Sample records for ionization mass spectrometry

  1. Electrospray Ionization Mass Spectrometry

    SciTech Connect (OSTI)

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

    2014-06-13T23:59:59.000Z

    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.

  2. High-Resolution Electrospray Ionization Mass Spectrometry Analysis...

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

    Mass Spectrometry Analysis of Water- Soluble Organic Aerosols Collected with a Particle High-Resolution Electrospray Ionization Mass Spectrometry Analysis of Water- Soluble Organic...

  3. Tissue Imaging Using Nanospray Desorption Electrospray Ionization Mass Spectrometry

    SciTech Connect (OSTI)

    Laskin, Julia; Heath, Brandi S.; Roach, Patrick J.; Cazares, Lisa H.; Semmes, O. John

    2012-01-03T23:59:59.000Z

    We present the first results showing the ambient imaging of biological samples in their native environment using nanospray desorption ionization (nanoDESI) mass spectrometry. NanoDESI is an ambient pressure ionization technique that enables precise control of ionization of molecules from substrates. We demonstrate highly sensitive and robust analysis of tissue samples with high spatial resolution (<12 {mu}m) without sample preparation, which will be essential for applications in clinical diagnostics, drug discovery, molecular biology, and biochemistry.

  4. Subcellular analysis by laser ablation electrospray ionization mass spectrometry

    DOE Patents [OSTI]

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

    2014-12-02T23:59:59.000Z

    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.

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

    SciTech Connect (OSTI)

    Vertes, Akos; Nemes, Peter

    2012-10-30T23:59:59.000Z

    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. 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)

    2011-11-29T23:59:59.000Z

    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).

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

    DOE Patents [OSTI]

    Vertes, Akos; Nemes, Peter

    2014-08-19T23:59:59.000Z

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

    DOE Patents [OSTI]

    Vertes, Akos; Nemes, Peter

    2013-07-16T23:59:59.000Z

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

    DOE Patents [OSTI]

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

    2011-06-21T23:59:59.000Z

    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).

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

    DOE Patents [OSTI]

    Vertes, Akos; Nemes, Peter

    2013-07-16T23:59:59.000Z

    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).

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

    E-Print Network [OSTI]

    Gomez Hernandez, Mario 1980-

    2012-07-11T23:59:59.000Z

    EXPLORATIONS OF FUNCTIONALIZED GOLD NANOPARTICLE SURFACE CHEMISTRY FOR LASER DESORPTION IONIZATION MASS SPECTROMETRY APPLICATIONS A Thesis by MARIO ESTUARDO GOMEZ HERNANDEZ Submitted to the Office... DESORPTION IONIZATION MASS SPECTROMETRY APPLICATIONS A Thesis by MARIO ESTUARDO GOMEZ HERNANDEZ Submitted to the Office of Graduate Studies of Texas A&M University in partial fulfillment of the requirements for the degree...

  12. 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.

    2014-02-02T23:59:59.000Z

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

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

    E-Print Network [OSTI]

    Campo, Karen Kay

    1996-01-01T23:59:59.000Z

    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...

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

    E-Print Network [OSTI]

    Wei, Xiaona

    1996-01-01T23:59:59.000Z

    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...

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

    E-Print Network [OSTI]

    Campo, Karen Kay

    1996-01-01T23:59:59.000Z

    THE EFFECT OF SOLVENT ON MATRIX-ASSISTED LASER DESORPTION IONIZATION MASS SPECTROMETRY A Thesis by KAREN KAY CAMPO Submitted to the Office of Graduate Studies of Texas A&M University in partial fulfillment of the requirements for the degree... of MASTER OF SCIENCE December 1996 Major Subject: Chemistry THE EFFECT OF SOLVENT ON MATRIX-ASSISTED LASER DESORPTION IONIZATION MASS SPECTROMETRY A Thesis by KAREN KAY CAMPO Submitted to Texas A@M University in partial fulfillment...

  16. 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.

    2009-08-19T23:59:59.000Z

    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.

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

    DOE Patents [OSTI]

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

    2013-02-26T23:59:59.000Z

    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.

  18. High-Speed Tandem Mass Spectrometric in Situ Imaging by Nanospray Desorption Electrospray Ionization Mass Spectrometry

    SciTech Connect (OSTI)

    Lanekoff, Ingela T.; Burnum-Johnson, Kristin E.; Thomas, Mathew; Short, Joshua TL; Carson, James P.; Cha, Jeeyeon; Dey, Sudhansu K.; Yang, Pengxiang; Prieto Conaway, Maria C.; Laskin, Julia

    2013-10-15T23:59:59.000Z

    Nanospray desorption electrospray ionization (nano-DESI) combined with tandem mass spectrometry (MS/MS), high-resolution mass analysis (m/m=17,500 at m/z 200), and rapid spectral acquisition enabled simultaneous imaging and identification of more than 300 molecules from 92 selected m/z windows (± 1 Da) with a spatial resolution of better than 150 um. Uterine sections of implantation sites on day 6 of pregnancy were analyzed in the ambient environment without any sample pre-treatment. MS/MS imaging was performed by scanning the sample under the nano-DESI probe at 10 um/s while acquiring higher-energy collision-induced dissociation (HCD) spectra for a targeted inclusion list of 92 m/z values at a rate of ~6.3 spectra/s. Molecular ions and their corresponding fragments, separated using high-resolution mass analysis, were assigned based on accurate mass measurement. Using this approach, we were able to identify and image both abundant and low-abundance isobaric species within each m/z window. MS/MS analysis enabled efficient separation and identification of isobaric sodium and potassium adducts of phospholipids. Furthermore, we identified several metabolites associated with early pregnancy and obtained the first 2D images of these molecules.

  19. 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. [Oak Ridge National Lab., TN (United States). Chemical and Analytical Sciences Div.

    1996-02-01T23:59:59.000Z

    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.

  20. Plume collimation for laser ablation electrospray ionization mass spectrometry

    DOE Patents [OSTI]

    Vertes, Akos; Stolee, Jessica A.

    2014-09-09T23:59:59.000Z

    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.

  1. Electrospray Ionization Tandem Mass Spectrometry (ESI-MS/MS)-Based Shotgun Lipidomics

    SciTech Connect (OSTI)

    Mezengie, Giorgis I.

    2011-01-11T23:59:59.000Z

    In the past decade, many new strategies for mass spectrometry (MS)-based analyses of lipids have been developed. Lipidomics is one of the most promising research fields to emerge as a result of these advances in MS. Currently, mass spectrometric analysis of lipids involves two complementary approaches: direct infusion (shotgun lipidomics) and liquid chromatography coupled to MS. In this chapter, I will demonstrate the approach of shotgun lipidomics using electrospray ionization tandem MS for the analysis of lipid molecular species directly from crude biological extracts of tissue or fluids.

  2. 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

    2005-01-01T23:59:59.000Z

    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.

  3. High-Resolution Desorption Electrospray Ionization Mass Spectrometry for Chemical Characterization of Organic Aerosols

    SciTech Connect (OSTI)

    Laskin, Julia; Laskin, Alexander; Roach, Patrick J.; Slysz, Gordon W.; Anderson, Gordon A.; Nizkorodov, Serguei; Bones, David L.; Nguyen, Lucas

    2010-03-01T23:59:59.000Z

    Characterization of the chemical composition and chemical transformations of secondary organic aerosol (SOA) is both a major challenge and the area of greatest uncertainty in current aerosol research. This study presents the first application of desorption electrospray ionization combined with high-resolution mass spectrometry (DESI-MS) for detailed chemical characterization and studies of chemical aging of OA collected on Teflon substrates. DESI-MS offers unique advantages both for detailed characterization of chemically labile components in OA that cannot be detected using more traditional electrospray ionization mass spectrometry (ESI-MS) and for studying chemical aging of OA. DESI-MS enables rapid characterization of OA samples collected on substrates by eliminating the sample preparation stage. In addition, it enables detection and structural characterization of chemically labile molecules in OA samples by minimizing the residence time of analyte in the solvent. SOA produced by the ozonolysis of limonene (LSOA) was allowed to react with gaseous ammonia. Chemical aging resulted in measurable changes in the optical properties of LSOA observed using UV- visible spectroscopy. DESI-MS combined with tandem mass spectrometry experiments (MS/MS) enabled identification of species in aged LSOA responsible for absorption of the visible light. Detailed analysis of the experimental data allowed us to identify chemical changes induced by reactions of LSOA constituents with ammonia and distinguish between different mechanisms of chemical aging.

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

    SciTech Connect (OSTI)

    Isselhardt, B H

    2011-09-06T23:59:59.000Z

    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.

  5. Size-selected 2, 5, and 10 nm gold nanoparticles for laser desorption/ionization mass spectrometry

    E-Print Network [OSTI]

    Stumpo, Katherine Anne

    2009-05-15T23:59:59.000Z

    The analytical utility of gold nanoparticles (AuNPs) for laser desorption/ionization mass spectrometry (LDI-MS) is examined here. An evaluation of the parameters that affect desorption/ionization show that careful treatments of AuNPs is needed...

  6. Size-selected 2, 5, and 10 nm gold nanoparticles for laser desorption/ionization mass spectrometry 

    E-Print Network [OSTI]

    Stumpo, Katherine Anne

    2009-05-15T23:59:59.000Z

    The analytical utility of gold nanoparticles (AuNPs) for laser desorption/ionization mass spectrometry (LDI-MS) is examined here. An evaluation of the parameters that affect desorption/ionization show that careful treatments of AuNPs is needed...

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

    SciTech Connect (OSTI)

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

    2014-02-04T23:59:59.000Z

    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.

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

    SciTech Connect (OSTI)

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

    2014-01-01T23:59:59.000Z

    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.

