gamma$-ray spectroscopy of $^{130}$Cd and confirms the assumptions of modern shell-model calculations.

  3. Direct mass measurements of Cd isotopes show strong shell gap at N=82

    E-Print Network [OSTI]

    Knöbel, R; Bosch, F; Boutin, D; Chen, L; Dimopoulou, C; Dolinskii, A; Franczak, B; Franzke, B; Geissel, H; Hausmann, M; Kozhuharov, C; Kurcewicz, J; Litvinova, S A; Martínez-Pinedo, G; Matoš, M; Mazzocco, M; Münzenberg, G; Nakajima, S; Nociforo, C; Nolden, F; Ohtsubo, T; Ozawa, A; Patyk, Z; Plaß, W R; Scheidenberger, C; Stadlmann, J; Steck, M; Sun, B; Suzuki, T; Walker, P; Weick, H; Wu, M -R; Winkler, M; Yamaguchi, T

    2015-01-01

    A $^{238}$U projectile beam was used to create cadmium isotopes via abrasion-fission at 410 MeV/u in a beryllium target at the entrance of the in-flight separator FRS at GSI. The fission fragments were separated with the FRS and injected into the isochronous storage ring ESR for mass measurements. The Isochronous Mass Spectrometry (IMS) was performed under two different experimental conditions, with and without B$\\rho$-tagging at the dispersive central focal plane of the FRS. In the experiment with B$\\rho$-tagging the magnetic rigidity of the injected fragments was determined by an accuracy of $2\\times 10^{-4}$. A new method of data analysis, using a correlation matrix for the combined data set from both experiments, has provided mass values for 25 different isotopes for the first time. The high selectivity and sensitivity of the experiment and analysis has given access even to rare isotopes detected with a few atoms per week. In this letter we present for the $^{129,130,131}$Cd isotopes mass values directly ...

  4. The electron beam hole drilling of silicon nitride thin films

    SciTech Connect (OSTI)

    Howitt, D. G.; Chen, S. J.; Gierhart, B. C.; Smith, R. L.; Collins, S. D.

    2008-01-15

    The mechanism by which an intense electron beam can produce holes in thin films of silicon nitride has been investigated using a combination of in situ electron energy loss spectrometry and electron microscopy imaging. A brief review of electron beam interactions that lead to material loss in different materials is also presented. The loss of nitrogen and silicon decreases with decreasing beam energy and although still observable at a beam energy of 150 keV ceases completely at 120 keV. The linear behavior of the loss rate coupled with the energy dependency indicates that the process is primarily one of direct displacement, involving the sputtering of atoms from the back surface of the specimen with the rate controlling mechanism being the loss of nitrogen.

  5. An overview of the facilities, activities, and developments at the University of North Texas Ion Beam Modification and Analysis Laboratory (IBMAL)

    SciTech Connect (OSTI)

    Rout, Bibhudutta; Dhoubhadel, Mangal S.; Poudel, Prakash R.; Kummari, Venkata C.; Pandey, Bimal; Deoli, Naresh T.; Lakshantha, Wickramaarachchige J.; Mulware, Stephen J.; Baxley, Jacob; Manuel, Jack E.; Pacheco, Jose L.; Szilasi, Szabolcs; Weathers, Duncan L.; Reinert, Tilo; Glass, Gary A.; Duggan, Jerry L.; McDaniel, Floyd D. [Ion Beam Modification and Analysis Laboratory, University of North Texas, Department of Physics, 1155 Union Circle 311427, Denton, Texas 76203 (United States)

    2013-07-03

    The Ion Beam Modification and Analysis Laboratory (IBMAL) at the University of North Texas includes several accelerator facilities with capabilities of producing a variety of ion beams from tens of keV to several MeV in energy. The four accelerators are used for research, graduate and undergraduate education, and industrial applications. The NEC 3MV Pelletron tandem accelerator has three ion sources for negative ions: He Alphatross and two different SNICS-type sputter ion sources. Presently, the tandem accelerator has four high-energy beam transport lines and one low-energy beam transport line directly taken from the negative ion sources for different research experiments. For the low-energy beam line, the ion energy can be varied from {approx}20 to 80 keV for ion implantation/modification of materials. The four post-acceleration beam lines include a heavy-ion nuclear microprobe; multi-purpose PIXE, RBS, ERD, NRA, and broad-beam single-event upset; high-energy ion implantation line; and trace-element accelerator mass spectrometry. The NEC 3MV single-ended Pelletron accelerator has an RF ion source mainly for hydrogen, helium and heavier inert gases. We recently installed a capacitive liner to the terminal potential stabilization system for high terminal voltage stability and high-resolution microprobe analysis. The accelerator serves a beam line for standard RBS and RBS/C. Another beamline for high energy focused ion beam application using a magnetic quadrupole lens system is currently under construction. This beam line will also serve for developmental work on an electrostatic lens system. The third accelerator is a 200 kV Cockcroft-Walton accelerator with an RF ion source. The fourth accelerator is a 2.5 MV Van de Graaff accelerator, which was in operation for last several decades is currently planned to be used mainly for educational purpose. Research projects that will be briefly discussed include materials synthesis/modification for photonic, electronic, and magnetic applications, surface sputtering and micro-fabrication of materials, development of high-energy ion microprobe systems, and educational and outreach activities.

  6. BEAMS: Curiosity | Jefferson Lab

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    BEAMS: Curiosity January 9, 2013 BEAMS, Becoming Excited About Math and Science, is one of our education programs. In particular, it is the only one in which I participate with...

  7. Beam Dynamics for ARIA

    SciTech Connect (OSTI)

    Ekdahl, Carl August Jr. [Los Alamos National Lab. (LANL), Los Alamos, NM (United States)

    2014-10-14

    Beam dynamics issues are assessed for a new linear induction electron accelerator being designed for flash radiography of large explosively driven hydrodynamic experiments. Special attention is paid to equilibrium beam transport, possible emittance growth, and beam stability. It is concluded that a radiographic quality beam will be produced possible if engineering standards and construction details are equivalent to those on the present radiography accelerators at Los Alamos.

  8. Advanced Mass Spectrometric Methods for the Rapid and Quantitative Characterization of Proteomes

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Smith, Richard D.

    2002-01-01

    Progress is reviewed towards the development of a global strategy that aims to extend the sensitivity, dynamic range, comprehensiveness and throughput of proteomic measurements based upon the use of high performance separations and mass spectrometry. The approach uses high accuracy mass measurements from Fourier transform ion cyclotron resonance mass spectrometry (FTICR) to validate peptide ‘accurate mass tags’ (AMTs) produced by global protein enzymatic digestions for a specific organism, tissue or cell type from ‘potential mass tags’ tentatively identified using conventional tandem mass spectrometry (MS/MS). This provides the basis for subsequent measurements without the need for MS/ MS. High resolutionmore »capillary liquid chromatography separations combined with high sensitivity, and high resolution accurate FTICR measurements are shown to be capable of characterizing peptide mixtures of more than 10 5 components. The strategy has been initially demonstrated using the microorganisms Saccharomyces cerevisiae and Deinococcus radiodurans. Advantages of the approach include the high confidence of protein identification, its broad proteome coverage, high sensitivity, and the capability for stableisotope labeling methods for precise relative protein abundance measurements. Abbreviations : LC, liquid chromatography; FTICR, Fourier transform ion cyclotron resonance; AMT, accurate mass tag; PMT, potential mass tag; MMA, mass measurement accuracy; MS, mass spectrometry; MS/MS, tandem mass spectrometry; ppm, parts per million. « less

  9. RAPID COMMUNICATIONS IN MASS SPECTROMETRY Rapid Commun. Mass Spectrom. 2005; 19: 287288

    E-Print Network [OSTI]

    strong acidic cation ligand exchanger: sulfonic Sartobind S acid (R-CH2-SO3 -) Minimum binding capacities

  10. Measurement of product alignment in beam-gas chemiluminescent reactions

    E-Print Network [OSTI]

    Measurement of product alignment in beam-gas chemiluminescent reactions Michael G. Prisant, Charles the product rotational alignment in the center of mass frame from polarization measurements of the chemiluminescent atom-diatom exchange reaction A + BC-.AB* + C under beam-gas conditions. The degree of product

  11. Neutralization principles for the Extraction and Transport of Ion Beams

    E-Print Network [OSTI]

    Riege, H

    2000-01-01

    The strict application of conventional extraction techniques of ion beams from a plasma source is characterized by a natural intensity limit determined by space charge.The extracted current may be enhanced far beyond this limit by neutralizing the space charge of the extracted ions in the first extraction gap of the source with electrons injected from the opposite side. The transverse and longitudinal emittances of a neutralized ion beam, hence its brightness, are preserved. Results of beam compensation experiments, which have been carried out with a laser ion source, are resumed for proposing a general scheme of neutralizing ion sources and their adjacent low-energy beam transport channels with electron beams. Many technical applications of high-mass ion beam neutralization technology may be identified: the enhancement of ion source output for injection into high-intensity, low-and high-energy accelerators, or ion thrusters in space technology, for the neutral beams needed for plasma heating of magnetic conf...

  12. DEVELOPMENT OF EMITTANCE ANALYSIS SOFTWARE FOR ION BEAM CHARACTERIZATION

    SciTech Connect (OSTI)

    Padilla, M. J.; Liu, Y.

    2007-01-01

    Transverse beam emittance is a crucial property of charged particle beams that describes their angular and spatial spread. It is a fi gure of merit frequently used to determine the quality of ion beams, the compatibility of an ion beam with a given beam transport system, and the ability to suppress neighboring isotopes at on-line mass separator facilities. Generally a high quality beam is characterized by a small emittance. In order to determine and improve the quality of ion beams used at the Holifi eld Radioactive Ion beam Facility (HRIBF) for nuclear physics and nuclear astrophysics research, the emittances of the ion beams are measured at the off-line Ion Source Test Facilities. In this project, emittance analysis software was developed to perform various data processing tasks for noise reduction, to evaluate root-mean-square emittance, Twiss parameters, and area emittance of different beam fractions. The software also provides 2D and 3D graphical views of the emittance data, beam profi les, emittance contours, and RMS. Noise exclusion is essential for accurate determination of beam emittance values. A Self-Consistent, Unbiased Elliptical Exclusion (SCUBEEx) method is employed. Numerical data analysis techniques such as interpolation and nonlinear fi tting are also incorporated into the software. The software will provide a simplifi ed, fast tool for comprehensive emittance analysis. The main functions of the software package have been completed. In preliminary tests with experimental emittance data, the analysis results using the software were shown to be accurate.

  13. Multiple species beam production on laser ion source for electron beam ion source in Brookhaven National Laboratory

    SciTech Connect (OSTI)

    Sekine, M., E-mail: sekine.m.ae@m.titech.ac.jp [Research Laboratory for Nuclear Reactors, Tokyo Institute of Technology, Meguro, Tokyo (Japan); Riken, Wako, Saitama (Japan); Ikeda, S. [Riken, Wako, Saitama (Japan) [Riken, Wako, Saitama (Japan); Department of Energy Science, Tokyo Institute of Technology, Yokohama, Kanagawa (Japan); Hayashizaki, N. [Research Laboratory for Nuclear Reactors, Tokyo Institute of Technology, Meguro, Tokyo (Japan)] [Research Laboratory for Nuclear Reactors, Tokyo Institute of Technology, Meguro, Tokyo (Japan); Kanesue, T.; Okamura, M. [Collider-Accelerator Department, Brookhaven National Laboratory, Upton, New York 11973 (United States)] [Collider-Accelerator Department, Brookhaven National Laboratory, Upton, New York 11973 (United States)

    2014-02-15

    Extracted ion beams from the test laser ion source (LIS) were transported through a test beam transport line which is almost identical to the actual primary beam transport in the current electron beam ion source apparatus. The tested species were C, Al, Si, Cr, Fe, Cu, Ag, Ta, and Au. The all measured beam currents fulfilled the requirements. However, in the case of light mass ions, the recorded emittance shapes have larger aberrations and the RMS values are higher than 0.06 ??mm?mrad, which is the design goal. Since we have margin to enhance the beam current, if we then allow some beam losses at the injection point, the number of the single charged ions within the acceptance can be supplied. For heaver ions like Ag, Ta, and Au, the LIS showed very good performance.

  14. Human Plasma Proteome Analysis by Multidimensional Chromatography Prefractionation and Linear Ion Trap Mass

    E-Print Network [OSTI]

    Tian, Weidong

    to facilitate human plasma proteome research. Keywords: proteomics · human plasma · mass spectrometry · two the past decades of plasma proteome research works based on 2-DE:2,14-20 the highest quantity of identified

  15. Atom penetration from a thin film into the substrate during sputtering by polyenergetic Ar{sup +} ion beam with mean energy of 9.4 keV

    SciTech Connect (OSTI)

    Kalin, B.A.; Gladkov, V.P.; Volkov, N.V.; Sabo, S.E. [Moscow Engineering Physics Inst. (Russian Federation)

    1995-12-31

    Penetration of alien atoms (Be, Ni) into Be, Al, Zr, Si and diamond was investigated under Ar{sup +} ion bombardment of samples having thermally evaporated films of 30--50 nm. Sputtering was carried out using a wide energy spectrum beam of Ar{sup +} ions of 9.4 keV to dose D = 1 {times} 10{sup 16}--10{sup 19} ion/cm{sup 2}. Implanted atom distribution in the targets was measured by Rutherford backscattering spectrometry (RBS) of H{sup +} and He{sup +} ions with energy of 1.6 MeV as well as secondary ion mass-spectrometry (SIMS). During the bombardment, the penetration depth of Ar atoms increases with dose linearly. This depth is more than 3--20 times deeper than the projected range of bombarding ions and recoil atoms. This is a deep action effect. The analysis shows that the experimental data for foreign atoms penetration depth are similar to the data calculated for atom migration through the interstitial site in a field of internal (lateral) compressive stresses created in the near-surface layer of the substrate as a result of implantation. Under these experimental conditions atom ratio r{sub i}/r{sub m} (r{sub i} -- radius of dopant, r{sub m} -- radius target of substrate) can play a principal determining role.