  9. Molecular Characterization of Organic Aerosols Using Nanospray Desorption/Electrospray Ionization-Mass Spectrometry

    SciTech Connect (OSTI)

    Roach, Patrick J.; Laskin, Julia; Laskin, Alexander

    2010-10-01T23:59:59.000Z

    Nanospray desorption electrospray ionization (Nano-DESI) combined with high-resolution mass spectrometry (HR/MS) is a promising approach for detailed chemical characterization of atmospheric organic aerosol (OA) collected in laboratory and field experiments. In Nano-DESI analyte is desorbed into a solvent bridge formed between two capillaries and the analysis surface, which enables fast and efficient characterization of OA collected on substrates without special sample preparation. Stable signals achieved using Nano-DESI make it possible to obtain high-quality HR/MS data using only a small amount of material (<10 ng). Furthermore, Nano-DESI enables efficient detection of chemically labile compounds in OA, which is important for understanding chemical aging phenomena.

  10. 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.

    2011-06-09T23:59:59.000Z

    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.

  11. Picoelectrospray Ionization Mass Spectrometry Using Narrow-bore Chemically Etched Emitters

    SciTech Connect (OSTI)

    Marginean, Ioan; Tang, Keqi; Smith, Richard D.; Kelly, Ryan T.

    2014-01-01T23:59:59.000Z

    Electrospray ionization mass spectrometry (ESI-MS) at flow rates below ~10 nL/min has been only sporadically explored due to difficulty in reproducibly fabricating emitters that can operate at lower flow rates. Here we demonstrate narrow orifice chemically etched emitters for stable electrospray at flow rates as low as 400 pL/min. Depending on the analyte concentration, we observe two types of MS signal response as a function of flow rate. At low concentrations, an optimum flow rate is observed slightly above 1 nL/min, while the signal decreases monotonically with decreasing flow rates at higher concentrations. In spite of lower MS signal, the ion utilization efficiency increases exponentially with decreasing flow rate in all cases. No unimolecular response was observed within this flow rate range during the analysis of an equimolar mixture of peptides, indicating that ionization efficiency is an analyte-dependent characteristic in given experimental conditions. While little to no gain in signal-to-noise was achieved at ultralow flow rates for concentration-limited analyses, experiments consuming the same amount of analyte suggest that mass-limited analyses will benefit strongly from the use of low flow rates and avoiding unnecessary sample dilution. By operating under optimal conditions, consumption of just 500 zmol of sample yielded signal-to-noise ratios ~10 for some peptides. These findings have important implications for the analysis of trace biological samples.

  12. Development of New Soft Ionization Mass Spectrometry Approaches for Spatial Imaging of Complex Chemical and Biological Systems

    E-Print Network [OSTI]

    Development of New Soft Ionization Mass Spectrometry Approaches for Spatial Imaging of Complex Chemical and Biological Systems Research Team: Julia Laskin, Ljiljana Pasa-Toli, Brandi Heath, Ingela to multiple chemical and biological systems Key Successes Developed unique tools for imaging biological

  13. The Effect of Solvent on the Analysis of Secondary Organic Aerosol Using Electrospray Ionization Mass Spectrometry

    SciTech Connect (OSTI)

    Bateman, Adam P.; Walser, Maggie L.; Dessiaterik, Yury; Laskin, Julia; Laskin, Alexander; Nizkorodov, Serguei

    2008-10-01T23:59:59.000Z

    Solvent-analyte reactions in organic aerosol (OA) extracts prepared for analysis by electrospray ionization mass spectrometry (ESI-MS) were examined. Secondary organic aerosol (SOA) produced by ozonation of d-limonene as well as several test organic chemicals with functional groups typical for OA constituents were dissolved and stored in methanol, d3-methanol, acetonitrile, and d3-acetonitrile to investigate the extent and relative rates of reactions between analyte and solvent. High resolution ESI-MS showed that reactions of carbonyls with methanol produce significant amounts of hemiacetals and acetals on time scales ranging from several minutes to several days, with the reaction rates increasing in acidified solutions. Carboxylic acid groups were observed to react with methanol resulting in the formation of esters. In contrast, acetonitrile extracts showed no evidence of reactions with analyte molecules, suggesting that acetonitrile is the preferred solvent for SOA extraction. The use of solvent-analyte reactivity as an analytical chemistry tool for the improved characterization of functional groups in complex organic mixtures was also demonstrated. Direct comparison between ESI mass spectra of the same SOA samples extracted in reactive (methanol) versus non-reactive (acetonitrile) solvents was used to estimate the relative fractions of ketones (?38%), aldehydes (?6%), and carboxylic acids (?55%) in d-limonene SOA.

  14. Chemical Analysis of Complex Organic Mixtures Using Reactive Nanospray Desorption Electrospray Ionization Mass Spectrometry

    SciTech Connect (OSTI)

    Laskin, Julia; Eckert, Peter A.; Roach, Patrick J.; Heath, Brandi S.; Nizkorodov, Sergey A.; Laskin, Alexander

    2012-08-21T23:59:59.000Z

    Reactive nanospray desorption electrospray ionization (nano-DESI) combined with high-resolution mass spectrometry was utilized for the analysis of secondary organic aerosol produced through ozonolysis of limonene (LSOA). Previous studies showed that LSOA constituents are multifunctional compounds containing aldehyde and ketone groups. In this study, we used the selectivity of the Girard T (GT) reagent towards carbonyl compounds to examine the utility of reactive nano-DESI for the analysis of complex organic mixtures. In these experiments, 1-100 {micro}M GT solution was used as a working solvent for reactive nano-DESI analysis. Abundant products of a single addition of GT to LSOA constituents were observed at GT concentrations in excess of 10 {micro}M. We found that LSOA compounds with 18-20 carbon atoms (dimers) and 27-30 carbon atoms (trimers) react with GT through a simple addition reaction resulting in formation of the carbinolamine derivative. In contrast, reactions of GT with monomeric species result in formation of both the carbinolamine and the hydrazone derivatives. In addition, several monomers did not react with GT on the timescale of our experiment. These molecules were characterized by relatively high values of the double bond equivalent (DBE) and low oxygen content. Furthermore, because addition of a charged GT tag to a neutral molecule eliminates the discrimination against the low proton affinity compounds in the ionization process, reactive nano-DESI analysis enables quantification of individual compounds in the complex mixture. For example, we were able to estimate for the first time the amounts of dimers and trimers in the LSOA mixture. Specifically, we found that the most abundant LSOA dimer was detected at ca. 0.5 pg level and the total amount of dimers and trimers in the analyzed sample was just around 11 pg. Our results indicate that reactive nano-DESI is a valuable approach for examining the presence of specific functional groups and quantification of compounds possessing these groups in complex mixtures.

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

    E-Print Network [OSTI]

    Gomez Hernandez, Mario 1980-

    2012-07-11T23:59:59.000Z

    Functionalized nanoparticles provide a wide range of potential applications for Biological Mass Spectrometry (MS). Particularly, we have studied the effects of chromophore activity on the performance of gold nanoparticles (AuNPs) capped...

  16. Metabolic Profiling Directly from the Petri Dish Using Nanospray Desorption Electrospray Ionization Imaging Mass Spectrometry

    SciTech Connect (OSTI)

    Watrous, Jeramie D.; Roach, Patrick J.; Heath, Brandi S.; Alexandrov, Theodore; Laskin, Julia; Dorrestein, Pieter C.

    2013-11-05T23:59:59.000Z

    Understanding molecular interaction pathways in complex biological systems constitutes a treasure trove of knowledge that might facilitate the specific, chemical manipulation of the countless microbiological systems that occur throughout our world. However, there is a lack of methodologies that allow the direct investigation of chemical gradients and interactions in living biological systems, in real time. Here, we report the use of nanospray desorption electrospray ionization (nanoDESI) imaging mass spectrometry for in vivo metabolic profiling of living bacterial colonies directly from the Petri dish with absolutely no sample preparation needed. Using this technique, we investigated single colonies of Shewanella oneidensis MR-1, Bacillus subtilis 3610, and Streptomyces coelicolor A3(2) as well as a mixed biofilm of S. oneidensis MR-1 and B. subtilis 3610. Data from B. subtilis 3610 and S. coelicolor A3(2) provided a means of validation for the method while data from S. oneidensis MR-1 and the mixed biofilm showed a wide range of compounds that this bacterium uses for the dissimilatory reduction of extracellular metal oxides, including riboflavin, iron-bound heme and heme biosynthetic intermediates, and the siderophore putrebactin.

  17. 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

    2013-01-15T23:59:59.000Z

    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.

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

    DOE Patents [OSTI]

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

    1999-06-29T23:59:59.000Z

    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.

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

    E-Print Network [OSTI]

    Broekhuizen, Keith Edward, 1974-

    2002-01-01T23:59:59.000Z

    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 ...

  20. Very high resolution saturation spectroscopy of lutetium isotopes via c-w single-frequency laser resonance ionization mass spectrometry

    SciTech Connect (OSTI)

    Fearey, B.L.; Parent, D.C.; Keller, R.A.; Miller, C.M.

    1987-01-01T23:59:59.000Z

    In this paper, we discuss the use of Resonance Ionization Mass Spectrometry (RIMS) to perform isotopically selective saturation spectroscopy of lutetium isotopes. Utilizing this technique, it is shown that accurate measurements of the relative frequencies of hyperfine (HF) components for different isotopes easily can be made without the need for an isotopically enriched sample. The precision with which the HF splitting constants can be determined is estimated to be approx.5 times greater than in previous work.

  1. 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

    2012-02-07T23:59:59.000Z

    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.

  2. Applications of High-Resolution Electrospray Ionization Mass...

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

    High-Resolution Electrospray Ionization Mass Spectrometry to Measurements of Average Oxygen to Carbon Ratios in Applications of High-Resolution Electrospray Ionization Mass...