  16. {sup 18}Ne production for the Beta beams project

    SciTech Connect (OSTI)

    Hodák, Rastislav [Institute of Experimental and Applied Physics, CTU in Prague, Horská 3/22a, CZ-12800 Prague (Czech Republic); Mendonça, Tania M. [IFIMUP and IN - Institute of Nanosciences and Nanotechnologies, Rua do Campo Alegre 687, 4169-007 Porto, Portugal and CERN, CH-1211 Geneva 23 (Swaziland); Stora, Thierry [CERN, CH-1211 Geneva 23 (Switzerland)

    2013-12-30

    Intense relativistic (anti)neutrino beams are an unique tool required to study fundamental properties of neutrinos such as neutrino oscillation parameters, as well as their Majorana or Dirac nature, the lepton number conservation hypothesis and the absolute neutrino mass scale. Such beams originate from acceleration of ?-decaying radioactive ions (“Beta beams”). A molten fluoride salt target has been developed for the production of the required rates of low-Q baseline isotope {sup 18}Ne for the Beta beams project. The prototyped unit has been tested on-line at ISOLDE-CERN. In this contribution an overview of the prototyping and on-line tests is presented.

  17. Electron beam enhanced surface modification for making highly resolved structures

    DOE Patents [OSTI]

    Pitts, John R. (Golden, CO)

    1986-01-01

    A method for forming high resolution submicron structures on a substrate is provided by direct writing with a submicron electron beam in a partial pressure of a selected gas phase characterized by the ability to dissociate under the beam into a stable gaseous leaving group and a reactant fragment that combines with the substrate material under beam energy to form at least a surface compound. Variations of the method provide semiconductor device regions on doped silicon substrates, interconnect lines between active sites, three dimensional electronic chip structures, electron beam and optical read mass storage devices that may include color differentiated data areas, and resist areas for use with selective etching techniques.

  18. Mass spectral characterization of oxygen-containing aromatics with methanol chemical ionization

    SciTech Connect (OSTI)

    Buchanan, M.V.

    1984-03-01

    Chemical ionization mass spectrometry with methanol and deuterated methanol as ionization reagents is used to differentiate oxygen-containing aromatics, including phenols, aromatic ethers, and aromatic substituted alcohols, as well as compounds containing more than one oxygen atom. The analogous sulfur-containing aromatics may be similarly differentiated. Methanol chemical ionization is used to characterize a neutral aromatic polar subfraction of a coal-derived liquid by combined gas chromatography/mass spectrometry. 16 references, 2 tables, 1 figure.

  19. BEAM DYNAMICS STUDIES FOR THE SPIRAL-2 PROJECT J-L. Biarrotte#

    E-Print Network [OSTI]

    Paris-Sud XI, Université de

    this construction phase: freezing of the low-energy beam transport lines of the injector, consolidation of the mass of freezing the layout of the injector low-energy beam transport lines, as is shown in Figure 1, superconducting linac, and high-energy beam transport lines (HEBTs). The injector includes two ECR sources (one

  20. Methods of Beam Cooling

    E-Print Network [OSTI]

    Sessler, A. M.

    2008-01-01

    of Optical Stochastic Cooling", presented at PAC, (1995).1991). Hangst, J. , "Laser Cooling of a Stored Ion Beam - ATheorem and Phase Space Cooling", Proceedings of the

  1. Center for Beam Physics

    E-Print Network [OSTI]

    Chattopadhyay, S.

    2010-01-01

    presented at APS Division of Plasma Physics, Denver,of Division of Physics of Beams of APS, InternationalLinear Colliders," APS New Directions in High Energy Physics

  2. Piezoelectric energy harvester having planform-tapered interdigitated beams

    DOE Patents [OSTI]

    Kellogg, Rick A. (Tijeras, NM); Sumali, Hartono (Albuquerque, NM)

    2011-05-24

    Embodiments of energy harvesters have a plurality of piezoelectric planform-tapered, interdigitated cantilevered beams anchored to a common frame. The plurality of beams can be arranged as two or more sets of beams with each set sharing a common sense mass affixed to their free ends. Each set thus defined being capable of motion independent of any other set of beams. Each beam can comprise a unimorph or bimorph piezoelectric configuration bonded to a conductive or non-conductive supporting layer and provided with electrical contacts to the active piezoelectric elements for collecting strain induced charge (i.e. energy). The beams are planform tapered along the entirety or a portion of their length thereby increasing the effective stress level and power output of each piezoelectric element, and are interdigitated by sets to increase the power output per unit volume of a harvester thus produced.

  3. Matej Mayer RBS -Rutherford Backscattering Spectrometry

    E-Print Network [OSTI]

    Smith, Richard J.

    Elements · 1977: J.W. Mayer and E. Rimini Ion Beam Handbook for Materials Analysis · 1979: R.A. Jarjis spectra · 1995: J.R. Tesmer and M. Nastasi Handbook of Modern Ion Beam Materials Analysis · 1997: M. Mayer power and energy loss · Detector resolution · Energy loss straggling · Cross sections from selected

  4. Method and apparatus for measuring the momentum, energy, power, and power density profile of intense particle beams

    DOE Patents [OSTI]

    Gammel, George M. (Merrick, NY); Kugel, Henry W. (Somerset, NJ)

    1992-10-06

    A method and apparatus for determining the power, momentum, energy, and power density profile of high momentum mass flow. Small probe projectiles of appropriate size, shape and composition are propelled through an intense particle beam at equal intervals along an axis perpendicular to the beam direction. Probe projectiles are deflected by collisions with beam particles. The net beam-induced deflection of each projectile is measured after it passes through the intense particle beam into an array of suitable detectors.

  5. Laser beam generating apparatus

    DOE Patents [OSTI]

    Warner, B.E.; Duncan, D.B.

    1994-02-15

    Laser beam generating apparatus including a septum segment disposed longitudinally within the tubular structure of the apparatus is described. The septum provides for radiatively dissipating heat buildup within the tubular structure and for generating relatively uniform laser beam pulses so as to minimize or eliminate radial pulse delays (the chevron effect). 7 figures.

  6. Beam Diagnostics for FACET

    SciTech Connect (OSTI)

    Li, S.Z.; Hogan, M.J.; /SLAC

    2011-08-19

    FACET, the Facility for Advanced Accelerator and Experimental Tests, is a new facility being constructed in sector 20 of the SLAC linac primarily to study beam driven plasma wakefield acceleration beginning in summer 2011. The nominal FACET parameters are 23GeV, 3nC electron bunches compressed to about 20 {micro}m long and focussed to about 10 {micro}m wide. Characterization of the beam-plasma interaction requires complete knowledge of the incoming beam parameters on a pulse-to-pulse basis. FACET diagnostics include Beam Position Monitors, Toroidal current monitors, X-ray and Cerenkov based energy spectrometers, optical transition radiation (OTR) profile monitors and coherent transition radiation (CTR) bunch length measurement systems. The compliment of beam diagnostics and their expected performance are reviewed. Beam diagnostic measurements not only provide valuable insights to the running and tuning of the accelerator but also are crucial for the PWFA experiments in particular. Beam diagnostic devices are being set up at FACET and will be ready for beam commissioning in summer 2011.

  7. Laser beam generating apparatus

    DOE Patents [OSTI]

    Warner, B.E.; Duncan, D.B.

    1993-12-28

    Laser beam generating apparatus including a septum segment disposed longitudinally within the tubular structure of the apparatus. The septum provides for radiatively dissipating heat buildup within the tubular structure and for generating relatively uniform laser beam pulses so as to minimize or eliminate radial pulse delays (the chevron effect). 11 figures.

  8. Extending Penning trap mass measurements with SHIPTRAP to the heaviest elements

    SciTech Connect (OSTI)

    Block, M.; Ackermann, D.; Herfurth, F.; Hofmann, S.; Blaum, K.; Droese, C.; Marx, G.; Schweikhard, L.; Duellmann, Ch. E.; Eibach, M.; Eliseev, S.; Haettner, E.; Plass, W. R.; Scheidenberger, C.; Hessberger, F. P.; Ramirez, E. Minaya; Nesterenko, D.; and others

    2013-03-19

    Penning-trap mass spectrometry of radionuclides provides accurate mass values and absolute binding energies. Such mass measurements are sensitive indicators of the nuclear structure evolution far away from stability. Recently, direct mass measurements have been extended to the heavy elements nobelium (Z=102) and lawrencium (Z=103) with the Penning-trap mass spectrometer SHIPTRAP. The results probe nuclear shell effects at N=152. New developments will pave the way to access even heavier nuclides.

  9. First Beam to FACET

    SciTech Connect (OSTI)

    Erickson, R.; Clarke, C.; Colocho, W.; Decker, F.-J.; Hogan, M.; Kalsi, S.; Lipkowitz, N.; Nelson, J.; Phinney, N.; Schuh, P.; Sheppard, J.; Smith, H.; Smith, T.; Stanek, M.; Turner, J.; Warren, J.; Weathersby, S.; Wienands, U.; Wittmer, W.; Woodley, M.; Yocky, G.; /SLAC

    2011-12-13

    The SLAC 3km linear electron accelerator has been reconfigured to provide a beam of electrons to the new Facility for Advanced Accelerator Experimental Tests (FACET) while simultaneously providing an electron beam to the Linac Coherent Light Source (LCLS). On June 23, 2011, the first electron beam was transported through this new facility. Commissioning of FACET is in progress. On June 23, 2011, an electron beam was successfully transported through the new FACET system to a dump in Sector 20 in the linac tunnel. This was achieved while the last third of the linac, operating from the same control room, but with a separate injector system, was providing an electron beam to the Linac Coherent Light Source (LCLS), demonstrating that concurrent operation of the two facilities is practical. With the initial checkout of the new transport line essentially complete, attention is now turning toward compressing the electron bunches longitudinally and focusing them transversely to support a variety of accelerator science experiments.

  10. STOCHASTIC COOLING OF BUNCHED BEAMS

    E-Print Network [OSTI]

    Bisognano, J.J.

    2010-01-01

    March 11-13, 1981 STOCHASTIC COOLING OF BUNCHED BEAMS J.J.W-7406-BW-48 STOCHASTIC COOLING OF BUNCHED BEAMS* J.J.longitudinal stochastic cooling of bunched particle beams.

  11. MULTIMEGAWATT NEUTRAL BEAMS FOR TOKAMAKS

    E-Print Network [OSTI]

    Kunkel, W.B.

    2010-01-01

    NEUTRAL BEAMS FOR TOKAMAKS Wulf B. Kunkel March 1979NEUTRAL BEAMS FOR TOKAMAKS* Wulf 6. Kunkel AV « tract Mostit seems probable that tokamaks will achieve "scientific"

  12. Challenges in Accelerator Beam Instrumentation

    SciTech Connect (OSTI)

    Wendt, M.

    2009-12-01

    The challenges in beam instrumentation and diagnostics for present and future particle accelerator projects are presented. A few examples for advanced hadron and lepton beam diagnostics are given.

  13. Simulations of beam-beam and beam-wire interactions in RHIC

    SciTech Connect (OSTI)

    Kim, Hyung J.; Sen, Tanaji; /Fermilab; Abreu, Natalia P.; Fischer, Wolfram; /Brookhaven

    2009-02-01

    The beam-beam interaction is one of the dominant sources of emittance growth and luminosity lifetime deterioration. A current carrying wire has been proposed to compensate long-range beam-beam effects in the LHC and strong localized long-range beam-beam effects are experimentally investigated in the RHIC collider. Tune shift, beam transfer function, and beam loss rate are measured in dedicated experiments. In this paper, they report on simulations to study the effect of beam-wire interactions based on diffusive apertures, beam loss rates, and beam transfer function using a parallelized weak-strong beam simulation code (BBSIMC). The simulation results are compared with measurements performed in RHIC during 2007 and 2008.

  14. Electron Beam for LHC

    E-Print Network [OSTI]

    Mieczyslaw Witold Krasny

    2004-05-13

    A method of delivering a monochromatic electron beam to the LHC interaction points is proposed. In this method, heavy ions are used as carriers of the projectile electrons. Acceleration, storage and collision-stability aspects of such a hybrid beam is discussed and a new beam-cooling method is presented. This discussion is followed by a proposal of the Parasitic Ion-Electron collider at LHC (PIE@LHC). The PIE@LHC provides an opportunity, for the present LHC detectors, to enlarge the scope of their research program by including the program of electron-proton and electron-nucleuscollisions with minor machine and detector investments.

  15. LEDA BEAM DIAGNOSTICS INSTRUMENTATION: BEAM POSITION MONITORS

    SciTech Connect (OSTI)

    D. BARR; ET AL

    2000-05-01

    The Low Energy Demonstration Accelerator (LEDA) facility located at Los Alamos National Laboratory (LANL) accelerates protons to an energy of 6.7-MeV and current of 100-mA operating in either a pulsed or cw mode. Of key importance to the commissioning and operations effort is the Beam Position Monitor system (BPM). The LEDA BPM system uses five micro-stripline beam position monitors processed by log ratio processing electronics with data acquisition via a series of custom TMS32OC40 Digital Signal Processing (DSP) boards. Of special interest to this paper is the operation of the system, the log ratio processing, and the system calibration technique. This paper will also cover the DSP system operations and their interaction with the main accelerator control system.

  16. Development of a variable-temperature ion mobility/ time-of-flight mass spectrometer for separation of electronic isomers 

    E-Print Network [OSTI]

    Verbeck, Guido Fridolin

    2005-08-29

    The construction of a liquid nitrogen-cooled ion mobility spectrometer coupled with time-of-flight mass spectrometry was implemented to demonstrate the ability to discriminate between electronic isomers. Ion mobility allows for the separation...

  17. Heavy Oil Upgrading from Electron Beam (E-Beam) Irradiation 

    E-Print Network [OSTI]

    Yang, Daegil

    2011-02-22

    to upgrade. This thesis demonstrates that electron beam (E-Beam) heavy oil upgrading, which uses unique features of E-Beam irradiation, may be used to improve conventional heavy oil upgrading. E-Beam processing lowers the thermal energy requirements and could...

  18. Focused ion beam system

    DOE Patents [OSTI]

    Leung, Ka-Ngo (Hercules, CA); Gough, Richard A. (Kensington, CA); Ji, Qing (Berkeley, CA); Lee, Yung-Hee Yvette (Berkeley, CA)

    1999-01-01

    A focused ion beam (FIB) system produces a final beam spot size down to 0.1 .mu.m or less and an ion beam output current on the order of microamps. The FIB system increases ion source brightness by properly configuring the first (plasma) and second (extraction) electrodes. The first electrode is configured to have a high aperture diameter to electrode thickness aspect ratio. Additional accelerator and focusing electrodes are used to produce the final beam. As few as five electrodes can be used, providing a very compact FIB system with a length down to only 20 mm. Multibeamlet arrangements with a single ion source can be produced to increase throughput. The FIB system can be used for nanolithography and doping applications for fabrication of semiconductor devices with minimum feature sizes of 0.1 .mu.m or less.