  3. 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)

    1999-01-01T23:59:59.000Z

    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.

  4. ablation mass spectrometry: Topics by E-print Network

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

    and laser ablation electrospray ionization mass Chemistry Websites Summary: -mass spectrometry (DESI-MS) and laser ablation electrospray ionization-MS (LAESI-MS) were used to...

  5. Time-Resolved Molecular Characterization of Limonene/Ozone Aerosol using High-Resolution Electrospray Ionization Mass Spectrometry

    SciTech Connect (OSTI)

    Bateman, Adam P.; Nizkorodov, Serguei; Laskin, Julia; Laskin, Alexander

    2009-09-09T23:59:59.000Z

    Molecular composition of limonene/O3 secondary organic aerosol (SOA) was investigated using high-resolution electrospray ionization mass spectrometry (HR-ESI-MS) as a function of reaction time. SOA was generated by ozonation of D-limonene in a reaction chamber and sampled at different time intervals using a cascade impactor. The SOA samples were extracted into acetonitrile and analyzed using a HR-ESI-MS instrument with a resolving power of 100,000 (m/?m). The resulting mass spectra provided detailed information about the extent of oxidation inferred from the O:C ratios, double bond equivalency (DBE) factors, and aromaticity indexes (AI) in hundreds of identified individual SOA species.

  6. High-Resolution Electrospray Ionization Mass Spectrometry Analysis of Water- Soluble Organic Aerosols Collected with a Particle into Liquid Sampler

    SciTech Connect (OSTI)

    Bateman, Adam P.; Nizkorodov, Serguei; Laskin, Julia; Laskin, Alexander

    2010-10-01T23:59:59.000Z

    This work demonstrates the utility of a particle-into-liquid sampler (PILS) a technique traditionally used for identification of inorganic ions present in ambient or laboratory aerosols for the analysis of water soluble organic aerosol (OA) using high resolution electrospray ionization mass spectrometry (HR ESI-MS). Secondary organic aerosol (SOA) was produced from 0.5 ppm mixing ratios of limonene and ozone in a 5 m3 Teflon chamber. SOA was collected simultaneously using a traditional filter sampler and a PILS. The filter samples were later extracted with either water or acetonitrile, while the aqueous PILS samples were analyzed directly. In terms of peak intensities, types of detectable compounds, average O:C ratios, and organic mass to organic carbon ratios, the resulting high resolution mass spectra were essentially identical for the PILS and filter based samples. SOA compounds extracted from both filter/acetonitrile extraction and PILS/water extraction accounted for >95% of the total ion current in ESI mass spectra. This similarity was attributed to high solubility of limonene SOA in water. In contrast, significant differences in detected ions and peak abundances were observed for pine needle biomass burning organic aerosol (BBOA) collected with PILS and filter sampling. The water soluble fraction of BBOA is considerably smaller than for SOA, and a number of unique peaks were detectable only by the filter/acetonitrile method. The combination of PILS collection with HR-ESI-MS analysis offers a new approach for molecular analysis of the water-soluble organic fraction in biogenic SOA, aged photochemical smog, and BBOA.

  7. Isotopically selective, Doppler-free, saturation spectroscopy of lutetium isotopes via resonance ionization mass spectrometry

    SciTech Connect (OSTI)

    Fearey, B.L.; Parent, D.C.; Keller, R.A.; Miller, C.M.

    1988-01-01T23:59:59.000Z

    A new technique utilizing RIMS to obtain very high resolution atomic spectra with isotopic selectivity has been demonstrated. This technique allows the precise determination of HF splitting constants, limited only by the transition's natural linewidth. In addition, it is also feasible with this technique to accurately determine atomic isotope shifts. The exact determination of HF component line positions provides data for isotopically selective ionization which, in turn, will increase RIMS' dynamic range. Future work includes the incorporation of a /open quotes/vibrating/close quotes/ mirror and the study of rarer isotopes, i.e., /sup 174/Lu, /sup 173/Lu, /sup 172/Lu, /sup 171/Lu, and possibly, /sup 170/Lu. 13 refs., 3 figs.

  8. EMSL - Mass Spectrometry

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

    mass-spectrometry Proteomics Capabilities High resolution and mass accuracy Fourier-transform ion cyclotron resonance (FT-ICR) spectrometers, from 6 Tesla (T) to 15T and 21T in...

  9. Facilities: NHMFL 9.4 Tesla Fourier Transform Ion Cyclotron Resonance Mass Spectrometer Citation: Atmospheric Pressure Laser-Induced Acoustic Desorption Chemical Ionization Mass Spectrometry

    E-Print Network [OSTI]

    Weston, Ken

    . Rodgers, & Alan G. Marshall, Analytical Chemistry 84, 7131-7137 (2012). Figure 1. Schematic diagram hydrocarbons (the primary components of gasoline) are difficult to analyze by mass spectrometry, because

  10. ambient mass spectrometry: Topics by E-print Network

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

    and Applications of Liquid Sample Desorption Electrospray Ionization Mass Spectrometry (DESI-MS). Open Access Theses and Dissertations Summary: ?? This dissertation...

  11. aerosol mass spectrometry: Topics by E-print Network

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

    analysis of aerosol organic nitrates with electron ionization high-resolution mass spectrometry MIT - DSpace Summary: Four hydroxynitrates (R(OH)R'ONO2) representative of...

  12. Applications of High-Resolution Electrospray Ionization Mass Spectrometry to Measurements of Average Oxygen to Carbon Ratios in Secondary Organic Aerosols

    SciTech Connect (OSTI)

    Bateman, Adam P.; Laskin, Julia; Laskin, Alexander; Nizkorodov, Sergey

    2012-07-02T23:59:59.000Z

    The applicability of high resolution electrospray ionization mass spectrometry (HR ESI-MS) to measurements of the average oxygen to carbon ratio (O/C) in organic aerosols was investigated. Solutions with known average O/C containing up to 10 standard compounds representative of secondary organic aerosol (SOA) were analyzed and corresponding electrospray ionization efficiencies were quantified. The assumption of equal ionization efficiency commonly used in estimating O/C ratios of organic aerosols was found to be reasonably accurate. We found that the accuracy of the measured O/C ratios increases by averaging the values obtained from both (+) and (-) modes. A correlation was found between the ratio of the ionization efficiencies in the positive and negative ESI modes with the octanol-water partition constant, and more importantly, with the compound's O/C. To demonstrate the utility of this correlation for estimating average O/C values of unknown mixtures, we analyzed the ESI (+) and ESI (-) data for SOA produced by oxidation of limonene and isoprene and compared to online O/C measurements using an aerosol mass spectrometer (AMS). This work demonstrates that the accuracy of the HR ESI-MS methods is comparable to that of the AMS, with the added benefit of molecular identification of the aerosol constituents.

  13. 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

    2014-08-21T23:59:59.000Z

    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.

  14. THE EARLY DAYS OF ACCELERATOR MASS SPECTROMETRY

    E-Print Network [OSTI]

    Alvarez, L.W.

    2010-01-01T23:59:59.000Z

    reported work in high energy mass spectrometry-two in 1938,importance of high energy mass spectrometry was demonstrated

  15. Applications of High-Resolution Electrospray Ionization Mass Spectrometry to Measurements of Average Oxygen to Carbon Ratios

    E-Print Network [OSTI]

    Nizkorodov, Sergey

    , California 92617, United States Chemical and Materials Sciences Division and § Environmental Molecular. A correlation was found between the ratio of the ionization efficiencies in the positive (+) and negative identification of the aerosol constituents. INTRODUCTION Due to the molecular complexity inherent to secondary

  16. System and method of infrared matrix-assisted laser desorption/ionization mass spectrometry in polyacrylamide gels

    DOE Patents [OSTI]

    Haglund Jr., Richard F.; Ermer, David R.; Baltz-Knorr, Michelle Lee

    2004-11-30T23:59:59.000Z

    A system and method for desorption and ionization of analytes in an ablation medium. In one embodiment, the method includes the steps of preparing a sample having analytes in a medium including at least one component, freezing the sample at a sufficiently low temperature so that at least part of the sample has a phase transition, and irradiating the frozen sample with short-pulse radiation to cause medium ablation and desorption and ionization of the analytes. The method further includes the steps of selecting a resonant vibrational mode of at least one component of the medium and selecting an energy source tuned to emit radiation substantially at the wavelength of the selected resonant vibrational mode. The medium is an electrophoresis medium having polyacrylamide. In one embodiment, the energy source is a laser, where the laser can be a free electron laser tunable to generate short-pulse radiation. Alternatively, the laser can be a solid state laser tunable to generate short-pulse radiation. The laser can emit light at various ranges of wavelength.

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

    E-Print Network [OSTI]

    Mendez Silvagnoli, Winston Reinaldo

    1995-01-01T23:59:59.000Z

    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...

  18. 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. [Laboratory of Atmospheric Chemistry (LAC), Paul Scherrer Institute (PSI), CH-5232 Villigen PSI (Switzerland)] [Laboratory of Atmospheric Chemistry (LAC), Paul Scherrer Institute (PSI), CH-5232 Villigen PSI (Switzerland)

    2013-11-15T23:59:59.000Z

    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.

  19. 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

  20. Molecular characterization of organic aerosol using nanospray desorption/ electrospray ionization mass spectrometry: CalNex 2010 field study

    E-Print Network [OSTI]

    Goldstein, Allen

    Laboratory, Pacific Northwest National Laboratory, Richland, WA 99352, USA c Chemical and Materials Sciences molecular species were detected in the mass range of 50e400 m/z using positive mode ESI of aerosol samples in the 0.18e0.32 mm size range. Our analysis focused on identification of two main groups: compounds

  1. Linear electric field mass spectrometry

    DOE Patents [OSTI]

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

    1992-12-01T23:59:59.000Z

    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.

  2. Absorption Mode FT-ICR Mass Spectrometry Imaging. | EMSL

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

    Mass Spectrometry Imaging. Absorption Mode FT-ICR Mass Spectrometry Imaging. Abstract: Fourier transform ion cyclotron resonance mass spectrometry offers the highest mass resolving...

  3. Symposium on accelerator mass spectrometry

    SciTech Connect (OSTI)

    None

    1981-01-01T23:59:59.000Z

    The area of accelerator mass spectrometry has expanded considerably over the past few years and established itself as an independent and interdisciplinary research field. Three years have passed since the first meeting was held at Rochester. A Symposium on Accelerator Mass Spectrometry was held at Argonne on May 11-13, 1981. In attendance were 96 scientists of whom 26 were from outside the United States. The present proceedings document the program and excitement of the field. Papers are arranged according to the original program. A few papers not presented at the meeting have been added to complete the information on the status of accelerator mass spectrometry. Individual papers were prepared separately for the data base.

  4. 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

    SciTech Connect (OSTI)

    Soorkia, Satchin; Liu, Chen-Lin; Savee, John D.; Ferrell, Sarah J.; Leone, Stephen R.; Wilson, Kevin R.

    2011-10-12T23:59:59.000Z

    A new pulsed Laval nozzle apparatus with vacuum ultraviolet (VUV) synchrotron photoionization quadrupole mass spectrometry is constructed to study low-temperature radicalneutralchemical reactions of importance for modeling the atmosphere of Titan and the outer planets. A design for the sampling geometry of a pulsed Laval nozzle expansion has beendeveloped that operates successfully for the determination of rate coefficients by time-resolved mass spectrometry. The new concept employs airfoil sampling of the collimated expansion withexcellent sampling throughput. Time-resolved profiles of the high Mach number gas flow obtained by photoionization signals show that perturbation of the collimated expansion by theairfoil is negligible. The reaction of C2H with C2H2 is studied at 70 K as a proof-of-principle result for both low-temperature rate coefficient measurements and product identification basedon the photoionization spectrum of the reaction product versus VUV photon energy. This approach can be used to provide new insights into reaction mechanisms occurring at kinetic ratesclose to the collision-determined limit.

  5. Elemental Speciation by Parallel Elemental and Molecular Mass Spectrometry and Peak Profile

    E-Print Network [OSTI]

    Derry, Louis A.

    -amino acid standards (0.005-15 ppm as Se). The molecular MS (atmospheric pressure chemical ionization time spectrometry (ICPMS) or atmospheric pressure ionization mass spectrometry (API-MS, e.g., atmospheric pressure by HPLC-ICPMS requires retention index matching with an appropriate standard. Such an approach may yield

  6. Investigation of Metalloproteins Utilizing High Resolution Mass Spectrometry

    E-Print Network [OSTI]

    Wu, Zhaoxiang

    2011-08-08T23:59:59.000Z

    studies using matrix assisted laser desorption/ionization (MALDI) mass spectrometry (MS) have shown that Cu? ions preferentially bind to electron rich groups in gas phase (i.e., N-terminal amino group, the side-chains of lysine, histidine and arginine...

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

    E-Print Network [OSTI]

    Gamez, Roberto

    2014-05-05T23:59:59.000Z

    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...

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

    E-Print Network [OSTI]

    Gamez, Roberto

    2014-05-05T23:59:59.000Z

    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...

  9. 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

    2005-08-29T23:59:59.000Z

    typical of cellular protein complements. In this work, matrix assisted laser desorption-ionization is coupled with ion mobility (IM) separation for the analysis of biological molecules. The utility of liquid-phase separations coupled to MS lies...

  10. Molecular Characterization of S- and N-containing Organic Constituents in Ambient Aerosols by negative ion mode High-Resolution Nanospray Desorption Electrospray Ionization Mass Spectrometry: CalNex 2010 field study

    SciTech Connect (OSTI)

    O'Brien, Rachel E.; Laskin, Alexander; Laskin, Julia; Rubitschun, Caitlin L.; Surratt, Jason D.; Goldstein, Allen H.

    2014-11-27T23:59:59.000Z

    Samples of ambient aerosols from the 2010 California Research at the Nexus of Air Quality and Climate Change (CalNex) field study were analyzed using Nanospray Desorption Electrospray Ionization High Resolution Mass Spectrometry (nano-DESI/MS). Four samples per day were collected in Bakersfield, CA on June 20-24 with a collection time of 6 hours per sample. Four characteristic groups of organic constituents were identified in the samples: compounds containing carbon, hydrogen, and oxygen only (CHO), sulfur- (CHOS), nitrogen-(CHON), and both nitrogen- and sulfur-containing organics (CHONS). Within the groups, organonitrates, organosulfates, and nitroxy organosulfates were assigned based on accurate mass measurements and elemental ratio comparisons. Changes in the chemical composition of the aerosol samples were observed throughout the day. The number of observed CHO compounds increased in the afternoon samples, suggesting regional photochemical processing as a source. The average number of CHOS compounds had the smallest changes throughout the day, consistent with a more broadly distributed source. Both of the nitrogen-containing groups (CHON and CHONS) had greater numbers of compounds in the night and morning samples, indicating that nitrate radical chemistry was likely a source for those compounds. Most of the compounds were found in submicron particles. The size distribution of CHON compounds was bimodal. We conclude that the majority of the compounds observed were secondary in nature with both biogenic and anthropogenic sources.

  11. Sheathless interface for coupling capillary electrophoresis with mass spectrometry

    SciTech Connect (OSTI)

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

    2014-06-17T23:59:59.000Z

    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.

  12. accurate mass spectrometry: Topics by E-print Network

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

    Positive Negative *) Atomic composition Graham, Nick 2 FOCUS: TOP-DOWN MASS SPECTROMETRY Collective Mass Spectrometry Approaches Biology and Medicine Websites Summary:...

  13. Atmospheric Solids Analysis Probe Mass Spectrometry: A New Approach...

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

    Atmospheric Solids Analysis Probe Mass Spectrometry: A New Approach for Airborne Particle Analysis. Atmospheric Solids Analysis Probe Mass Spectrometry: A New Approach for Airborne...

  14. New Mass Spectrometry Techniques for Studying Physical Chemistry...

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

    Mass Spectrometry Techniques for Studying Physical Chemistry of Atmospheric Heterogeneous Processes. New Mass Spectrometry Techniques for Studying Physical Chemistry of Atmospheric...

  15. Fluorohydrogenate Cluster Ions in the Gas Phase: Electrospray Ionization Mass Spectrometry of the [1-Ethyl-3-methylimidazolium+][F(HF)2.3–] Ionic Liquid

    SciTech Connect (OSTI)

    Gary S. Groenewold; James E. Delmore; Michael T. Benson; Tetsuya Tsuda; Rika Hagiwara

    2013-12-01T23:59:59.000Z

    Electrospray ionization of the fluorohydrogenate ionic liquid [1-ethyl-3-methylimidazolium][F(HF)2.3] ionic liquid was conducted to understand the nature of the anionic species as they exist in the gas phase. Abundant fluorohydrogenate clusters were produced; however, the dominant anion in the clusters was [FHF-], and not the fluoride-bound HF dimers or trimers that are seen in solution. Density functional theory (DFT) calculations suggest that HF molecules are bound to the clusters by about 30 kcal/mol. The DFT-calculated structures of the [FHF-]-bearing clusters show that the favored interactions of the anions are with the methynic and acetylenic hydrogen atoms on the imidazolium cation, forming planar structures similar to those observed in the solid state. A second series of abundant negative ions was also formed that contained [SiF5-] together with the imidazolium cation and the fluorohydrogenate anions that originate from reaction of the spray solution with silicate surfaces.

  16. Methods for recalibration of mass spectrometry data

    DOE Patents [OSTI]

    Tolmachev, Aleksey V. (Richland, WA); Smith, Richard D. (Richland, WA)

    2009-03-03T23:59:59.000Z

    Disclosed are methods for recalibrating mass spectrometry data that provide improvement in both mass accuracy and precision by adjusting for experimental variance in parameters that have a substantial impact on mass measurement accuracy. Optimal coefficients are determined using correlated pairs of mass values compiled by matching sets of measured and putative mass values that minimize overall effective mass error and mass error spread. Coefficients are subsequently used to correct mass values for peaks detected in the measured dataset, providing recalibration thereof. Sub-ppm mass measurement accuracy has been demonstrated on a complex fungal proteome after recalibration, providing improved confidence for peptide identifications.

  17. Mass Spectrometry Analysis of Proteome-wide Proteolytic Post...

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

    Spectrometry Analysis of Proteome-wide Proteolytic Post-translational Degradation of Proteins. Mass Spectrometry Analysis of Proteome-wide Proteolytic Post-translational...

  18. accuracy mass spectrometry: Topics by E-print Network

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

    Milos 2 High Mass Accuracy and High Mass Resolving Power FT-ICR Secondary Ion Mass Spectrometry for Biological Tissue Imaging CERN Preprints Summary: Biological tissue imaging by...

  19. applying mass spectrometry: Topics by E-print Network

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

    *) Atomic composition Graham, Nick 4 Analytical Performance of Accelerator Mass Spectrometry and Liquid Scintillation Counting for Biotechnology Websites Summary: Analytical...