  19. Focused ion beam system

    DOE Patents [OSTI]

    Leung, K.; Gough, R.A.; Ji, Q.; Lee, Y.Y.

    1999-08-31

    A focused ion beam (FIB) system produces a final beam spot size down to 0.1 {mu}m or less and an ion beam output current on the order of microamps. The FIB system increases ion source brightness by properly configuring the first (plasma) and second (extraction) electrodes. The first electrode is configured to have a high aperture diameter to electrode thickness aspect ratio. Additional accelerator and focusing electrodes are used to produce the final beam. As few as five electrodes can be used, providing a very compact FIB system with a length down to only 20 mm. Multibeamlet arrangements with a single ion source can be produced to increase throughput. The FIB system can be used for nanolithography and doping applications for fabrication of semiconductor devices with minimum feature sizes of 0.1 m or less. 13 figs.

  20. LHC Beam Loss Monitors

    E-Print Network [OSTI]

    Arauzo-Garcia, A; Ferioli, G; Gschwendtner, E

    2001-01-01

    At the Large Hadron Collider (LHC) a beam loss system will be installed for a continuous surveillance of particle losses. These beam particles deposit their energy in the super-conducting coils leading to temperature increase, possible magnet quenches and damages. Detailed simulations have shown that a set of six detectors outside the cryostats of the quadrupole magnets in the regular arc cells are needed to completely diagnose the expected beam losses and hence protect the magnets. To characterize the quench levels different loss rates are identified. In order to cover all possible quench scenarios the dynamic range of the beam loss monitors has to be matched to the simulated loss rates. For that purpose different detector systems (PIN-diodes and ionization chambers) are compared.

  1. Beam! Magic! | Jefferson Lab

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    with all the changes, the accelerator can be made to work. Beam Since my first serious introduction to nuclear and particle physics - when I worked for a few weeks one summer at...

  2. Beam/seam alignment control for electron beam welding

    DOE Patents [OSTI]

    Burkhardt, Jr., James H. (Knoxville, TN); Henry, J. James (Oak Ridge, TN); Davenport, Clyde M. (Knoxville, TN)

    1980-01-01

    This invention relates to a dynamic beam/seam alignment control system for electron beam welds utilizing video apparatus. The system includes automatic control of workpiece illumination, near infrared illumination of the workpiece to limit the range of illumination and camera sensitivity adjustment, curve fitting of seam position data to obtain an accurate measure of beam/seam alignment, and automatic beam detection and calculation of the threshold beam level from the peak beam level of the preceding video line to locate the beam or seam edges.

  3. Inverse time-of-flight spectrometer for beam plasma research

    SciTech Connect (OSTI)

    Yushkov, Yu. G., E-mail: yuyushkov@gmail.com; Zolotukhin, D. B.; Tyunkov, A. V. [Tomsk State University of Control Systems and Radioelectronics, 40 Lenin Ave., Tomsk 634050 (Russian Federation); Oks, E. M. [Tomsk State University of Control Systems and Radioelectronics, 40 Lenin Ave., Tomsk 634050 (Russian Federation); Institute of High Current Electronics SB RAS, 2/3, Akademichesky Ave., Tomsk 634055 (Russian Federation); Savkin, K. P. [Institute of High Current Electronics SB RAS, 2/3, Akademichesky Ave., Tomsk 634055 (Russian Federation)

    2014-08-15

    The paper describes the design and principle of operation of an inverse time-of-flight spectrometer for research in the plasma produced by an electron beam in the forevacuum pressure range (5–20 Pa). In the spectrometer, the deflecting plates as well as the drift tube and the primary ion beam measuring system are at high potential with respect to ground. This provides the possibility to measure the mass-charge constitution of the plasma created by a continuous electron beam with a current of up to 300 mA and electron energy of up to 20 keV at forevacuum pressures in the chamber placed at ground potential. Research results on the mass-charge state of the beam plasma are presented and analyzed.

  4. Photon beam position monitor

    DOE Patents [OSTI]

    Kuzay, T.M.; Shu, D.

    1995-02-07

    A photon beam position monitor is disclosed for use in the front end of a beamline of a high heat flux and high energy photon source such as a synchrotron radiation storage ring detects and measures the position and, when a pair of such monitors are used in tandem, the slope of a photon beam emanating from an insertion device such as a wiggler or an undulator inserted in the straight sections of the ring. The photon beam position monitor includes a plurality of spaced blades for precisely locating the photon beam, with each blade comprised of chemical vapor deposition (CVD) diamond with an outer metal coating of a photon sensitive metal such as tungsten, molybdenum, etc., which combination emits electrons when a high energy photon beam is incident upon the blade. Two such monitors are contemplated for use in the front end of the beamline, with the two monitors having vertically and horizontally offset detector blades to avoid blade ''shadowing''. Provision is made for aligning the detector blades with the photon beam and limiting detector blade temperature during operation. 18 figs.

  5. Single element laser beam shaper

    DOE Patents [OSTI]

    Zhang, Shukui (Yorktown, VA); Michelle D. Shinn (Newport News, VA)

    2005-09-13

    A single lens laser beam shaper for converting laser beams from any spatial profile to a flat-top or uniform spatial profile. The laser beam shaper includes a lens having two aspheric surfaces. The beam shaper significantly simplifies the overall structure in comparison with conventional 2-element systems and therefore provides great ease in alignment and reduction of cost.

  6. Application of Spatially Resolved High Resolution Crystal Spectrometry...

    Office of Scientific and Technical Information (OSTI)

    Crystal Spectrometry to ICF Plasmas Kenneth W. Hill, et. al. 70 PLASMA PHYSICS AND FUSION TECHNOLOGY High Temperature High Temperature High resolution (3; 10 000) 1D...

  7. Fast-ion-beam photoelectron spectrometer K. A. Hanold, C. R. Sherwood, M. C. Garner, and R. E. Continetti

    E-Print Network [OSTI]

    Continetti, Robert E.

    Fast-ion-beam photoelectron spectrometer K. A. Hanold, C. R. Sherwood, M. C. Garner, and R. E) A high-collection-efficiency fast-ion-beam photoelectron spectrometer is described. In a straight time of the photoelectron laboratory energy to center-of-mass energy. The fast-ion-beam photoelectron spectrometer is used

  8. Beam Characterizations at Femtosecond Electron Beam Facility

    SciTech Connect (OSTI)

    Rimjaem, S.; Jinamoon, V.; Kangrang, M.; Kusoljariyakul, K.; Saisut, J.; Thongbai, C.; Vilaithong, T.; Rhodes, M.W.; Wichaisirimongkol, P.; Wiedemann, H.; /SLAC

    2006-03-17

    The SURIYA project at the Fast Neutron Research Facility (FNRF) has been established and is being commissioning to generate femtosecond (fs) electron bunches. Theses short bunches are produced by a system consisting of an S-band thermionic cathode RF-gun, an alpha magnet (a-magnet) serving as a magnetic bunch compressor, and a SLAC-type linear accelerator (linac). The characteristics of its major components and the beam characterizations as well as the preliminary experimental results will be presented and discussed in this paper.

  9. LHC beam-beam compensation studies at RHIC

    SciTech Connect (OSTI)

    Fischer,W.; Abreu, N.; Calaga, R.; Robert-Demolaize, G.; Luo, Y.; Montag, C.

    2009-05-04

    Long-range and head-on beam-beam effects are expected to limit the LHC performance with design parameters. To mitigate long-range effects current carrying wires parallel to the beam were proposed. Two such wires are installed in RHIC where they allow studying the effect of strong long-range beam-beam effects, as well as the compensation of a single long-range interaction. The tests provide benchmark data for simulations and analytical treatments. To reduce the head-on beam-beam effect electron lenses were proposed for both the LHC and RHIC. We present the experimental long-range beam-beam program and report on head-on compensations studies at RHIC, which are based on simulations.

  10. Beam-beam study of ERL based eRHIC

    E-Print Network [OSTI]

    Hao, Y; Ptitsyn, V

    2014-01-01

    Beam-beam effects in eRHIC, the proposed ERL-based Electron-Ion Collider (EIC) at BNL, have several unique features distinguishing them from those in hadron-colliders and lepton-colliders. Taking the advantage of the fact that the electron beam is used only once, we expect the luminosity to be 10 times greater than for the ring-ring collision scheme with similar parameters. However, without instituting proper treatments, the quality of electron and hadron beams can undergo degradation or even beam loss, driven by the beam-beam interactions. We will discuss the harmful effects, including the disruption and mismatch effect of the electron beam, the kink instability and the noise heating of the ion beam and the possible countermeasures.

  11. ICFA Beam Dynamics Newsletter

    SciTech Connect (OSTI)

    Ben-Zvi I.; Kuczewski A.; Altinbas, Z.; Beavis, D.; Belomestnykh,; Dai, J. et al

    2012-07-01

    The Collider-Accelerator Department at Brookhaven National Laboratory is building a high-brightness 500 mA capable Energy Recovery Linac (ERL) as one of its main R&D thrusts towards eRHIC, the polarized electron - hadron collider as an upgrade of the operating RHIC facility. The ERL is in final assembly stages, with injection commisioning starting in October 2012. The objective of this ERL is to serve as a platform for R&D into high current ERL, in particular issues of halo generation and control, Higher-Order Mode (HOM) issues, coherent emissions for the beam and high-brightness, high-power beam generation and preservation. The R&D ERL features a superconducting laser-photocathode RF gun with a high quantum efficiency photoccathode served with a load-lock cathode delivery system, a highly damped 5-cell accelerating cavity, a highly flexible single-pass loop and a comprehensive system of beam instrumentation. In this ICFA Beam Dynamics Newsletter article we will describe the ERL in a degree of detail that is not usually found in regular publications. We will discuss the various systems of the ERL, following the electrons from the photocathode to the beam dump, cover the control system, machine protection etc and summarize with the status of the ERL systems.

  12. The Low-Energy State of Circulating Stored Ion Beams: Crystalline Beams

    E-Print Network [OSTI]

    Wei, J.

    2008-01-01

    Proc. of the Workshop on Crystalline Ion Beams, Werheim,Critical Temperatures for Crystalline Beams", Proc. of theCirculating Stored Ion Beams: Crystalline Beams J. Wei, X. -

  13. Combined distance-of-flight and time-of-flight mass spectrometer

    DOE Patents [OSTI]

    Enke, Christie G; Ray, Steven J; Graham, Alexander W; Hieftje, Gary M; Barinaga, Charles J; Koppenaal, David W

    2014-02-11

    A combined distance-of-flight mass spectrometry (DOFMS) and time-of-flight mass spectrometry (TOFMS) instrument includes an ion source configured to produce ions having varying mass-to-charge ratios, a first detector configured to determine when each of the ions travels a predetermined distance, a second detector configured to determine how far each of the ions travels in a predetermined time, and a detector extraction region operable to direct portions of the ions either to the first detector or to the second detector.

  14. High-precision Penning trap mass measurements for tests of the Standard Model

    SciTech Connect (OSTI)

    Blaum, Klaus; Eliseev, Sergey; Nagy, Szilard

    2010-08-04

    With the nowadays achievable accuracy in Penning trap mass spectrometry on short-lived exotic nuclides as well as stable atoms, precision fundamental tests can be performed, among them a test of the Standard Model, in particular with regard to the weak interaction, the CPT symmetry conservation, and the unitarity of the Cabibbo-Kobayashi-Maskawa quark mixing matrix. In addition, accurate mass values of specific nuclides are important for neutrino physics. The presently best tests of the Standard Model with high-precision Penning trap mass spectrometry will be reviewed.

  15. Neutron spectrometry for ${\\rm UF}_6$ enrichment verification in storage cylinders

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Mengesha, Wondwosen; Kiff, Scott D.

    2015-01-29

    Verification of declared UF6 enrichment and mass in storage cylinders is of great interest in nuclear material nonproliferation. Nondestructive assay (NDA) techniques are commonly used for safeguards inspections to ensure accountancy of declared nuclear materials. Common NDA techniques used include gamma-ray spectrometry and both passive and active neutron measurements. In the present study, neutron spectrometry was investigated for verification of UF6 enrichment in 30B storage cylinders based on an unattended and passive measurement approach. MCNP5 and Geant4 simulated neutron spectra, for selected UF6 enrichments and filling profiles, were used in the investigation. The simulated neutron spectra were analyzed using principalmore »component analysis (PCA). The PCA technique is a well-established technique and has a wide area of application including feature analysis, outlier detection, and gamma-ray spectral analysis. Results obtained demonstrate that neutron spectrometry supported by spectral feature analysis has potential for assaying UF6 enrichment in storage cylinders. The results from the present study also showed that difficulties associated with the UF6 filling profile and observed in other unattended passive neutron measurements can possibly be overcome using the approach presented.« less

  16. Laser mass spectrometric detection of extraterrestrial aromatic molecules: Mini-review and examination

    E-Print Network [OSTI]

    Zare, Richard N.

    Laser mass spectrometric detection of extraterrestrial aromatic molecules: MiniLafferty, Cornell University, Ithaca, NY, and approved May 20, 2008 (received for review February 28, 2008) Laser of organic compounds in extraterrestrial materials. Using microprobe two-step laser mass spectrometry ( L2MS

  17. Beam Physics at LHC

    E-Print Network [OSTI]

    Evans, Lyndon R

    2003-01-01

    The design of the Large Hadron Collider incorporates the accumulated knowledge obtained from previous generations of hadron colliders. Among the well known effects limiting machine performance are intrabeam scattering, the beam-beam interaction and stability against collective motion. Simulations and recent experiments in the SPS have shown that the electron cloud effect observed in the B-factories will be present both in the LHC and in its injector. All of these phenomena are discussed together with the measure taken in the machine design to overcome them.

  18. Interpretation of snow properties from imaging spectrometry Jeff Dozier a,

    E-Print Network [OSTI]

    Kurapov, Alexander

    Interpretation of snow properties from imaging spectrometry Jeff Dozier a, , Robert O. Green b in revised form 11 June 2007 Accepted 27 July 2007 Available online xxxx Keywords: Snow Remote sensing Imaging spectrometry Snow is among the most "colorful" materials in nature, but most of the variability

  19. Attenuation of Beaming Oscillations Near Neutron Stars

    E-Print Network [OSTI]

    M. Coleman Miller

    2000-07-17

    Observations with RXTE have revealed kilohertz quasi-periodic brightness oscillations (QPOs) from nearly twenty different neutron-star low-mass X-ray binaries (LMXBs). These frequencies often appear as a pair of kilohertz QPOs in a given power density spectrum. In many models the higher-frequency of these QPOs is a beaming oscillation at the frequency of a nearly circular orbit at some radius near the neutron star. In such models it is expected that there will also be beaming oscillations at the stellar spin frequency and at overtones of the orbital frequency, but no strong QPOs have been detected at these frequencies. We therefore examine the processes that can attenuate beaming oscillations near neutron stars, and in doing so extend the work on this subject that was initiated by the discovery of lower-frequency QPOs from LMXBs. Among our main results are (1)in a spherical scattering cloud, all overtones of rotationally modulated beaming oscillations are attenuated strongly, not just the even harmonics, and (2)it is possible to have a relatively high-amplitude modulation near the star at, e.g., the stellar spin frequency, even if no peak at that frequency is detectable in a power density spectrum taken at infinity. We discuss the application of these results to modeling of kilohertz QPOs.

  20. Pathway confirmation and flux analysis of central metabolicpathways in Desulfovibrio vulgaris Hildenborough using gaschromatography-mass spectrometry and fourier transform-ion cyclotronresonance mass spectrometry

    SciTech Connect (OSTI)

    Tang, Yinjie; Pingitore, Francesco; Mukhopadhyay, Aindrila; Phan,Richard; Hazen, Terry C.; Keasling, Jay D.

    2006-07-11

    It has been proposed that during growth under anaerobic oroxygen-limited conditions Shewanella oneidensis MR-1 uses theserine-isocitrate lyase pathway common to many methylotrophic anaerobes,in which formaldehyde produced from pyruvate is condensed with glycine toform serine. The serine is then transformed through hydroxypyruvate andglycerate to enter central metabolism at phosphoglycerate. To examine itsuse of the serine-isocitrate lyase pathway under anaerobic conditions, wegrew S. oneidensis MR-1 on [1-13C]lactate as the sole carbon source witheither trimethylamine N-oxide (TMAO) or fumarate as an electron acceptor.Analysis of cellular metabolites indicates that a large percentage(>75 percent) of lactate was partially oxidized to either acetate orpyruvate. The 13C isotope distributions in amino acids and other keymetabolites indicate that, under anaerobic conditions, a complete serinepathway is not present, and lactate is oxidized via a highly reversibleserine degradation pathway. The labeling data also suggest significantactivity in the anaplerotic (malic enzyme and phosphoenolpyruvatecarboxylase) and glyoxylate shunt (isocitrate lyase and malate synthase)reactions. Although the tricarboxylic acid (TCA) cycle is often observedto be incomplete in many other anaerobes (absence of 2-oxoglutaratedehydrogenase activity), isotopic labeling supports the existence of acomplete TCA cycle in S. oneidensis MR-1 under TMAO reductioncondition.

  1. Pathway confirmation and flux analysis of central metabolic pathways in Desulfovibrio vulgaris Hildenborough using gas chromatography-mass spectrometry and fourier transform-ion cyclotron resonance mass spectrometry

    E-Print Network [OSTI]

    Tang, Yinjie

    2010-01-01

    the second flow into gluconeogenesis and the PP pathway; andBiomass (Phe, Tyr, Trp) Gluconeogenesis Biomass (Ser, Gly,

  2. Electron beam dynamics for the ISIS bremsstrahlung beam generation system

    E-Print Network [OSTI]

    Block, Robert E. (Robert Edward)

    2011-01-01

    An electron beam transport system was designed for use in the Bremsstrahlung Beam Generation System of the Integrated Stand-off Inspection System (ISIS). The purpose of this electron transport system was to provide for ...

  3. Quark Masses

    SciTech Connect (OSTI)

    Gasser, Juerg

    2005-10-26

    In my talk, I reviewed some basic aspects of quark masses: what do they mean, how can they be determined, what is our present knowledge on them. The talk was addressed to non specialists in the field, and so is this write up.

  4. Colliding beams of light

    E-Print Network [OSTI]

    B. V. Ivanov

    2002-12-28

    The stationary gravitational field of two identical counter-moving beams of pure radiation is found in full generality. The solution depends on an arbitrary function and a parameter which sets the scale of the energy density. Some of its properties are studied. Previous particular solutions are derived as subcases.

  5. Pulsed ion beam source

    DOE Patents [OSTI]

    Greenly, J.B.

    1997-08-12

    An improved pulsed ion beam source is disclosed having a new biasing circuit for the fast magnetic field. This circuit provides for an initial negative bias for the field created by the fast coils in the ion beam source which pre-ionize the gas in the source, ionize the gas and deliver the gas to the proper position in the accelerating gap between the anode and cathode assemblies in the ion beam source. The initial negative bias improves the interaction between the location of the nulls in the composite magnetic field in the ion beam source and the position of the gas for pre-ionization and ionization into the plasma as well as final positioning of the plasma in the accelerating gap. Improvements to the construction of the flux excluders in the anode assembly are also accomplished by fabricating them as layered structures with a high melting point, low conductivity material on the outsides with a high conductivity material in the center. 12 figs.

  6. Beam current sensor

    DOE Patents [OSTI]

    Kuchnir, M.; Mills, F.E.

    1984-09-28

    A current sensor for measuring the dc component of a beam of charged particles employs a superconducting pick-up loop probe, with twisted superconducting leads in combination with a Superconducting Quantum Interference Device (SQUID) detector. The pick-up probe is in the form of a single-turn loop, or a cylindrical toroid, through which the beam is directed and within which a first magnetic flux is excluded by the Meisner effect. The SQUID detector acts as a flux-to-voltage converter in providing a current to the pick-up loop so as to establish a second magnetic flux within the electrode which nulls out the first magnetic flux. A feedback voltage within the SQUID detector represents the beam current of the particles which transit the pick-up loop. Meisner effect currents prevent changes in the magnetic field within the toroidal pick-up loop and produce a current signal independent of the beam's cross-section and its position within the toroid, while the combination of superconducting elements provides current measurement sensitivities in the nano-ampere range.

  7. Mass Chain Evaluation for A=95

    SciTech Connect (OSTI)

    Basu, S.K.; Sonzogni, A.; Basu, Swapan Kr.; Mukherjee, Gopal; Sonzogni, A. A.

    2011-08-01

    A full evaluation of the mass chain A = 95 has been done in the ENSDF format taking into account all the available data until June 2009. Excited states populated by in-beam nuclear reactions and by radioactive decay have been considered. The 'evp' editor, developed at the NNDC, has been used for the evaluation. This mass chain was last evaluated in 1993. Many new and improved data were reported since then. A total of 13 nuclei have been evaluated.

  8. The Cooling of Particle Beams

    E-Print Network [OSTI]

    Sessler, Andrew M.

    2008-01-01

    67, 15. Hangst, J "Laser Cooling of a Stored Ion Beam - ATheorem an.d Phase Space Cooling", Proceedings of theWorkshop on Beam Cooling and Related Topics, Montreaux, CERN

  9. Hadron beams session-summary

    SciTech Connect (OSTI)

    Terwilliger, K.M. (University of Michigan, Ann Arbor, MI 48109-1120, USA (US))

    1989-05-05

    The status of presently operating polarized beams at Fermilab, the AGS, and KEK is discussed. Other schemes such as Siberian Snakes and self-polarization of a beam in situ are briefly analyzed.(AIP)

  10. Laser beam pulse formatting method

    DOE Patents [OSTI]

    Daly, T.P.; Moses, E.I.; Patterson, R.W.; Sawicki, R.H.

    1994-08-09

    A method for formatting a laser beam pulse using one or more delay loops is disclosed. The delay loops have a partially reflective beam splitter and a plurality of highly reflective mirrors arranged such that the laser beam pulse enters into the delay loop through the beam splitter and circulates therein along a delay loop length defined by the mirrors. As the laser beam pulse circulates within the delay loop a portion thereof is emitted upon each completed circuit when the laser beam pulse strikes the beam splitter. The laser beam pulse is thereby formatted into a plurality of sub-pulses. The delay loops are used in combination to produce complex waveforms by combining the sub-pulses using additive waveform synthesis. 8 figs.

  11. Method and apparatuses for ion cyclotron spectrometry

    DOE Patents [OSTI]

    Dahl, David A. (Idaho Falls, ID); Scott, Jill R. (Idaho Falls, ID); McJunkin, Timothy R. (Idaho Falls, ID)

    2012-03-06

    An ion cyclotron spectrometer may include a vacuum chamber that extends at least along a z-axis and means for producing a magnetic field within the vacuum chamber so that a magnetic field vector is generally parallel to the z-axis. The ion cyclotron spectrometer may also include means for producing a trapping electric field within the vacuum chamber. The trapping electric field may comprise a field potential that, when taken in cross-section along the z-axis, includes at least one section that is concave down and at least one section that is concave up so that ions traversing the field potential experience a net magnetron effect on a cyclotron frequency of the ions that is substantially equal to zero. Other apparatuses and a method for performing ion cyclotron spectrometry are also disclosed herein.

  12. Ion Mobility Spectrometer / Mass Spectrometer (IMS-MS).

    SciTech Connect (OSTI)

    Hunka, Deborah E; Austin, Daniel

    2005-10-01

    The use of Ion Mobility Spectrometry (IMS)in the Detection of Contraband Sandia researchers use ion mobility spectrometers for trace chemical detection and analysis in a variety of projects and applications. Products developed in recent years based on IMS-technology include explosives detection personnel portals, the Material Area Access (MAA) checkpoint of the future, an explosives detection vehicle portal, hand-held detection systems such as the Hound and Hound II (all 6400), micro-IMS sensors (1700), ordnance detection (2500), and Fourier Transform IMS technology (8700). The emphasis to date has been on explosives detection, but the detection of chemical agents has also been pursued (8100 and 6400).Combining Ion Mobility Spectrometry (IMS) with Mass Spectrometry (MS)The IMS-MS combination overcomes several limitations present in simple IMS systems. Ion mobility alone is insufficient to identify an unknown chemical agent. Collision cross section, upon which mobility is based, is not sufficiently unique or predictable a priori to be able to make a confident peak assignment unless the compounds present are already identified. Molecular mass, on the other hand, is much more readily interpreted and related to compounds. For a given compound, the molecular mass can be determined using a pocket calculator (or in one's head) while a reasonable value of the cross-section might require hours of computation time. Thus a mass spectrum provides chemical specificity and identity not accessible in the mobility spectrum alone. In addition, several advanced mass spectrometric methods, such as tandem MS, have been extensively developed for the purpose of molecular identification. With an appropriate mass spectrometer connected to an ion mobility spectrometer, these advanced identification methods become available, providing greater characterization capability.3 AcronymsIMSion mobility spectrometryMAAMaterial Access AreaMSmass spectrometryoaTOForthogonal acceleration time-of-flightTOFtime-of-flight4

  13. Nanofabrication using focused ion beam

    E-Print Network [OSTI]

    Latif, Adnan

    Focused ion beam (FIB) technique uses a focused beam of ions to scan the surface of a specimen, analogous to the way scanning electron microscope (SEM) utilizes electrons. Recent developments in the FIB technology have led to beam spot size below...

  14. Excitation of kinetic Alfvén waves by fast electron beams

    SciTech Connect (OSTI)

    Chen, L.; Wu, D. J.; Zhao, G. Q. [Purple Mountain Observatory, CAS, Nanjing (China); Tang, J. F. [Xinjiang Astronomical Observatory, CAS, Urumqi 830011 (China); Huang, J., E-mail: clvslc214@pmo.ac.cn, E-mail: djwu@pmo.ac.cn, E-mail: gqzhao@pmo.ac.cn, E-mail: jftang@xao.ac.cn, E-mail: huangj@bao.ac.cn [Key Laboratory of Solar Activity, National Astronomical Observatories, Chinese Academy of Sciences, Beijing (China)

    2014-09-20

    Energetic electron beams, which are ubiquitous in a large variety of active phenomena in space and astrophysical plasmas, are one of the most important sources that drive plasma instabilities. In this paper, taking account of the return-current effect of fast electron beams, kinetic Alfvén wave (KAW) instability driven by a fast electron beam is investigated in a finite-? plasma of Q < ? < 1 (where ? is the kinetic-to-magnetic pressure ratio and Q ? m{sub e} /m{sub i} is the mass ratio of electrons to ions). The results show that the kinetic resonant interaction of beam electrons is the driving source for KAW instability, unlike the case driven by a fast ion beam, where both the kinetic resonant interaction of beam ions and the return-current are the driving source for the KAW instability. KAW instability has a nonzero growth rate in the range of the perpendicular wave number, 0beam v{sub b} , and the most favorable beam velocity occurs between 8v{sub A} < v{sub b} < 10v{sub A} . On the other hand, the excited KAWs are weakly dispersive with k ? {sub i} < 1 and have the maximum growth rate at relatively low perpendicular wave numbers in the range 0.3beam velocity v{sub b} < 10v{sub A} . A possible application to the upward electron beams in the terrestrial magnetosphere is briefly discussed.

  15. Subcellular-level resolution MALDI-MS imaging of maize leaf metabolites by MALDI-linear ion trap-Orbitrap mass spectrometer

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Korte, Andrew R.; Yandeau-Nelson, Marna D.; Nikolau, Basil J.; Lee, Young Jin

    2015-01-25

    A significant limiting factor in achieving high spatial resolution for matrix-assisted laser desorption ionization-mass spectrometry (MALDI-MS) imaging is the size of the laser spot at the sample surface. We present modifications to the beam-delivery optics of a commercial MALDI-linear ion trap-Orbitrap instrument, incorporating an external Nd:YAG laser, beam-shaping optics, and an aspheric focusing lens, to reduce the minimum laser spot size from ~50 ?m for the commercial configuration down to ~9 ?m for the modified configuration. This improved system was applied for MALDI-MS imaging of cross sections of juvenile maize leaves at 5-?m spatial resolution using an oversampling method. Theremore »are a variety of different metabolites including amino acids, glycerolipids, and defense-related compounds were imaged at a spatial resolution well below the size of a single cell. Such images provide unprecedented insights into the metabolism associated with the different tissue types of the maize leaf, which is known to asymmetrically distribute the reactions of C4 photosynthesis among the mesophyll and bundle sheath cell types. The metabolite ion images correlate with the optical images that reveal the structures of the different tissues, and previously known and newly revealed asymmetric metabolic features are observed.« less

  16. Recent advances of strong-strong beam-beam simulation

    SciTech Connect (OSTI)

    Qiang, Ji; Furman, Miguel A.; Ryne, Robert D.; Fischer, Wolfram; Ohmi,Kazuhito

    2004-09-15

    In this paper, we report on recent advances in strong-strong beam-beam simulation. Numerical methods used in the calculation of the beam-beam forces are reviewed. A new computational method to solve the Poisson equation on nonuniform grid is presented. This method reduces the computational cost by a half compared with the standard FFT based method on uniform grid. It is also more accurate than the standard method for a colliding beam with low transverse aspect ratio. In applications, we present the study of coherent modes with multi-bunch, multi-collision beam-beam interactions at RHIC. We also present the strong-strong simulation of the luminosity evolution at KEKB with and without finite crossing angle.