  20. Matrixassisted laser desorption/ionization mass spectrometric analysis of aliphatic biodegradable photoluminescent polymers

    E-Print Network [OSTI]

    Yang, Jian

    photoluminescent polymers using new ionic liquid matrices Carlos A. Serrano1 , Yi Zhang2 , Jian Yang2 and Kevin A elucidation of recently developed aliphatic biodegradable polymers by matrixassisted laser desorption/ionization mass spectrometry (MALDIMS). The polymers, formed by a condensation reaction of three components

  1. Glycoprotein profiling by electrospray mass spectrometry

    E-Print Network [OSTI]

    Jiang, Hui; Desaire, Heather; Butnev, V. Y.; Bousfield, George R.

    2004-05-01T23:59:59.000Z

    and protease by ultrafiltration 5 using Amicon (Millipore, Bedford, MA) Centricon P-10 centrifugal ultrafiltration cartridges [18]. The filtrate was evaporated to dryness in a Savant (Thermo-Savant, Holbrook, NY) SpeedVac. It was applied to a 150 mg Altech... and neutral loss scan, collision energy was set between 20 V and 40 V. Spectra were recorded between m/z 1000 and m/z 2000, unless specified. Ion trap mass spectrometry Electrospray mass spectra were recorded on a Thermo Finnigan LCQ Advantage mass...

  2. 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)

    2011-09-20T23:59:59.000Z

    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.

  3. Analysis of MALDI FT-ICR Mass Spectrometry Data: a Time Series Donald A. Barkauskasa, Scott R. Kronewitterb, Carlito B. Lebrillab, and David M. Rockec

    E-Print Network [OSTI]

    Rocke, David M.

    Analysis of MALDI FT-ICR Mass Spectrometry Data: a Time Series Approach Donald A. Barkauskasa/ionization Fourier transform ion cyclotron resonance mass spectrometry is a technique for high mass gamma distribution with varying scale parameter but constant shape parameter and exponent. This enables

  4. B American Society for Mass Spectrometry, 2011 DOI: 10.1007/s13361-011-0115-y

    E-Print Network [OSTI]

    Kim, Myung Soo

    @snu.ac.kr #12;ionization, (B) low-energy multiple CA in the plume, and (C) post-source high-energy CAB American Society for Mass Spectrometry, 2011 DOI: 10.1007/s13361-011-0115-y J. Am. Soc. Mass-Recognized in MALDI Mass Spectrometry Yong Jin Bae,1 Jeong Hee Moon,2 Myung Soo Kim1 1 Department of Chemistry, Seoul

  5. Secondary Ion Mass Spectrometry of Environmental Aerosols

    SciTech Connect (OSTI)

    Gaspar, Daniel J.; Cliff, John B.

    2010-08-01T23:59:59.000Z

    Atmospheric particles influence many aspects of climate, air quality and human health. Understanding the composition, chemistry and behavior of atmospheric aerosols is a key remaining challenge in improving climate models. Furthermore, particles may be traced back to a particular source based on composition, stable isotope ratios, or the presence of particular surface chemistries. Finally, the characterization of atmospheric particles in the workplace plays an important role in understanding the potential for exposure and environmental and human health effects to engineered and natural nanoscale particles. Secondary ion mass spectrometry (SIMS) is a useful tool in determining any of several aspects of the structure, composition and chemistry of these particles. Often used in conjunction with other surface analysis and electron microscopy methods, SIMS has been used to determine or confirm reactions on and in particles, the presence of particular organic species on the surface of atmospheric aerosols and several other interesting and relevant findings. Various versions of SIMS instruments – dynamic SIMS, time of flight secondary ion mass spectrometry or TOF-SIMS, nanoSIMS – have been used to determine specific aspects of aerosol structure and chemistry. This article describes the strengths of each type of SIMS instrument in the characterization of aerosols, along with guidance on sample preparation, specific characterization specific to the particular information sought in the analysis. Examples and guidance are given for each type of SIMS analysis.

  6. analytical mass spectrometry: Topics by E-print Network

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

    analytical methods for solving a variety of molecular structure problems. Among high. Extension of mass spectrometry to the analysis of high molecular weight materials,...

  7. Top-Down Mass Spectrometry Imaging of Intact Proteins by LAESI FT-ICR MS

    E-Print Network [OSTI]

    Kiss, András; Reschke, Brent R; Powell, Matthew J; Heeren, Ron M A

    2013-01-01T23:59:59.000Z

    Laser Ablation Electrospray Ionization is a recent development in mass spectrometry imaging. It has been shown that lipids and small metabolites can be imaged in various samples such as plant material, tissue sections or bacterial colonies without anysample pre-treatment. Further, laser ablation electrospray ionization has been shown to produce multiply charged protein ions from liquids or solid surfaces. This presents a means to address one of the biggest challenges in mass spectrometry imaging; the identification of proteins directly from biological tissue surfaces. Such identification is hindered by the lack of multiply charged proteins in common MALDI ion sources and the difficulty of performing tandem MS on such large, singly charged ions. We present here top-down identification of intact proteins from tissue with a LAESI ion source combined with a hybrid ion-trap FT-ICR mass spectrometer. The performance of the system was first tested with a standard protein with ECD and IRMPD fragmentation to prove the...

  8. Multinozzle Emitter Arrays for Nanoelectrospray Mass Spectrometry

    SciTech Connect (OSTI)

    Mao, Pan; Wang, Hung-Ta; Yang, Peidong; Wang, Daojing

    2011-06-16T23:59:59.000Z

    Mass spectrometry (MS) is the enabling technology for proteomics and metabolomics. However, dramatic improvements in both sensitivity and throughput are still required to achieve routine MS-based single cell proteomics and metabolomics. Here, we report the silicon-based monolithic multinozzle emitter array (MEA), and demonstrate its proof-of-principle applications in high-sensitivity and high-throughput nanoelectrospray mass spectrometry. Our MEA consists of 96 identical 10-nozzle emitters in a circular array on a 3-inch silicon chip. The geometry and configuration of the emitters, the dimension and number of the nozzles, and the micropillar arrays embedded in the main channel, can be systematically and precisely controlled during the microfabrication process. Combining electrostatic simulation and experimental testing, we demonstrated that sharpened-end geometry at the stem of the individual multinozzle emitter significantly enhanced the electric fields at its protruding nozzle tips, enabling sequential nanoelectrospray for the high-density emitter array. We showed that electrospray current of the multinozzle emitter at a given total flow rate was approximately proportional to the square root of the number of its spraying-nozzles, suggesting the capability of high MS sensitivity for multinozzle emitters. Using a conventional Z-spray mass spectrometer, we demonstrated reproducible MS detection of peptides and proteins for serial MEA emitters, achieving sensitivity and stability comparable to the commercial capillary emitters. Our robust silicon-based MEA chip opens up the possibility of a fully-integrated microfluidic system for ultrahigh-sensitivity and ultrahigh-throughput proteomics and metabolomics.

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

    E-Print Network [OSTI]

    Kim, Myung Soo

    mass spectrometry.7,8 The internal energy that ions acquire in the MALDI process or via colli- sional of high quality. Tandem mass spectrometry utilizing photodissociation (PD) with ultraviolet (UV) radiation be a viable alternative to CAD for tandem mass spectrometry of large molecules because the energy requirement

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

    SciTech Connect (OSTI)

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

    2014-07-21T23:59:59.000Z

    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.

  11. Laser desorption mass spectrometry for fast DNA analysis

    SciTech Connect (OSTI)

    Chen, C.H.; Ch`ang, L.Y.; Taranenko, N.I.; Allman, S.L.; Tang, K.; Matteson, K.J.

    1995-09-01T23:59:59.000Z

    During the past few years, major effort has been directed toward developing mass spectrometry to measure biopolymers because of the great potential benefit to biomedical research. Hellenkamp and his co-workers were the first to report that large polypeptide molecules can be ionized and detected without significant fragmentation when a greater number of nicotinic acid molecules are used as a matrix. This method is now well known as matrix-assisted laser desorption/ionization (MALDI). Since then, various groups have reported measurements of very large proteins by MALDI. Reliable protein analysis by MALDI is more or less well established. However, the application of MALDI to nucleic acids analysis has been found to be much more difficult. Most research on the measurement of nucleic acid by MALDI were stimulated by the Human Genome Project. Up to now, the only method for reliable routine analysis of nucleic acid is gel electrophoresis. Different sizes of nucleic acids can be separated in gel medium when a high electric field is applied to the gel. However, the time needed to separate different sizes of DNA segments usually takes from several minutes to several hours. If MALDI can be successfully used for nucleic acids analysis, the analysis time can be reduced to less than I millisecond. In addition, no tagging with radioactive materials or chemical dyes is needed. In this work, we will review recent progress related to MALDI for DNA analysis.

  12. 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.

    1993-01-01T23:59:59.000Z

    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.

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

    E-Print Network [OSTI]

    Â?umer, Slobodan

    for compositional analysis of solid surfaces and thin films. When a surface is bombarded by high energy beam! ! Secondary ion mass spectrometry (SIMS)! Seminar 4 (UN)! ! ! ! ! ! ! ! ! Author: Nina Kovacic! ___________________________________________________________________________! ABSTRACT! ! Secondary ion mass spectrometry (SIMS) is an analytical experimental technique, used

  14. 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

  15. Digital microfluidic sample preparation for biological mass spectrometry 

    E-Print Network [OSTI]

    Stokes, Adam A.

    2011-06-27T23:59:59.000Z

    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 ...