  17. Cryogenic Beam Loss Monitors for the Superconducting Magnets of the LHC

    E-Print Network [OSTI]

    Bartosik, MR; Sapinski, M; Kurfuerst, C; Griesmayer, E; Eremin, V; Verbitskaya, E

    2014-01-01

    The Beam Loss Monitor detectors close to the interaction points of the Large Hadron Collider are currently located outside the cryostat, far from the superconducting coils of the magnets. In addition to their sensitivity to lost beam particles, they also detect particles coming from the experimental collisions, which do not contribute significantly to the heat deposition in the superconducting coils. In the future, with beams of higher energy and brightness resulting in higher luminosity, distinguishing between these interaction products and dangerous quench-provoking beam losses from the primary proton beams will be challenging. The system can be optimised by locating beam loss monitors as close as possible to the superconducting coils, inside the cold mass in a superfluid helium environment, at 1.9 K. The dose then measured by such Cryogenic Beam Loss Monitors would more precisely correspond to the real dose deposited in the coil. The candidates under investigation for such detectors are based on p+-n-n+ si...

  18. High-energy accelerator for beams of heavy ions

    DOE Patents [OSTI]

    Martin, Ronald L. (La Grange, IL); Arnold, Richard C. (Chicago, IL)

    1978-01-01

    An apparatus for accelerating heavy ions to high energies and directing the accelerated ions at a target comprises a source of singly ionized heavy ions of an element or compound of greater than 100 atomic mass units, means for accelerating the heavy ions, a storage ring for accumulating the accelerated heavy ions and switching means for switching the heavy ions from the storage ring to strike a target substantially simultaneously from a plurality of directions. In a particular embodiment the heavy ion that is accelerated is singly ionized hydrogen iodide. After acceleration, if the beam is of molecular ions, the ions are dissociated to leave an accelerated singly ionized atomic ion in a beam. Extraction of the beam may be accomplished by stripping all the electrons from the atomic ion to switch the beam from the storage ring by bending it in magnetic field of the storage ring.

  19. HIGHLY COMPRESSED ION BEAMS FOR HIGH ENERGY DENSITY SCIENCE

    E-Print Network [OSTI]

    Wurtele, Jonathan

    HIGHLY COMPRESSED ION BEAMS FOR HIGH ENERGY DENSITY SCIENCE A. Friedman1,2 , J.J.Barnard1,2 , R Energy Density regimes required for Inertial Fu- sion Energy and other applications. An interim goal we are pursuing, low to medium mass ions with energies just above the Bragg peak are directed onto

  20. Method of trivalent chromium concentration determination by atomic spectrometry

    DOE Patents [OSTI]

    Reheulishvili, Aleksandre N. (Tbilisi, 0183, GE); Tsibakhashvili, Neli Ya. (Tbilisi, 0101, GE)

    2006-12-12

    A method is disclosed for determining the concentration of trivalent chromium Cr(III) in a sample. The addition of perchloric acid has been found to increase the atomic chromium spectrometric signal due to Cr(III), while leaving the signal due to hexavalent chromium Cr(VI) unchanged. This enables determination of the Cr(III) concentration without pre-concentration or pre-separation from chromium of other valences. The Cr(III) concentration may be measured using atomic absorption spectrometry, atomic emission spectrometry or atomic fluorescence spectrometry.

  1. Ion beam generating apparatus

    DOE Patents [OSTI]

    Brown, Ian G. (1088 Woodside Rd., Berkeley, CA 94708); Galvin, James (2 Commodore #276, Emeryville, CA 94608)

    1987-01-01

    An ion generating apparatus utilizing a vacuum chamber, a cathode and an anode in the chamber. A source of electrical power produces an arc or discharge between the cathode and anode. The arc is sufficient to vaporize a portion of the cathode to form a plasma. The plasma is directed to an extractor which separates the electrons from the plasma, and accelerates the ions to produce an ion beam.

  2. Ion beam generating apparatus

    DOE Patents [OSTI]

    Brown, I.G.; Galvin, J.

    1987-12-22

    An ion generating apparatus utilizing a vacuum chamber, a cathode and an anode in the chamber. A source of electrical power produces an arc or discharge between the cathode and anode. The arc is sufficient to vaporize a portion of the cathode to form a plasma. The plasma is directed to an extractor which separates the electrons from the plasma, and accelerates the ions to produce an ion beam. 10 figs.

  3. Stationary nonlinear Airy beams

    SciTech Connect (OSTI)

    Lotti, A.; Faccio, D.; Couairon, A.; Papazoglou, D. G.; Panagiotopoulos, P.; Tzortzakis, S.; Abdollahpour, D.

    2011-08-15

    We demonstrate the existence of an additional class of stationary accelerating Airy wave forms that exist in the presence of third-order (Kerr) nonlinearity and nonlinear losses. Numerical simulations and experiments, in agreement with the analytical model, highlight how these stationary solutions sustain the nonlinear evolution of Airy beams. The generic nature of the Airy solution allows extension of these results to other settings, and a variety of applications are suggested.

  4. Proton beam therapy facility

    SciTech Connect (OSTI)

    Not Available

    1984-10-09

    It is proposed to build a regional outpatient medical clinic at the Fermi National Accelerator Laboratory (Fermilab), Batavia, Illinois, to exploit the unique therapeutic characteristics of high energy proton beams. The Fermilab location for a proton therapy facility (PTF) is being chosen for reasons ranging from lower total construction and operating costs and the availability of sophisticated technical support to a location with good access to patients from the Chicago area and from the entire nation. 9 refs., 4 figs., 26 tabs.

  5. Nondestructive Damage Detection in General Beams 

    E-Print Network [OSTI]

    Dincal, Selcuk

    2010-12-08

    is to provide NDE methodologies that simultaneously identify the location, the extent, and the severity of damage in general beams. By general beams, we mean beyond Euler-Bernoulli beams (i.e. slender beams) to deep beams and stubby beams whose response may...

  6. Beam/Jet Trajectories April 1, 2009

    E-Print Network [OSTI]

    McDonald, Kirk

    Beam/Jet Trajectories April 1, 2009 #12;Hg Jet Target Geometry Solenoid Axis Hg Jet Proton Beam BEAM CROSS rJET Previous results: Radius 5mm, beam =67mrad crossing = 33mrad #12;Optimized Target Energy, GeV Optimized Target Radius #12;Beam Angle and Jet/Beam Crossing Angle 0 20 40 60 80 100 120 140

  7. Physics with Rare Isotope Beams

    SciTech Connect (OSTI)

    Segel, Ralph E. [Northwestern University] [Northwestern University

    2013-11-08

    Using stable and radioactive beams provided by ATLAS nuclear reactions of special interest in astrophysics have been studied with emphasis on breakout from the hot CNO cycle to the rp-process. The masses of nuclear fragments provided by a strong fission source have been measured in order to help trace the path of the r process. 8Li ions produced by the d(7Li,8Li)n reaction have been trapped and the electrons and alphas emitted in the ensuing beta-decay measured. The neutrino directions were therefore determined, which leads to a measurement of the electron-neutrino correlation. The energies and kinematics are such that a sensitive search for any tensor admixture could be performed and an upper limit of 0.6% was placed on any such admixture. Earlier work on the electromagnetic form factors of the proton was extended. Graduate students were active participants in all of these eperiments, which formed the basis for six PhD theses.

  8. Compact mass spectrometer for plasma discharge ion analysis

    DOE Patents [OSTI]

    Tuszewski, Michel G. (Los Alamos, NM)

    1997-01-01

    A mass spectrometer and methods for mass spectrometry which are useful in characterizing a plasma. This mass spectrometer for determining type and quantity of ions present in a plasma is simple, compact, and inexpensive. It accomplishes mass analysis in a single step, rather than the usual two-step process comprised of ion extraction followed by mass filtering. Ions are captured by a measuring element placed in a plasma and accelerated by a known applied voltage. Captured ions are bent into near-circular orbits by a magnetic field such that they strike a collector, producing an electric current. Ion orbits vary with applied voltage and proton mass ratio of the ions, so that ion species may be identified. Current flow provides an indication of quantity of ions striking the collector.

  9. Compact mass spectrometer for plasma discharge ion analysis

    DOE Patents [OSTI]

    Tuszewski, M.G.

    1997-07-22

    A mass spectrometer and methods are disclosed for mass spectrometry which are useful in characterizing a plasma. This mass spectrometer for determining type and quantity of ions present in a plasma is simple, compact, and inexpensive. It accomplishes mass analysis in a single step, rather than the usual two-step process comprised of ion extraction followed by mass filtering. Ions are captured by a measuring element placed in a plasma and accelerated by a known applied voltage. Captured ions are bent into near-circular orbits by a magnetic field such that they strike a collector, producing an electric current. Ion orbits vary with applied voltage and proton mass ratio of the ions, so that ion species may be identified. Current flow provides an indication of quantity of ions striking the collector. 7 figs.

  10. Fast beam studies of free radical photodissociation

    SciTech Connect (OSTI)

    Neumark, D.M. [Lawrence Berkeley Laboratory, CA (United States)

    1993-12-01

    The authors have developed a novel technique for studying the photodissociation spectroscopy and dynamics of free radicals. In these experiments, radicals are generated by laser photodetachment of a fast (6-8 keV) mass-selected negative ion beam. The resulting radicals are photodissociated with a second laser, and the photofragments are collected and detected with high efficiency using a microchannel plate detector. The overall process is: ABC{sup -} {yields} ABC + e{sup -} {yields} A + BC, AB + C. Two types of fragment detection schemes are used. To map out the photodissociation cross-section of the radical, the photodissociation laser is scanned and the total photofragment yield is measured as a function of wavelength. In other experiments, the photodissociation frequency is fixed and the photofragment masses, kinetic energy release, and scattering angle is determined for each photodissociation event.

  11. Plasma-beam traps and radiofrequency quadrupole beam coolers

    SciTech Connect (OSTI)

    Maggiore, M., E-mail: mario.maggiore@lnl.infn.it; Cavenago, M.; Comunian, M.; Chirulotto, F.; Galatà, A.; De Lazzari, M.; Porcellato, A. M.; Roncolato, C.; Stark, S. [INFN-LNL, viale dell’Università 2, 35020 Legnaro (Italy)] [INFN-LNL, viale dell’Università 2, 35020 Legnaro (Italy); Caruso, A.; Longhitano, A. [INFN-LNS, via S. Sofia 54, 95123 Catania (Italy)] [INFN-LNS, via S. Sofia 54, 95123 Catania (Italy); Cavaliere, F.; Maero, G.; Paroli, B.; Pozzoli, R.; Romé, M. [INFN Sezione di Milano and Dipartimento di Fisica, Università degli Studi di Milano, via Celoria 16, 20133 Milano (Italy)] [INFN Sezione di Milano and Dipartimento di Fisica, Università degli Studi di Milano, via Celoria 16, 20133 Milano (Italy)

    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.

  12. First test of BNL electron beam ion source with high current density electron beam

    SciTech Connect (OSTI)

    Pikin, Alexander Alessi, James G. Beebe, Edward N.; Shornikov, Andrey; Mertzig, Robert; Wenander, Fredrik; Scrivens, Richard

    2015-01-09

    A new electron gun with electrostatic compression has been installed at the Electron Beam Ion Source (EBIS) Test Stand at BNL. This is a collaborative effort by BNL and CERN teams with a common goal to study an EBIS with electron beam current up to 10 A, current density up to 10,000 A/cm{sup 2} and energy more than 50 keV. Intensive and pure beams of heavy highly charged ions with mass-to-charge ratio < 4.5 are requested by many heavy ion research facilities including NASA Space Radiation Laboratory (NSRL) at BNL and HIE-ISOLDE at CERN. With a multiampere electron gun, the EBIS should be capable of delivering highly charged ions for both RHIC facility applications at BNL and for ISOLDE experiments at CERN. Details of the electron gun simulations and design, and the Test EBIS electrostatic and magnetostatic structures with the new electron gun are presented. The experimental results of the electron beam transmission are given.

  13. Ion Beam Materials Lab

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    AFDC Printable Version Share this resource Send a link to EERE: Alternative Fuels Data Center Home Page to someone by E-mail Share EERE: Alternative Fuels Data Center Home Page on Facebook Tweet about EERE: Alternative Fuels Data Center Home Page on Twitter Bookmark EERE: Alternative Fuels Data Center Homesum_a_epg0_fpd_mmcf_m.xls" ,"Available from WebQuantity of NaturalDukeWakefieldSulfateSciTechtail.Theory ofDid you notHeat Pumps Heat PumpsfacilityviaGasforVendors »Ion Beam

  14. The ELENA Beam Diagnostics Systems

    E-Print Network [OSTI]

    Tranquille, G

    2013-01-01

    The Extra Low ENergy Antiproton ring (ELENA) to be built at CERN is aimed at substantially increasing the number of antiprotons to the low energy antiproton physics community. It will be a small machine which will decelerate low intensity beams (electron cooler to avoid beam losses during the deceleration and to significantly reduce beam phase space at extraction. To measure the beam parameters from the extraction point of the Antiproton Decelerator (AD), through the ELENA ring and all the way to the experiments, many systems will be needed to ensure that the desired beam characteristics are obtained. Particular attention needs to be paid to the performance of the electron cooler which depends on reliable instrumentation in order to efficiently cool the antiprotons. This contribution will present the different monitors that have been proposed to measure the various beam parameters as well as some of the developments going on to further improve th...

  15. Electron beam diagnostic for space charge measurement of an ion beam

    E-Print Network [OSTI]

    2004-01-01

    Electron beam diagnostic for space charge measurement of annon-perturbing electron beam diagnostic system for measuringnon intercepting electron beam diagnostic system consists of

  16. Electron-beam diagnostic for space-charge measurement of an ion beam

    E-Print Network [OSTI]

    2003-01-01

    76, 023301 (2005) Electron-beam diagnostic for space-chargenonperturbing electron-beam diagnostic system for measuring8. (Color online). Electron-beam diagnostic, as installed in

  17. Electron beam diagnostic for space charge measurement of an ion beam

    E-Print Network [OSTI]

    2004-01-01

    Electron beam diagnostic for space charge measurement of anAbstract A non-perturbing electron beam diagnostic systemlow energy, low current electron beam is swept transversely

  18. Electron-beam diagnostic for space-charge measurement of an ion beam

    E-Print Network [OSTI]

    2003-01-01

    76, 023301 (2005) Electron-beam diagnostic for space-charge2005) A nonperturbing electron-beam diagnostic system forlow energy, low current electron beam is swept transversely

  19. Beam characterization by wavefront sensor

    DOE Patents [OSTI]

    Neal, D.R.; Alford, W.J.; Gruetzner, J.K.

    1999-08-10

    An apparatus and method are disclosed for characterizing an energy beam (such as a laser) with a two-dimensional wavefront sensor, such as a Shack-Hartmann lenslet array. The sensor measures wavefront slope and irradiance of the beam at a single point on the beam and calculates a space-beamwidth product. A detector array such as a charge coupled device camera is preferably employed. 21 figs.

  20. Beam characterization by wavefront sensor

    DOE Patents [OSTI]

    Neal, Daniel R. (17 Eric Alan Lane, Tijeras, NM 87059); Alford, W. J. (3455 Tahoe, N.E., Albuquerque, NM 87111); Gruetzner, James K. (9407 Shoehone, N.E., Albuquerque, NM 87111)

    1999-01-01

    An apparatus and method for characterizing an energy beam (such as a laser) with a two-dimensional wavefront sensor, such as a Shack-Hartmann lenslet array. The sensor measures wavefront slope and irradiance of the beam at a single point on the beam and calculates a space-beamwidth product. A detector array such as a charge coupled device camera is preferably employed.

  1. International Journal of Mass Spectrometry 267 (2007) 8997 One-photon mass-analyzed threshold ionization spectroscopy (MATI)

    E-Print Network [OSTI]

    Kim, Myung Soo

    2007-01-01

    ionization (MATI) spectrum of cis-C2H2Cl2 was obtained by using vacuum ultravio- let radiation generated in the spectrum was 9.6578 ± 0.0006 eV. Ten vibrational fundamentals for the cation were identified. Most are ionized by electric field pulse. ZEKE and MATI spectra are obtained by recording the electron and ion

  2. Expanding the toolbox of tandem mass spectrometry with algorithms to identify mass spectra from more than one peptide

    E-Print Network [OSTI]

    Wang, Jian

    statistical signi?cance of PSM, we propose to extend the MS-for a Peptide-spectrum-match (PSM) as the sum of scores ofPPSM is converted into a PSM by considering the ?rst peptide

  3. Broad-band beam buncher

    DOE Patents [OSTI]

    Goldberg, David A. (Walnut Creek, CA); Flood, William S. (Berkeley, CA); Arthur, Allan A. (Martinez, CA); Voelker, Ferdinand (Orinda, CA)

    1986-01-01

    A broad-band beam buncher is disclosed, comprising an evacuated housing, an electron gun therein for producing an electron beam, a buncher cavity having entrance and exit openings through which the beam is directed, grids across such openings, a source providing a positive DC voltage between the cavity and the electron gun, a drift tube through which the electron beam travels in passing through such cavity, grids across the ends of such drift tube, gaps being provided between the drift tube grids and the entrance and exit grids, a modulator for supplying an ultrahigh frequency modulating signal to the drift tube for producing velocity modulation of the electrons in the beam, a drift space in the housing through which the velocity modulated electron beam travels and in which the beam is bunched, and a discharge opening from such drift tube and having a grid across such opening through which the bunched electron beam is discharged into an accelerator or the like. The buncher cavity and the drift tube may be arranged to constitute an extension of a coaxial transmission line which is employed to deliver the modulating signal from a signal source. The extended transmission line may be terminated in its characteristic impedance to afford a broad-band response and the device as a whole designed to effect broad-band beam coupling, so as to minimize variations of the output across the response band.

  4. RadiaBeam PPT template

    Office of Environmental Management (EM)

    718 to 316 SS) Applications in nuclear (fission and fusion) and concentrated solar power components (DOE Nuclear Energy Phase III (DE-SC0011826)) RadiaBeam-led...

  5. Accelerators, Beams And Physical Review Special Topics - Accelerators And Beams

    SciTech Connect (OSTI)

    Siemann, R.H.; /SLAC

    2011-10-24

    Accelerator science and technology have evolved as accelerators became larger and important to a broad range of science. Physical Review Special Topics - Accelerators and Beams was established to serve the accelerator community as a timely, widely circulated, international journal covering the full breadth of accelerators and beams. The history of the journal and the innovations associated with it are reviewed.

  6. Properties of Inconel 625 Mesh Structures Grown by Electron Beam Additive Manufacturing

    SciTech Connect (OSTI)

    List III, Frederick Alyious [ORNL; Dehoff, Ryan R [ORNL; Lowe, Larry E [ORNL; Sames, William J [ORNL

    2014-01-01

    Relationships between electron beam parameters (beam current, beam speed, and beam focus) and physical properties (mass, diameter, elastic modulus, and yield strength) have been investigated for Inconel 625 mesh cubes fabricated using an additive manufacturing technology based on electron beam melting. The elastic modulus and yield strength of the mesh cubes have been systematically varied by approximately a factor of ten by changing the electron beam parameters. Simple models have been used to understand better these relationships. Structural anisotropies of the mesh associated with the layered build architecture have been observed and may contribute, along with microstructural anisotropies, to the anisotropic mechanical properties of the mesh. Knowledge of this kind is likely applicable to other metal and alloy systems and is essential to rapidly realize the full potential of this burgeoning technology.

  7. Tuning the beam: a physics perspective on beam diagnostic instrumentation

    SciTech Connect (OSTI)

    Gulley, Mark S [Los Alamos National Laboratory

    2010-01-01

    In a nutshell, the role of a beam diagnostic measurement is to provide information needed to get a particle beam from Point A (injection point) to Point B (a target) in a useable condition, with 'useable' meaning the right energy and size and with acceptable losses. Specifications and performance requirements of diagnostics are based on the physics of the particle beam to be measured, with typical customers of beam parameter measurements being the accelerator operators and accelerator physicists. This tutorial will be a physics-oriented discussion of the interplay between tuning evolutions and the beam diagnostics systems that support the machine tune. This will include the differences between developing a tune and maintaining a tune, among other things. Practical longitudinal and transverse tuning issues and techniques from a variety of proton and electron machines will also be discussed.

  8. Molecular-beam scattering

    SciTech Connect (OSTI)

    Vernon, M.F.

    1983-07-01

    The molecular-beam technique has been used in three different experimental arrangements to study a wide range of inter-atomic and molecular forces. Chapter 1 reports results of a low-energy (0.2 kcal/mole) elastic-scattering study of the He-Ar pair potential. The purpose of the study was to accurately characterize the shape of the potential in the well region, by scattering slow He atoms produced by expanding a mixture of He in N/sub 2/ from a cooled nozzle. Chapter 2 contains measurements of the vibrational predissociation spectra and product translational energy for clusters of water, benzene, and ammonia. The experiments show that most of the product energy remains in the internal molecular motions. Chapter 3 presents measurements of the reaction Na + HCl ..-->.. NaCl + H at collision energies of 5.38 and 19.4 kcal/mole. This is the first study to resolve both scattering angle and velocity for the reaction of a short lived (16 nsec) electronic excited state. Descriptions are given of computer programs written to analyze molecular-beam expansions to extract information characterizing their velocity distributions, and to calculate accurate laboratory elastic-scattering differential cross sections accounting for the finite apparatus resolution. Experimental results which attempted to determine the efficiency of optically pumping the Li(2/sup 2/P/sub 3/2/) and Na(3/sup 2/P/sub 3/2/) excited states are given. A simple three-level model for predicting the steady-state fraction of atoms in the excited state is included.

  9. Measurements of aperture and beam lifetime using movable beam scrapers in Indus-2 electron storage ring

    SciTech Connect (OSTI)

    Kumar, Pradeep; Ghodke, A. D.; Karnewar, A. K.; Holikatti, A. C.; Yadav, S.; Puntambekar, T. A.; Singh, G.; Singh, P.

    2013-12-15

    In this paper, the measurements of vertical and horizontal aperture which are available for stable beam motion in Indus-2 at beam energy 2.5 GeV using movable beam scrapers are presented. These beam scrapers are installed in one of the long straight sections in the ring. With the movement of beam scrapers towards the beam centre, the beam lifetime is measured. The beam lifetime data obtained from the movement of vertical and horizontal beam scrapers are analyzed. The contribution of beam loss due to beam-gas scattering (vacuum lifetime) and electron-electron scattering within a beam bunch (Touschek lifetime) is separated from the measured beam lifetime at different positions of the beam scrapers. Vertical and horizontal beam sizes at scrapers location are estimated from the scraper movement towards the beam centre in quantum lifetime limit and their values closely agree with measured value obtained using X-ray diagnostic beamline.

  10. Design and operational characteristics of a cast steel mass spectrometer

    SciTech Connect (OSTI)

    Blantocas, Gene Q.; Ramos, Henry J.; Wada, Motoi

    2004-09-01

    A cast steel magnetic sector mass analyzer is developed for studies of hydrogen and helium ion beams generated by a gas discharge compact ion source. The optimum induced magnetic flux density of 3500 G made it possible to scan the whole spectrum of hydrogen and helium ion species. Analysis of beam characteristics shows that the mass spectrometer sensitivity, and resolving power are approximately inversely proportional. The resolution is enhanced at higher pressures and lower current discharges. In contrast, the instrument sensitivity increased at higher current discharges and decreased at higher pressures. Calculations of the ultimate resolving power with reference to analyzer dimensions yield a numerical value of 30. System anomaly in the form of spherical aberrations was also analyzed using the paraxial beam envelope equation. Beam divergence is most significant at high discharge conditions where angular spread reaches an upper limit of 8.6 deg.

  11. Broad-band beam buncher

    DOE Patents [OSTI]

    Goldberg, D.A.; Flood, W.S.; Arthur, A.A.; Voelker, F.

    1984-03-20

    A broad-band beam bunther is disclosed, comprising an evacuated housing, an electron gun therein for producing an electron beam, a buncher cavity having entrance and exit openings through which the beam is directed, grids across such openings, a source providing a positive DC voltage between the cavity and the electron gun, a drift tube through which the electron beam travels in passing through such cavity, grids across the ends of such drift tube, gaps being provided between the drift tube grids and the entrance and exit grids, a modulator for supplying an ultrahigh frequency modulating signal to the drift tube for producing velocity modulation of the electrons in the beam, a drift space in the housing through which the velocity modulated electron beam travels and in which the beam is bunched, and a discharge opening from such drift tube and having a grid across such opening through which the bunched electron beam is discharged into an accelerator or the like. The buncher cavity and the drift tube may be arranged to constitute an extension of a coaxial transmission line which is employed to deliver the modulating signal from a signal source. The extended transmission line may be terminated in its characteristic impedance to afford a broad-

  12. Laser acceleration of ion beams

    E-Print Network [OSTI]

    I. A. Egorova; A. V. Filatov; A. V. Prozorkevich; S. A. Smolyansky; D. B. Blaschke; M. Chubaryan

    2007-02-01

    We consider methods of charged particle acceleration by means of high-intensity lasers. As an application we discuss a laser booster for heavy ion beams provided, e.g. by the Dubna nuclotron. Simple estimates show that a cascade of crossed laser beams would be necessary to provide additional acceleration to gold ions of the order of GeV/nucleon.

  13. Cancer Therapy with Particle Beams

    E-Print Network [OSTI]

    Olszewski Jr., Edward A.

    Cancer Therapy with Particle Beams #12;· The potential to use high energy particle beams to treat many types of cancer has been known even before their creation. · The availability of these treatments to be used in medicine, specifically for the treatment of certain cancers. His paper was published when

  14. Search for: All records | DOE PAGES

    Office of Scientific and Technical Information (OSTI)

    associated with Populus cell wall phenotypes determined independently using pyrolysis Molecular Beam Mass Spectrometry (pyMBMS), saccharification assay and wet chemistry...

  15. High-resolution genetic mapping of allelic variants associated...

    Office of Scientific and Technical Information (OSTI)

    associated with Populus cell wall phenotypes determined independently using pyrolysis Molecular Beam Mass Spectrometry (pyMBMS), saccharification assay and wet chemistry...

  16. Characterizing Pleiotropic Effects of Glucocorticoids in Mice Using Heavy Water Labeling and Mass Spectrometry

    E-Print Network [OSTI]

    Roohk, Donald Jason

    2011-01-01

    de novo lipogenesis: DNL; dual energy X-ray absorptiometry:analysis using dual energy X-ray absorptiometry (DEXA) andWT; dexamethasone: DEX; dual energy X-ray absorptiometry:

  17. A gas chromatography/combustion/isotope ratio mass spectrometry system for high-precision

    E-Print Network [OSTI]

    Fischer, Hubertus

    atmospheric composition can be reconstructed by the analysis of air enclosures in polar ice cores which

  18. A Mass Spectrometry Study of Isotope Separation in the Laser Plume

    E-Print Network [OSTI]

    Suen, Timothy Wu

    2012-01-01

    Treaty on the Non-Proliferation of Nuclear Weapons (NPT)”,for Nuclear Attribution and Non-Proliferation Applications”,of nuclear safeguards, as detailed in the Non-Proliferation

  19. Studies of Atmospheric Chemistry and Reaction Mechanisms Using Optical Spectroscopy and Mass Spectrometry

    E-Print Network [OSTI]

    Liu, Yingdi

    2011-01-01

    was controlled by a needle valve and passing through a waterpassing the water bubbler. By carefully control the needle valve,

  20. OpenMSI: A High-Performance Web-Based Platform for Mass Spectrometry Imaging

    E-Print Network [OSTI]

    Rubel, Oliver

    2014-01-01

    Research Scienti?c Computing Center (NERSC), Ecosystems and Networks Integrated with Genes and Molecular Assemblies (ENIGMA), and the Low Dose RadiationResearch Scientific Computing Center (NERSC), Ecosystems and Networks Integrated with Genes and Molecular Assemblies (ENIGMA), and the Low Dose Radiation

  1. Development and application of mass spectrometry-based metabolomics methods for disease biomarker identification

    E-Print Network [OSTI]

    Tong, Lily Victoria

    2008-01-01

    Human societies face diverse health challenges including a rapidly aging population, rising incidence of metabolic disease, and increasing antibiotic resistance. These problems involve complex interactions between genes ...