  16. Developing Fieldable Systems for Chemical Sensing Using Field Asymmetric Ion Mobility Spectrometry and Mass Spectrometry

    SciTech Connect (OSTI)

    Kevin Kyle, Stephan Weeks, R. Trainham

    2008-03-01T23:59:59.000Z

    Currently, there is an urgent need for field-rugged and field-programmable sensor systems that provide highly selective, universal monitoring of vapors and aerosols at detectable levels from persons or areas involved with illicit chemical/biological/explosives (CBE) production. These devices must be portable, low cost, robust, and provide accurate measurements to avoid both false positive and negative results. Furthermore, the information provided by the devices must be received in a timely manner so that informed decisions can be immediately made and the appropriate actions taken. Two technologies that are unparalleled in their sensitivity, selectivity, and trace-level detection capabilities are field asymmetric ion mobility spectrometry (FAIMS) and mass spectrometry. Here, we will show progress that has been made toward developing fieldable FAIMS systems and mass spectrometers. Working in collaboration with Sionex Corporation, the microDMx detector was equipped with a continuous air sampling system to develop selective methods for the analysis of compounds of interest. A microdiaphragm pump (KNF Neuberger, Inc.) is used to pull in gas-phase analytes directly from the air for separation and detection with the FAIMS system. The FAIMS evaluation platform (SVAC) unit currently measures 9.8-inch x 4.6-inch x 3.2-inch, weighs 3.1 lb, and utilizes a {sup 63}Ni source to ionize incoming compounds. Analytes entering the unit are separated and identified by their characteristic response to the compensation voltage (V{sub c}) at a given rf field strength (V{sub rf}). This response has been observed to be unique for a wide range of substances studied. If additional verification were required or a targeted analyte present in a complex chemical matrix, a FAIMS unit equipped with a fast gas chromatography column has been evaluated. The unit combines the separation capabilities of gas chromatography with the selectivity of FAIMS. It measures 9.5-inch x 5.25-inch x 3.5-inch, weighs 3.8 lb, and uses a 10.6 eV photoionization source. Analytes are identified both by their elution time from the column and by the characteristic response in the FAIMS spectrum. Analysis times required to obtain results for most analytes examined are less than three minutes. A fieldable mass spectrometer system is also being developed that includes sampling, ionization, mass selection and detection, vacuum technology, and analytical methodology with remote data transmission. Multiple methods for mass selection are being explored, including both Penning and Paul type ion traps as well as a quadrupole system to determine which is best suited for a portable mass spectrometer. Several ionization sources and ion counting methods will also be evaluated to establish their effectiveness with each system. The intended result of this project is a handheld mass spectrometer system capable of field deployment for the detection and identification of a wide range of gas-phase CBE species.

  17. Analytical Performance of Accelerator Mass Spectrometry and Liquid Scintillation Counting for

    E-Print Network [OSTI]

    Hammock, Bruce D.

    Analytical Performance of Accelerator Mass Spectrometry and Liquid Scintillation Counting for Accelerator Mass Spectrometry, Lawrence Livermore National Laboratory, 7000 East Avenue, Livermore, California of California, San Francisco, California 94143 Accelerator mass spectrometry (AMS) has been applied

  18. 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

    2012-09-01T23:59:59.000Z

    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.

  19. Atmospheric sampling glow discharge ionizataion and triple quadrupole tandem mass spectrometry for explosives vapor detection

    SciTech Connect (OSTI)

    McLuckey, S.A.; Goeringer, D.E.; Asano, K.G.; Hart, K.J.; Glish, G.L.; Grant, B.C.; Chambers, D.M.

    1993-08-01T23:59:59.000Z

    The detection and identification of trace vapors of hidden high explosives is an excellent example of a targeted analysis problem. It is desirable to push to ever lower levels the quantity or concentration of explosives material that provides an analytical signal, while at the same time discriminating against all other uninteresting material. The detection system must therefore combine high sensitivity with high specificity. This report describes the philosophy behind the use of atmospheric sampling glow discharge ionization, which is a sensitive, rugged, and convenient means for forming anions from explosives molecules, with tandem mass spectrometry, which provides unparalleled specificity in the identification of explosives-related ions. Forms of tandem mass spectrometry are compared and contrasted to provide a summary of the characteristics to be expected from an explosives detector employing mass spectrometry/mass spectrometry. The instrument developed for the FAA, an atmospheric sampling glow discharge/triple quadrupole mass spectrometer, is described in detail with particular emphasis on the ion source/spectrometer interface and on the capabilities of the spectrometer. Performance characteristics of the system are also described as they pertain to explosives of interest including a description of an automated procedure for the detection and identification of specific explosives. A comparison of various tandem mass spectrometers mated with atmospheric sampling glow discharge is then described and preliminary studies with a vapor preconcentration system provided by the FAA will be described.

  20. Small system for tritium accelerator mass spectrometry

    DOE Patents [OSTI]

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

    1993-02-23T23:59:59.000Z

    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.

  1. Small system for tritium accelerator mass spectrometry

    DOE Patents [OSTI]

    Roberts, Mark L. (Livermore, CA); Davis, Jay C. (Livermore, CA)

    1993-01-01T23:59:59.000Z

    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. Toward Plasma Proteome Profiling with Ion Mobility-Mass Spectrometry

    E-Print Network [OSTI]

    Clemmer, David E.

    Toward Plasma Proteome Profiling with Ion Mobility-Mass Spectrometry Stephen J. Valentine, Manolo D) analysis of a plasma digest sample where abundant proteins have not been removed. Protein database searches- for comparative plasma profiling studies. Keywords: ion mobility spectrometry · proteome profiling

  3. Mass Spectrometry-based Methods for Phosphorylation Site Mapping of

    E-Print Network [OSTI]

    Shou, Wenying

    Mass Spectrometry-based Methods for Phosphorylation Site Mapping of Hyperphosphorylated Proteins spectrometry-based approach. No one approach was able to identify all phosphopeptides in the tryptic digests and detected by scintillation counting or autoradiography. The HPLC fraction or excised TLC spot is subjected

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

    SciTech Connect (OSTI)

    Not Available

    2011-07-01T23:59:59.000Z

    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.

  5. accelerator mass spectrometry: Topics by E-print Network

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

    Bousfield, George R. 2004-05-01 25 High performance ?Cf plasma desorption mass spectrometry Texas A&M University - TxSpace Summary: Track and the Dissemination of Energy. . ....

  6. Secondary Ion Mass Spectrometry Imaging of Dictyostelium discoideum...

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

    report, we employed Bi3 bombardment time-of-flight (Bi3 ToF-SIMS) and C60 bombardment Fourier transform ion cyclotron resonance secondary ion mass spectrometry (C60 FTICR-SIMS) to...

  7. Accelerator mass spectrometry: from nuclear physics to dating

    SciTech Connect (OSTI)

    Kutschera, W.

    1982-01-01T23:59:59.000Z

    The discussion reviews the use of accelerators originally intended for nuclear physics to do high resolution mass spectrometry for the purpose of isotope dating and age estimation of materials. (GHT)

  8. Brominated Tyrosine and Polyelectrolyte Multilayer Analysis by Laser Desorption VUV Postionization and Secondary Ion Mass Spectrometry

    SciTech Connect (OSTI)

    University of Illinois at Chicago; Blaze, Melvin M. T.; Takahashi, Lynelle; Zhou, Jia; Ahmed, Musahid; Gasper, Gerald; Pleticha, F. Douglas; Hanley, Luke

    2011-03-14T23:59:59.000Z

    The small molecular analyte 3,5-dibromotyrosine (Br2Y) and chitosan-alginate polyelectrolyte multilayers (PEM) with and without adsorbed Br2Y were analyzed by laser desorption postionization mass spectrometry (LDPI-MS). LDPI-MS using 7.87 eV laser and tunable 8 ? 12.5 eV synchrotron vacuum ultraviolet (VUV) radiation found that desorption of clusters from Br2Y films allowed detection by?8 eV single photon ionization. Thermal desorption and electronic structure calculations determined the ionization energy of Br2Y to be ~;;8.3?0.1 eV and further indicated that the lower ionization energies of clusters permitted their detection at?8 eV photon energies. However, single photon ionization could only detect Br2Y adsorbed within PEMs when using either higher photon energies or matrix addition to the sample. All samples were also analyzed by 25 keV Bi3 + secondary ion mass spectrometry (SIMS), with the negative ion spectra showing strong parent ion signal which complemented that observed by LDPI-MS. The negative ion SIMS depended strongly on the high electron affinity of this specific analyte and the analyte?s condensed phase environment.

  9. RAPID COMMUNICATIONS IN MASS SPECTROMETRY Rapid Commun. Mass Spectrom. 2005; 19: 32483252

    E-Print Network [OSTI]

    Kim, Myung Soo

    to be that photofragment ions generated at this wavelength are similar to those from low- and high-energy CAD, and are thusRAPID COMMUNICATIONS IN MASS SPECTROMETRY Rapid Commun. Mass Spectrom. 2005; 19: 3248 of singly protonated peptides at 193 nm investigated with tandem time-of-flight mass spectrometry Jeong Hee

  10. RAPID COMMUNICATIONS IN MASS SPECTROMETRY Rapid Commun. Mass Spectrom. 2005; 19: 24812487

    E-Print Network [OSTI]

    Kim, Myung Soo

    chromophore dissociated efficiently when a suf- ficiently high laser pulse energy was used. Also, the pulseRAPID COMMUNICATIONS IN MASS SPECTROMETRY Rapid Commun. Mass Spectrom. 2005; 19: 2481 time-of- flight (TOF) mass spectrometry of ions generated by matrix-assisted laser desorption

  11. Compositional Analysis of the High Molecular Weight Ethylene Oxide Propylene Oxide Copolymer by MALDI Mass Spectrometry

    E-Print Network [OSTI]

    Houshia, Orwa Jaber

    2012-01-01T23:59:59.000Z

    The composition of narrow distribution poly ethylene oxide-propylene oxide copolymer (Mw ~ 8700 Da) was studied using matrix assisted laser desorption ionization (MALDI) mass spectrometry. The ethylene oxide-propylene oxide copolymer produced oligomers separated by 14 Da. The average resolving power over the entire spectrum was 28,000. Approximately 448 isotopically resolved peaks representing about 56 oligomers are identified. Although agreement between experimental and calculated isotopic distributions was strong, the compositional assignment was difficult. This is due to the large number of possible isobaric components. The purpose of this research is to resolve and study the composition of high mass copolymer such as ethylene oxide-propylene oxide.