  2. Kinetics of laser pulse vaporization of uranium dioxide by mass spectrometry

    SciTech Connect (OSTI)

    Tsai, C.

    1981-11-01

    Safety analyses of nuclear reactors require knowledge of the evaporation behavior of UO/sub 2/ at temperatures well above the melting point of 3140 K. In this study, rapid transient heating of a small spot on a UO/sub 2/ specimen was accomplished by a laser pulse, which generates a surface temperature excursion. This in turn vaporizes the target surface and the gas expands into vacuum. The surface temperature transient was monitored by a fast-response automatic optical pyrometer. The maximum surface temperatures investigated range from approx. 3700 K to approx. 4300 K. A computer program was developed to simulate the laser heating process and calculate the surface temperature evolution. The effect of the uncertainties of the high temperature material properties on the calculation was included in a sensitivity study for UO/sub 2/ vaporization. The measured surface temperatures were in satisfactory agreements.

  3. Studies of Atmospheric Chemistry and Reaction Mechanisms Using Optical Spectroscopy and Mass Spectrometry

    E-Print Network [OSTI]

    Liu, Yingdi

    2011-01-01

    challenges in analytical chemistry of the atmosphere. Anal.amplification. Analytical Chemistry, 1984. 56(8): p.radical measurements. Analytical Chemistry, 1996. 68(23): p.

  4. Anthropogenic particulate source characterization and source apportionment using aerosol time-of-flight mass spectrometry

    E-Print Network [OSTI]

    Toner, Stephen Mark

    2007-01-01

    a portable ATOFMS, Analytical Chemistry, 69 (20), 4083-4091,the Troposphere, Analytical Chemistry, 69 (10), 1808-1814,portable ATOFMS, Analytical Chemistry , 69 (20), 4083-4091,

  5. Novel Analytical Methods for Examining Biomolecular Complexes Using Electrospray Ionization Mass Spectrometry

    E-Print Network [OSTI]

    Flick, Tawnya Grace

    2012-01-01

    Annual Review of Analytical Chemistry; Annual Reviews: PaloD. ; Aebersold, R. Analytical Chemistry 2000, 72, 1112-1118.S. ; Amster, I. J. Analytical Chemistry 2006, 78, 3417-3423.

  6. Concentrations and fluxes of atmospheric biogenic volatile organic compounds by proton transfer reaction mass spectrometry 

    E-Print Network [OSTI]

    Misztal, Pawel K.

    2010-01-01

    will be of value to the wider flux measurement community. A novel approach to determining the lag time between the vertical wind measurement and the air concentration measurement has been developed that will greatly reduce the uncertainty in the derived flux...

  7. Author's personal copy High-resolution mass spectrometry analysis of secondary

    E-Print Network [OSTI]

    Nizkorodov, Sergey

    -canopy pathway for SOA formation (Fuentes et al., 2007). The ozonolysis of isoprene has been the subject in the positive and negative ion mode spectra. Only a small fraction of peaks correspond to known products), formation of tetrols and polyfunctional acids in the presence of peroxides (Boege et al., 2006; Claeys et al

  8. Metabolomics relative quantitation with mass spectrometry using chemical derivatization and isotope labeling

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    O'Maille, Grace; Go, Eden P.; Hoang, Linh; Want, Elizabeth J.; Smith, Colin; O'Maille, Paul; NordstrÖm, Anders; Morita, Hirotoshi; Qin, Chuan; Uritboonthai, Wilasinee; et al

    2008-01-01

    Comprehensive detection and quantitation of metabolites from a biological source constitute the major challenges of current metabolomics research. Two chemical derivatization methodologies, butylation and amination, were applied to human serum for ionization enhancement of a broad spectrum of metabolite classes, including steroids and amino acids. LC-ESI-MS analysis of the derivatized serum samples provided a significant signal elevation across the total ion chromatogram to over a 100-fold increase in ionization efficiency. It was also demonstrated that derivatization combined with isotopically labeled reagents facilitated the relative quantitation of derivatized metabolites from individual as well as pooled samples.

  9. Anthropogenic particulate source characterization and source apportionment using aerosol time-of-flight mass spectrometry

    E-Print Network [OSTI]

    Toner, Stephen Mark

    2007-01-01

    emissions of heavy- duty engines in real world test cycles,emissions of heavy-duty engines in real world test cycles,emissions of heavy-duty engines in real world test cycles,

  10. Enhancement of concentration range of chromatographically detectable components with array detector mass spectrometry

    DOE Patents [OSTI]

    Enke, Christie

    2013-02-19

    Methods and instruments for high dynamic range analysis of sample components are described. A sample is subjected to time-dependent separation, ionized, and the ions dispersed with a constant integration time across an array of detectors according to the ions m/z values. Each of the detectors in the array has a dynamically adjustable gain or a logarithmic response function, producing an instrument capable of detecting a ratio of responses or 4 or more orders of magnitude.

  11. The use of mass spectrometry to characterize the metabolic output of bacterial pathogens

    E-Print Network [OSTI]

    Gonzalez, David

    2011-01-01

    phenol-soluble modulins (PSM) in S. aureus (Fig. 5.2b androbust production of PSM? and PSM were observed (Fig. 5.2e).Given the recently discovered PSM have been attributed, at

  12. Computational and comparative proteogenomics : annotating genomes and proteomes using tandem mass spectrometry

    E-Print Network [OSTI]

    Gupta, Nitin

    2009-01-01

    of Peptide-Spectrum Matches (PSM). In difference from Falsestatistical significance of a PSM with score T hreshold intoThe dictionary corresponding to a PSM (Dictionary(P eptide,

  13. Studies of Atmospheric Chemistry and Reaction Mechanisms Using Optical Spectroscopy and Mass Spectrometry

    E-Print Network [OSTI]

    Liu, Yingdi

    2011-01-01

    oxidation of hydrocarbon Measurements of trace gashydrocarbons have little interference on the PERCA measurement

  14. Studies of Atmospheric Chemistry and Reaction Mechanisms Using Optical Spectroscopy and Mass Spectrometry

    E-Print Network [OSTI]

    Liu, Yingdi

    2011-01-01

    between the upstream and downstream NO addition points) isdifference of the upstream and downstream configurations,2 levels in the upstream and downstream configurations, the

  15. New mass spectrometry techniques for studying physical chemistry of atmospheric heterogeneous processes

    E-Print Network [OSTI]

    Nizkorodov, Sergey

    and chemical proper- ties of airborne particles, such as their ability to absorb and scatter solar radiation with the US Department of Energy. The US Government retains and the publisher, by accepting this article and outlook 162 Acknowledgements 163 References 164 1. Introduction Ambient particles are complex mixtures

  16. THE KINETICS OF LASER PULSE VAPORIZATION OF URANIUM DIOXIDE BY MASS SPECTROMETRY

    E-Print Network [OSTI]

    Tsai, Chuen-horng

    2012-01-01

    constant consists of a unit conversion factor Ku (from atm/Khave Kg 3.9xlo- 5. The unit conversion factor Ku = 7.32x103-16), we have the unit conversion factor Ku A molecules/cm

  17. Microscale detection of polychlorinated biphenyls using two-step laser mass spectrometry

    E-Print Network [OSTI]

    Zare, Richard N.

    , solvents, extenders, flame-retardants, organic diluents, and dielectric fluids. Such historic use has led in natural food chains. A recent study of PCBs in butter produced in 23 countries has demonstrated the large-scale transport and bioaccumulation of this per- sistent organic compound [1]. PCBs have been impli- cated

  18. XL-MS: Protein cross-linking coupled with mass spectrometry

    E-Print Network [OSTI]

    Holding, Andrew N.

    2015-06-12

    . Bryn van Dijk, S. Kheradmandkia, R. Stadhouders, S. Thongjuea, E. Soler, N. Gillemans, et al., Cell Rep. 4 (2013) 589–600. [28] D.J. Pappin, P. Hojrup, A.J. Bleasby, Curr. Biol. 3 (1993) 327–332. [29] J.K. Eng, A.L. McCormack, J.R. Yates, J. Am. Soc...

  19. THE KINETICS OF LASER PULSE VAPORIZATION OF URANIUM DIOXIDE BY MASS SPECTROMETRY

    E-Print Network [OSTI]

    Tsai, Chuen-horng

    2012-01-01

    B. Nicholson, "VENUS-II: An LMFBR Disassembly Program," ANL-metal fast breeder reactor (LMFBR) safety analysis. Most

  20. A Mass Spectrometry Study of Isotope Separation in the Laser Plume

    E-Print Network [OSTI]

    Suen, Timothy Wu

    2012-01-01

    in which the kinetic energy and potential energy can not beResolution 3.2.2 Potential Energy 3.2.3 Kinetic Energy .includes both potential and kinetic energy in determining

  1. Observing the invisible through imaging mass spectrometry, a window into the metabolic exchange patterns of microbes

    E-Print Network [OSTI]

    Nizet, Victor

    patterns of microbes David J. Gonzalezi, 1 , Yuquan Xua, 1 , Yu-Liang Yanga, 1 , Eduardo Esquenazia, d, United States A R T I C L E I N F O A B S T R A C T Many microbes can be cultured as single patterns of a diverse array of microbes, including thermophilic and mesophilic fungi, cyanobacteria, marine

  2. Peptidogenomics approaches to study peptidic molecules from unsequenced microbes and that observed from imaging mass spectrometry

    E-Print Network [OSTI]

    Wu, Cheng-Hsuan

    2012-01-01

    a continuing dialogue. Microbes and Infection. 2002, 4: 309-molecules from unsequenced microbes and that observed frommolecules from unsequenced microbes and that observed from

  3. Quantitative Mapping of Protein Structure by Hydroxyl Radical Footprinting-Mediated Structural Mass Spectrometry: A Protection

    E-Print Network [OSTI]

    Yang, Sichun

    Article Quantitative Mapping of Protein Structure by Hydroxyl Radical Footprinting, Case Western Reserve University, Cleveland, Ohio ABSTRACT Measurements from hydroxyl radical features of a protein can be comprehensively probed by hydroxyl radical footprinting (HRF) mediated

  4. Chemical Analysis of Soot Using Thermal Desorption/Pyrolysis Gas Chromatography/Mass Spectrometry

    Broader source: Energy.gov [DOE]

    A new method of soot analysis using thermal/pyrolysis GS-MS has provided a faster, more efficient analytical method to understand the surface chemistry of the soot.

  5. Author's personal copy International Journal of Mass Spectrometry 280 (2009) 174178

    E-Print Network [OSTI]

    Maier, John Paul

    2009-01-01

    . The species was prepared by ablation of a boron nitride rod in the presence of helium. Ab intio calculations of resonant 2-color 2- photon ionization (R2C2PI) with the production capabilities of a laser ablation source. Laser ablation also proved a more efficient means of B3 radical production than discharging

  6. Dilution-Free Analysis from Picoliter Droplets by Nano-Electrospray Ionization Mass Spectrometry

    SciTech Connect (OSTI)

    Kelly, Ryan T.; Page, Jason S.; Marginean, Ioan; Tang, Keqi; Smith, Richard D.

    2009-09-01

    The expanding role of microfluidics for chemical and biochemical analysis is due to factors including the favorable scaling of separation performance with reduced channel dimensions,[1] flexibility afforded by computer-aided device design, and the ability to integrate multiple sample handling and analysis steps into a single platform.[2] Such devices enable smaller liquid volumes and sample sizes to be handled than can be achieved on the benchtop, where sub-microliter volumes are difficult to work with and where sample losses to the surfaces of multiple reaction vessels become prohibitive. A particularly attractive microfluidic platform for sample-limited analyses employs aqueous droplets or plugs encapsulated by an immiscible oil.[3,4] Each droplet serves as a discrete compartment or reaction chamber enabling, e.g., high throughput screening[5,6] and kinetic studies[7-9] of femto- to nanoliter samples, as well as the encapsulation[10-12] and lysis[10] of individual cells with limited dilution of the cellular contents

  7. Proteogenomics : applications of mass spectrometry at the interface of genomics and proteomics

    E-Print Network [OSTI]

    Castellana, Natalie

    2012-01-01

    of proteomics and genomics to unravel the specificities ofetry and comparative genomics to analyze multiple genomes,”genome,” Comp. Funct. Genomics, vol. 3, no. 3, pp. 244–253,

  8. THE KINETICS OF LASER PULSE VAPORIZATION OF URANIUM DIOXIDE BY MASS SPECTROMETRY

    E-Print Network [OSTI]

    Tsai, C-h.

    2010-01-01

    The results of the vapor pressure and the vapor compositionyielded the partial vapor pressure of each species and therecommer.ded limits of total vapor pressure This work fitted

  9. THE KINETICS OF LASER PULSE VAPORIZATION OF URANIUM DIOXIDE BY MASS SPECTROMETRY

    E-Print Network [OSTI]

    Tsai, Chuen-horng

    2012-01-01

    resulting low vapor pressure and low heat of vaporizationresulting low vapor pressure and low heat of vaporizationyields the partial vapor pressure and the composition in the

  10. Facilitation of protein 3-D structure determination using enhanced peptide amide deuterium exchange mass spectrometry (DXMS)

    E-Print Network [OSTI]

    Pantazatos, Dennis Peter

    2006-01-01

    hydrophobic interaction in protein folding. Proc Natl Acad1999;28:1-27. 15. Protein Folding, Dynamics, and StructuralHydrogen exchange and protein folding. Curr. Opin. Struct.

  11. Supporting Information for Comparative Triplex Tandem Mass Spectrometry Assays of Lysosomal Enzyme Activities

    E-Print Network [OSTI]

    Gelb, Michael

    to differ in the enzyme activity and are denoted as base, low, medium, high, and an adult DBS.S1 All months old and kept at ambient laboratory temperature. All DBS samples were manually punched with a 1 high and an adult DBS placed in this order from top to bottom. Sample Work-Up Protocols. Two different

  12. Characterization of Individual Nanoparticles and Applications of Nanoparticles in Mass Spectrometry 

    E-Print Network [OSTI]

    Rajagopal Achary, Sidhartha Raja

    2011-08-08

    ................................................................... 31 2-8 Yields of Al oxide clusters ([Al2O3)nAlO2] - as a function of integer n in the molecular formula for the 3 samples a). 136 keV Au400 4+ and b). 26 keV C60... + .......................................................................................... 33 2-9 Yields of Al oxide clusters ([Al2O3)nOH] -) as a function of integer n in the molecular formula for the 3 samples with a) 136 keV Au400 4+ and b). 26 keV C60...

  13. Secondary ion emission from “super-efficient” events: prospects for surface mass spectrometry 

    E-Print Network [OSTI]

    Rickman, Richard Dale

    2004-09-30

    -1 Total secondary ion yields for the Ph molecular ion (M-H)- on a per atom basis as a function of the energy per atom of the Aunm+ projectiles, n = 1 to 4, m=1,2?????? 53 5-2 Secondary ion multiplicity report for 23 keV Au4+ bombardment of a... phenylalanine target??????... 54 xii FIGURE age 5-3 Secondary ion yields for the Ph molecular ion (M-H)- on a per atom basis as a function of the energy per atom of the Aunm+ projectiles, n = 1 to 4, m=1,2 from one-ion detection events...

  14. Mass spectrometry-guided genome mining of peptidic and glycosylated microbial natural products

    E-Print Network [OSTI]

    Kersten, Roland David

    extraction of actinobacteria ..171 4.4.2 MS analysis of microbial metabolic extracts .171 4.4.3 Genome mining of glycosylated natural products ..

  15. 2?52Cf plasma desorption mass spectrometry of metal clusters 

    E-Print Network [OSTI]

    Hughes, Janita Muriel

    1991-01-01

    fission fragments. The fission fragments, emiued by the spontaneous fission of the ~'Cf nuclei, impinge on the sample surface and cause desorption to occur, When the source undergoes spontaneous fission it releases two fission fragments which... are colinear to each other. One of these fission fragments is detected and is used to produce a "start" timing mark. The other fission fragment causes the desorption of ions from the sample matrix producing secondary ions. A high voltage is applied...

  16. A Mass Spectrometry Study of Isotope Separation in the Laser Plume

    E-Print Network [OSTI]

    Suen, Timothy Wu

    2012-01-01

    code for determining plutonium isotopic abundances. volumefor the Characterization of Plutonium and Highly EnrichedKoch, “Origin determination of plutonium material in nuclear

  17. Xenon purity analysis for EXO-200 via mass spectrometry , C. Hall a,n

    E-Print Network [OSTI]

    Gratta, Giorgio

    at the WIPP facility near Carlsbad, New Mexico [2]. EXO-200 is sensitive to a neutrinoless double beta decay

  18. Anthropogenic particulate source characterization and source apportionment using aerosol time-of-flight mass spectrometry

    E-Print Network [OSTI]

    Toner, Stephen Mark

    2007-01-01

    particle types and incorporated into the library. Thethan their equivalent types in the library. Figure 6.6 showscurrently in the library, the current types represent major

  19. Developments and Applications of Electrophoresis and Small Molecule Laser Desorption Ionization Mass Spectrometry

    SciTech Connect (OSTI)

    Hui Zhang

    2007-12-01

    Ultra-sensitive native fluorescence detection of proteins with miniaturized one- and two-dimensional polyacrylamide gel electrophoresis was achieved with laser side-entry excitation, which provides both high excitation power and low background level. The detection limit for R-phycoerythrin protein spots in 1-D SDS-PAGE was as low as 15 fg, which corresponds to 40 thousand molecules only. The average detection limit of six standard native proteins was 5 pg per band and the dynamic range spanned more than 3 orders of magnitude. Approximately 150 protein spots from 30 ng of total Escherichia coli extraction were detected on a 0.8 cm x 1 cm gel in two-dimensional separation. Estrogen-DNA adducts as 4-OHE{sub 1}(E{sub 2})-1-N3Ade and 4-OHEI(E2)-2-NacCys were hypothesized as early risk assessment of prostate and breast cancers. Capillary electrophoresis, luminescence/absorption spectroscopy and LC-MS were used to characterize and detect these adducts. Monoclonal antibodies against each individual adduct were developed and used to enrich such compounds from urine samples of prostate and breast cancer patients as well as healthy people. Adduct 4-OHE{sub 1}-1-N3Ade was detected at much higher level in urine from subjects with prostate cancer patients compared to healthy males. The same adduct and 4-OHEI-2-NacCys were also detected at a much higher level in urine from a woman with breast carcinoma than samples from healthy controls. These two DNA adducts may serve as novel biomarkers for early diagnostic of cancers. The adsorption properties of R-phycoerythrin (RPE), on the fused-silica surface were studied using capillary electrophoresis (CE) and single molecule spectroscopy. The band shapes and migration times were measured in CE. Adsorption and desorption events were recorded at the single-molecule level by imaging of the evanescent-field layer using total internal reflection. The adsorbed RPE molecules on the fused-silica prism surface were counted with confidence based on Imagej software. The capacity factor and desorption rate were estimated from the counting results. The mobility-based adsorption isotherms were constructed from both computer simulations and experiments to determine the capacity factor.

  20. International Journal of Mass Spectrometry 379 (2015) 110120 Contents lists available at ScienceDirect

    E-Print Network [OSTI]

    Gratta, Giorgio

    2015-01-01

    , Philadelphia, PA, USA o Oak Ridge National Laboratory, Oak Ridge, TN, USA p Technische Universitat Munchen

  1. Hyphenating Ion Mobility With Mass Spectrometry to Increase the Information Content of Top-Down Analyses 

    E-Print Network [OSTI]

    Zinnel, Nathanael

    2014-04-25

    the information content. Here, we employ ion mobility (IM), a gas-phase separation technique, to disperse product ions resulting from collision-induced dissociation (CID), denoted as MS-CID-IM-MS, for top-down analysis for a variety of applications, specifically...

  2. Biophysical Mass Spectrometry Techniques for Probing the Higher-Order Structure of Proteins and Complexes

    E-Print Network [OSTI]

    Sterling, Jr., Harry John

    2012-01-01

    of Concanavalin a Dimer-Tetramer Self- Association:Metalloproteases - Dimers, Tetramers, and High MolecularStudies of Reversible Dimer-Tetramer Transition Kinetics of

  3. FOCUS: HARSH ENVIRONMENT MASS SPECTROMETRY Field Testing of Lake Water Chemistry with a

    E-Print Network [OSTI]

    Entekhabi, Dara

    ) are tested for the measurement of volatile substances, such as hydrocarbons and metabolic gases, in natural compared to that of conventional analysis. The AUV-mounted NEREUS additionally provided rapid spatial and obtaining the requested data. However, conventional water sampling and labo- ratory analysis often involve

  4. Factors Affecting Quantitative Analysis in Laser Desorption/Laser Ionization Mass Spectrometry

    E-Print Network [OSTI]

    Zare, Richard N.

    for polycyclic aromatic hydrocarbons (PAHs), lower than many conventional analytical techniques.20,21 * To whom of trace organic compounds, particularly polycyclic aromatic hydrocarbons (PAHs). Recent efforts have of complex mixtures. µL2MS has been most widely used to detect polycyclic aromatic hydrocarbons (PAHs

  5. REPORT OF THE INDUCTIVELY COUPLED PLASMA -MASS SPECTROMETRY (ICP-MS)

    E-Print Network [OSTI]

    through varied research and the analysis of samples from industry, particularly from the environmental) (Fig. 8) 1 Autosampler (Fig. 10) 1 Flow Injector (Fig, 9) 1 Peristaltic Pump #12;-3- CLEAN LABORATORY

  6. Chemical Sensing and Sensor-based Metrology Using Mass Spectrometry in Multi-Component

    E-Print Network [OSTI]

    Rubloff, Gary W.

    6 BP Reactor exhaust Turbo pump 50 l/s QMS Ion gauge to drag stage 60µ orifice 30µ orifice300µ at low flow rates: · Industry standard ­ NOVELLUS, AMAT blanket W CVD ­ Blanket process at pressure

  7. The use of mass spectrometry to characterize the metabolic output of bacterial pathogens

    E-Print Network [OSTI]

    Gonzalez, David

    2011-01-01

    al. (2007). The effect of probiotics on Helicobacter pyloristrains as potential probiotics and subsequent confirmationmicrobes defined as Probiotics. The mechanisms and molecular

  8. A Mass Spectrometry Study of Isotope Separation in the Laser Plume

    E-Print Network [OSTI]

    Suen, Timothy Wu

    2012-01-01

    Enriched Uranium Particles”, Analytical Chemistry 71, 2616 (Uranium Oxide Microparticles: A Nuclear Forensic Diagnostic”, Analytical Chemistry

  9. THE KINETICS OF LASER PULSE VAPORIZATION OF URANIUM DIOXIDE BY MASS SPECTROMETRY

    E-Print Network [OSTI]

    Tsai, Chuen-horng

    2012-01-01

    partial differential equation; e.g. WO(l) - initial temperature and W0(2) - initial composition (10) RESTART OR TERMINATION

  10. Conformational Analysis of Disordered Proteins Using H/D Exchange Mass Spectrometry

    E-Print Network [OSTI]

    Keppel, Theodore Robert

    2013-05-31

    .3.1 Optimizing Mixer Design under Laminar Flow Conditions ......................... 115 4.3.2 Validation of Quench-Flow Labeling ........................................................... 119 4.3.3 Rapid H/D Exchange by Intact CBP... ..................................................................................... 103 Figure 3.5: Structure of ACTR/CBP complex showing increase in protection ................... 104 Figure 3.6: Conceptual representation of H/D exchange flux model ................................. 106 Figure 4.1: The quench-flow apparatus...

  11. Analytical Performance of Accelerator Mass Spectrometry and Liquid Scintillation Counting for

    E-Print Network [OSTI]

    Hammock, Bruce D.

    . R.; Baker, D. B.; Richards, R. P.; Dixon, K. R.; Klaine, S. J.; La Point, T. W.; Kendall, R. J. D. In Handbook of Pesticide Toxicology; Hayes, W. J., Laws, E. R., Eds.; Academic Press: New York, E.; Cole, P. Am. J. Ind. Med. 1996, 29, 143-51. (8) Mayhew, D. A.; Taylor, G. D.; Smith, S. H

  12. Mapping differential interactomes by affinity purification coupled with data-independent mass spectrometry acquisition

    E-Print Network [OSTI]

    Lambert, Jean-Philippe

    Characterizing changes in protein-protein interactions associated with sequence variants (e.g., disease-associated mutations or splice forms) or following exposure to drugs, growth factors or hormones is critical to ...

  13. Demountable direct injection high efficiency nebulizer for inductively coupled plasma mass spectrometry

    DOE Patents [OSTI]

    Montaser, Akbar; Westphal, Craig S.; Kahen, Kaveh; Rutkowski, William F.; Acon, Billy W.

    2006-12-05

    A nebulizer adapted for adjusting a position of a capillary tube contained within the nebulizer is provided. The nebulizer includes an elongated tubular shell having a gas input port and a gas output port, a capillary adjustment adapter for displacing the capillary tube in a lateral direction via a rotational force, and a connector for connecting the elongated tubular shell, the capillary adjustment adapter and the capillary tube.

  14. Thermogravimetry-Mass Spectrometry for Carbon Nanotube Detection in Complex Mixtures

    E-Print Network [OSTI]

    Plata, Desiree Louise

    In spite of the growth of the carbon nanotube (CNT) industry, there are no established analytical methods with which to detect or quantify CNTs in environmental matrices. Given that CNTs have relatively high thermal ...

  15. Discrepancies between isotope ratio infrared spectroscopy and isotope ratio mass spectrometry for the

    E-Print Network [OSTI]

    Goldsmith, Greg

    -axis integrated cavity output spectroscopy (OA-ICOS, Los Gatos Research) and wavelength-scanned cavity ring

  16. Anthropogenic particulate source characterization and source apportionment using aerosol time-of-flight mass spectrometry

    E-Print Network [OSTI]

    Toner, Stephen Mark

    2007-01-01

    duty diesel vehicle emissions, Atmospheric Environment, 28 (pollutants: motor vehicle emissions in the South Coast Airfrom light duty vehicle emissions, Environmental Science &

  17. High resolution mass spectrometry method and system for analysis of whole proteins and other large molecules

    DOE Patents [OSTI]

    Reilly, Peter T. A. (Knoxville, TN) [Knoxville, TN; Harris, William A. (Naperville, IL) [Naperville, IL

    2010-03-02

    A matrix assisted laser desorption/ionization (MALDI) method and related system for analyzing high molecular weight analytes includes the steps of providing at least one matrix-containing particle inside an ion trap, wherein at least one high molecular weight analyte molecule is provided within the matrix-containing particle, and MALDI on the high molecular weight particle while within the ion trap. A laser power used for ionization is sufficient to completely vaporize the particle and form at least one high molecular weight analyte ion, but is low enough to avoid fragmenting the high molecular weight analyte ion. The high molecular weight analyte ion is extracted out from the ion trap, and is then analyzed using a detector. The detector is preferably a pyrolyzing and ionizing detector.

  18. Electrochemistry-Mass Spectrometry Unveils the Formation of Reactive Triclocarban MetabolitesS

    E-Print Network [OSTI]

    Hammock, Bruce D.

    National Sewage Sludge Survey, published in 2009 by the U.S. Environmental Protec- tion Agency, cites the detection of TCC in all 84 sewage samples analyzed within the study. TCC was found at up to 0.44 g

  19. Nanophotonic Ionization for Ultratrace and Single-Cell Analysis by Mass Spectrometry

    E-Print Network [OSTI]

    Vertes, Akos

    , and explosives. Quantitation of resveratrol in red wine samples shows that the analysis of targeted analytes

  20. Resonant Two-Photon Ionization Mass Spectrometry of Jet-Cooled Phenolic Acids and

    E-Print Network [OSTI]

    de Vries, Mattanjah S.

    , protocatechuic acid, syringic acid, vanillic acid, and trans-resveratrol are vibronically resolved and distinct of antioxidants and secondary metabolites.1 trans-Resveratrol, a polyphenol, is produced by a variety of plants in trans-resveratrol in recent years due to its anticancer4 and antiaging5,6 effects as well as its