  12. Facilitation of protein 3-D structure determination using enhanced peptide amide deuterium exchange mass spectrometry (DXMS)

    E-Print Network [OSTI]

    Pantazatos, Dennis Peter

    2006-01-01T23:59:59.000Z

    and Energy Change at High Resolution Employing Enhanced Peptide Amide Deuterium Exchange- Mass Spectrometry (

  13. Determination of the stellar (n,$\\gamma$) cross section of $^{54}Fe$ with accelerator mass spectrometry

    E-Print Network [OSTI]

    Coquard, L; Dillmann, I; Wallner, A; Knie, K; Kutschera, W

    2006-01-01T23:59:59.000Z

    Determination of the stellar (n,$\\gamma$) cross section of $^{54}Fe$ with accelerator mass spectrometry

  14. Apparatus for preparing a sample for mass spectrometry

    DOE Patents [OSTI]

    Villa-Aleman, Eliel (Aiken, SC)

    1994-01-01T23:59:59.000Z

    An apparatus 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.

  15. Apparatus for preparing a sample for mass spectrometry

    DOE Patents [OSTI]

    Villa-Aleman, E.

    1994-05-10T23:59:59.000Z

    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.

  16. Synchrotron based mass spectrometry to investigate the molecular properties of mineral-organic associations

    SciTech Connect (OSTI)

    Liu, Suet Yi; Kleber, Markus; Takahashi, Lynelle K.; Nico, Peter; Keiluweit, Marco; Ahmed, Musahid

    2013-04-01T23:59:59.000Z

    Soil organic matter (OM) is important because its decay drives life processes in the biosphere. Analysis of organic compounds in geological systems is difficult because of their intimate association with mineral surfaces. To date there is no procedure capable of quantitatively separating organic from mineral phases without creating artifacts or mass loss. Therefore, analytical techniques that can (a) generate information about both organic and mineral phases simultaneously and (b) allow the examination of predetermined high-interest regions of the sample as opposed to conventional bulk analytical techniques are valuable. Laser Desorption Synchrotron Postionization (synchrotron-LDPI) mass spectrometry is introduced as a novel analytical tool to characterize the molecular properties of organic compounds in mineral-organic samples from terrestrial systems, and it is demonstrated that when combined with Secondary Ion Mass Spectrometry (SIMS), can provide complementary information on mineral composition. Mass spectrometry along a decomposition gradient in density fractions, verifies the consistency of our results with bulk analytical techniques. We further demonstrate that by changing laser and photoionization energies, variations in molecular stability of organic compounds associated with mineral surfaces can be determined. The combination of synchrotron-LDPI and SIMS shows that the energetic conditions involved in desorption and ionization of organic matter may be a greater determinant of mass spectral signatures than the inherent molecular structure of the organic compounds investigated. The latter has implications for molecular models of natural organic matter that are based on mass spectrometric information.

  17. Ion Mobility Mass Spectrometry Direct Isotope Abundance Analysis

    SciTech Connect (OSTI)

    Manuel J. Manard, Stephan Weeks, Kevin Kyle

    2010-05-27T23:59:59.000Z

    The nuclear forensics community is currently engaged in the analysis of illicit nuclear or radioactive material for the purposes of non-proliferations and attribution. One technique commonly employed for gathering nuclear forensics information is isotope analysis. At present, the state-of-the-art methodology for obtaining isotopic distributions is thermal ionization mass spectrometry (TIMS). Although TIMS is highly accurate at determining isotope distributions, the technique requires an elementally pure sample to perform the measurement. The required radiochemical separations give rise to sample preparation times that can be in excess of one to two weeks. Clearly, the nuclear forensics community is in need of instrumentation and methods that can expedite their decision making process in the event of a radiological release or nuclear detonation. Accordingly, we are developing instrumentation that couples a high resolution IM drift cell to the front end of a MS. The IM cell provides a means of separating ions based upon their collision cross-section and mass-to-charge ratio (m/z). Two analytes with the same m/z, but with different collision cross-sections (shapes) would exit the cell at different times, essentially enabling the cell to function in a similar manner to a gas chromatography (GC) column. Thus, molecular and atomic isobaric interferences can be effectively removed from the ion beam. The mobility selected chemical species could then be introduced to a MS for high-resolution mass analysis to generate isotopic distributions of the target analytes. The outcome would be an IM/MS system capable of accurately measuring isotopic distributions while concurrently eliminating isobaric interferences and laboratory radiochemical sample preparation. The overall objective of this project is developing instrumentation and methods to produce near real-time isotope distributions with a modular mass spectrometric system that performs the required gas-phase chemistry and separations. The system couples a high-resolution ion mobility (IM) drift cell to the front end of a mass spectrometer (MS) allowing for chemical separation prior to isotope distribution analyses. This will yield isotope ratio measurement capabilities with minimal sample preparation.

  18. Mass-Analyzed Threshold Ionization (MATI) Spectroscopy of Atoms and Molecules using VUV Synchrotron Radiation

    SciTech Connect (OSTI)

    Kostko, Oleg; Kim, Sang Kyu; Leone, Stephen R.; Ahmed, Musahid

    2009-01-28T23:59:59.000Z

    Mass-analyzed threshold ionization (MATI) spectroscopy using synchrotron radiation (Advanced Light Source, Lawrence Berkeley National Laboratory) has been performed for Ar, N2, O2, N2O, H2O, C2H2, and C6H6. MATI allows for a better determination of ionization energies compared to those derived from photoionization efficiency curves traditionally used in synchrotron photoionization mass spectrometry. The separation of the long-lived Rydberg state from the directly-formed prompt ion, essential for a meaningful MATI spectrum, has been accomplished by employing an arrangement of ion optics coupled to unique electric-field pulsing schemes. For Ar, a number of resolved bands below the ionization energy are observed, and these are ascribed to high-n,l Rydberg states prepared in the MATI scheme. The first vibrational stateresolved MATI spectra of N2 and O2 are reported and spectral characteristics are discussed in comparison with previously-reported threshold photoelectron spectroscopic studies. While MATI performed with synchrotron radiation is intrinsically less sensitive compared to laser based sources, this work demonstrates that MATI spectroscopy performed with widely tunable VUV radiation is a complementary technique for studying the ionization spectroscopy of polyatomic molecules.

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

    E-Print Network [OSTI]

    Piper, Duane Gilbert

    1976-01-01T23:59:59.000Z

    Cf-PLASMA DESORPTION MASS SPECTROMETRY OF RNA NUCLEOSIDES A Thesis by DUANE GILBERT PIPER, JR. Submitted to the Graduate College of Texas ASM University in partial fulfillment of the requirement for the degree of MASTER OF SCIENCE December... 1976 Major Subject: Chemistry Cf-PLASMA DESORPTION MASS SPECTROMETRY OF RNA NUCLEOSIDES A Thesis by DUANE GILI3ERT PIPER, JR. Approved as to style and content by: ttee ea o epartment Zd-. 4~ee- er Mei er em er December 1976 @~GM1 ABSTRACT...

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

    ScienceCinema (OSTI)

    Bowen, Ben

    2014-06-24T23:59:59.000Z

    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.

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

    SciTech Connect (OSTI)

    Bowen, Ben

    2013-10-31T23:59:59.000Z

    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.

  2. Accelerator mass spectrometry as a bioanalytical tool for nutritional research

    SciTech Connect (OSTI)

    Vogel, J.S.; Turteltaub, K.W.

    1997-09-01T23:59:59.000Z

    Accelerator Mass Spectrometry is a mass spectrometric method of detecting long-lived radioisotopes without regard to their decay products or half-life. The technique is normally applied to geochronology, but recently has been developed for bioanalytical tracing. AMS detects isotope concentrations to parts per quadrillion, quantifying labeled biochemicals to attomole levels in milligram- sized samples. Its advantages over non-isotopeic and stable isotope labeling methods are reviewed and examples of analytical integrity, sensitivity, specificity, and applicability are provided.

  3. Absorption Mode FT-ICR Mass Spectrometry Imaging

    SciTech Connect (OSTI)

    Smith, Donald F.; Kilgour, David P.; Konijnenburg, Marco; O'Connor, Peter B.; Heeren, Ronald M.

    2013-12-03T23:59:59.000Z

    Fourier transform ion cyclotron resonance mass spectrometry offers the highest mass resolving power for molecular imaging experiments. This high mass resolving power ensures that closely spaced peaks at the same nominal mass are resolved for proper image generation. Typically higher magnetic fields are used to increase mass resolving power. However, a gain in mass resolving power can also be realized by phase correction of the data for absorption mode display. In addition to mass resolving power, absorption mode offers higher mass accuracy and signal-to-noise ratio over the conventional magnitude mode. Here we present the first use of absorption mode for Fourier transform ion cyclotron resonance mass spectrometry imaging. The Autophaser algorithm is used to phase correct each spectrum (pixel) in the image and then these parameters are used by the Chameleon work-flow based data processing software to generate absorption mode ?Datacubes? for image and spectral viewing. Absorption mode reveals new mass and spatial features that are not resolved in magnitude mode and results in improved selected ion image contrast.

  4. Tandem Mass Spectrometry identifies many mouse brain O-GlcNAcylated...

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

    Tandem Mass Spectrometry identifies many mouse brain O-GlcNAcylated proteins including EGF domain-specific O-GlcNAc transferase Tandem Mass Spectrometry identifies many mouse brain...

  5. High-Resolution Desorption Electrospray Ionization Mass Spectrometry...

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

    between different mechanisms of chemical aging. Citation: Laskin J, A Laskin, PJ Roach, GW Slysz, GA Anderson, S Nizkorodov, DL Bones, and L Nguyen.2010."High-Resolution...

  6. 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.

    2011-12-18T23:59:59.000Z

    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.

  7. assisted resonance ionization: Topics by E-print Network

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

    Y; Oufni, L 2012-01-01 44 Applications of Chemometric Algorithms to Ion Mobility Spectrometry and Matrix Assisted Laser DesorptionIonization Time-of-Flight Mass Spectrometry....

  8. assisted laser ionization: Topics by E-print Network

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

    Y; Oufni, L 2012-01-01 11 Applications of Chemometric Algorithms to Ion Mobility Spectrometry and Matrix Assisted Laser DesorptionIonization Time-of-Flight Mass Spectrometry....

  9. Chip-Scale Quadrupole Mass Filters for Portable Mass Spectrometry

    E-Print Network [OSTI]

    Cheung, Kerry

    We report the design, fabrication, and characterization of a new class of chip-scale quadrupole mass filter (QMF). The devices are completely batch fabricated using a wafer-scale process that integrates the quadrupole ...

  10. Faradaurate-940: Synthesis, Mass Spectrometry, STEM, PDF, and SAXS Study of Au~940(SR)~160 Nanocrystals

    SciTech Connect (OSTI)

    Kumara, Chanaka [University of Mississippi, The; Zuo, Xiaobing [Advanced Photon Source, Argonne National Laboratory (ANL); Cullen, David A [ORNL; Dass, Amala [University of Mississippi, The

    2014-01-01T23:59:59.000Z

    Obtaining monodisperse nanocrystals, and determining its composition to the atomic level and its atomic structure is highly desirable, but is generally lacking. Here, we report the discovery and comprehensive characterization of a 3-nm plasmonic nanocrystal with a composition of Au940 20(SCH2CH2Ph)160 4, which is, the largest mass spectrometrically characterized gold thiolate nanoparticle produced to date. The compositional assignment has been made using electrospray ionization (ESI) and matrix assisted laser desorption ionization (MALDI) mass spectrometry (MS). The MS results show an unprecedented size monodispersity, where the number of Au atoms vary by only 40 atoms (940 20). The mass spectrometrically-determined size and composition are supported by aberration-corrected scanning transmission electron microscopy (STEM) and synchrotron-based methods such as atomic pair distribution function (PDF) and small angle X-ray scattering (SAXS). Lower resolution STEM images show an ensemble of particles 1000 s per frame visually demonstrating monodispersity. Modelling of SAXS on statistically significant nanoparticle population approximately 1012 individual nanoparticles - shows that the diameter is 3.0 0.2nm, supporting mass spectrometry and electron microscopy results on monodispersity. Atomic PDF based on high energy X-ray diffraction experiments show decent match with either a Marks decahedral or truncated octrahedral structure. Atomic resolution STEM images of single particles and its FFT suggest face-centered cubic (fcc) arrangement. UV-visible spectroscopy data shows that the 940-atom size supports a surface plasmon resonance peak at 505 nm. These monodisperse plasmonic nanoparticles minimize averaging effects and has potential application in solar cells, nano-optical devices, catalysis and drug delivery.

  11. Miniature quadrupole mass spectrometer having a cold cathode ionization source

    DOE Patents [OSTI]

    Felter, Thomas E. (Livermore, CA)

    2002-01-01T23:59:59.000Z

    An improved quadrupole mass spectrometer is described. The improvement lies in the substitution of the conventional hot filament electron source with a cold cathode field emitter array which in turn allows operating a small QMS at much high internal pressures then are currently achievable. By eliminating of the hot filament such problems as thermally "cracking" delicate analyte molecules, outgassing a "hot" filament, high power requirements, filament contamination by outgas species, and spurious em fields are avoid all together. In addition, the ability of produce FEAs using well-known and well developed photolithographic techniques, permits building a QMS having multiple redundancies of the ionization source at very low additional cost.

  12. 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

    2010-08-04T23:59:59.000Z

    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.

  13. 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)

    2008-05-06T23:59:59.000Z

    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.

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

    SciTech Connect (OSTI)

    J Kiselar; M Chance

    2011-12-31T23:59:59.000Z

    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.

  15. Toward a Fieldable Atomic Mass Spectrometer for Safeguards Applications: Sample Preparation and Ionization

    SciTech Connect (OSTI)

    Barinaga, Charles J.; Hager, George J.; Hart, Garret L.; Koppenaal, David W.; Marcus, R. Kenneth; Jones, Sarah MH; Manard, Benjamin T.

    2014-10-31T23:59:59.000Z

    The International Atomic Energy Agency’s (IAEA’s) long-term research and development plan calls for the development of new methods to detect misuse at nuclear fuel cycle facilities such as reprocessing and enrichment plants. At enrichment plants, for example, the IAEA’s contemporary safeguards approaches are based on a combination of routine and random inspections that include collection of UF6 samples from in-process material and selected cylinders for subsequent analyses. These analyses include destructive analysis (DA) in a laboratory (typically by mass spectrometry [MS]) for isotopic characterization, and environmental sampling (ES) for subsequent laboratory elemental and isotopic analysis (also both typically by MS). One area of new method development includes moving this kind of isotope ratio analytical capability for DA and ES activities into the field. Some of the reasons for these developments include timeliness of results, avoidance of hazardous material shipments, and guidance for additional sample collecting. However, this capability does not already exist for several reasons, such as that most lab-based chemical and instrumental methods rely on laboratory infrastructure (highly trained staff, power, space, hazardous material handling, etc.) and require significant amounts of consumables (power, compressed gases, etc.). In addition, there are no currently available, fieldable instruments for atomic or isotope ratio analysis. To address these issues, Pacific Northwest National Laboratory (PNNL) and collaborator, Clemson University, are studying key areas that limit the fieldability of isotope ratio mass spectrometry for atomic ions: sample preparation and ionization, and reducing the physical size of a fieldable mass spectrometer. PNNL is seeking simple and robust techniques that could be effectively used by inspectors who may have no expertise in analytical MS. In this report, we present and describe the preliminary findings for three candidate techniques: matrix-assisted laser desorption/ionization (MALDI) MS, liquid sampling-atmospheric pressure glow discharge (LS-APGD), and laser ablation/ionization (LAI) MS at atmospheric pressure. Potential performance metrics for these techniques will be presented, including detectability, response, isotope ratio accuracy and precision, and ease of use.

  16. Fission Yield Measurements by Inductively Coupled Plasma Mass-Spectrometry

    SciTech Connect (OSTI)

    Irina Glagolenko; Bruce Hilton; Jeffrey Giglio; Daniel Cummings; Karl Grimm; Richard McKnight

    2009-11-01T23:59:59.000Z

    Correct prediction of the fission products inventory in irradiated nuclear fuels is essential for accurate estimation of fuel burnup, establishing proper requirements for spent fuel transportation and storage, materials accountability and nuclear forensics. Such prediction is impossible without accurate knowledge of neutron induced fission yields. Unfortunately, the accuracy of the fission yields reported in the ENDF/B-VII.0 library is not uniform across all of the data and much of the improvement is desired for certain isotopes and fission products. We discuss our measurements of cumulative fission yields in nuclear fuels irradiated in thermal and fast reactor spectra using Inductively Coupled Plasma Mass Spectrometry.

  17. atomic mass spectrometry: Topics by E-print Network

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

    Negative *) Atomic composition Graham, Nick 3 Prospects in Analytical Atomic Spectrometry CERN Preprints Summary: Tendencies in five main branches of atomic spectrometry...

  18. Efficient Analysis of Mass Spectrometry Data Using the Isotope Wavelet

    SciTech Connect (OSTI)

    Hussong, Rene; Hildebrandt, Andreas [Center for Bioinformatics, Computer Science Department, Saarland University, 66041 Saarbruecken (Germany); Tholey, Andreas [Center for Bioinformatics, Institute of Biochemical Engineering, Functional Proteomics Group, Saarland University, 66041 Saarbruecken (Germany)

    2007-09-18T23:59:59.000Z

    Mass spectrometry (MS) has become today's de-facto standard for high-throughput analysis in proteomics research. Its applications range from toxicity analysis to MS-based diagnostics. Often, the time spent on the MS experiment itself is significantly less than the time necessary to interpret the measured signals, since the amount of data can easily exceed several gigabytes. In addition, automated analysis is hampered by baseline artifacts, chemical as well as electrical noise, and an irregular spacing of data points. Thus, filtering techniques originating from signal and image analysis are commonly employed to address these problems. Unfortunately, smoothing, base-line reduction, and in particular a resampling of data points can affect important characteristics of the experimental signal. To overcome these problems, we propose a new family of wavelet functions based on the isotope wavelet, which is hand-tailored for the analysis of mass spectrometry data. The resulting technique is theoretically well-founded and compares very well with standard peak picking tools, since it is highly robust against noise spoiling the data, but at the same time sufficiently sensitive to detect even low-abundant peptides.

  19. Mass spectrometry-based proteomics: existing capabilities and future directions

    SciTech Connect (OSTI)

    Angel, Thomas E.; Aryal, Uma K.; Hengel, Shawna M.; Baker, Erin Shammel; Kelly, Ryan T.; Robinson, Errol W.; Smith, Richard D.

    2012-05-21T23:59:59.000Z

    Mass spectrometry-based proteomics provides a means for identification, characterization, and quantification of biomolecules that are integral components of the processes essential for life. Characterization of proteins present in a biological system at the proteome and sub-proteomes (e.g., the phosphoproteome, proteoglycome, or degradome/peptidome) levels provides a foundation for understanding fundamental aspects as well as potentially a range of translational applications. Emerging technologies such as ion mobility separations coupled with mass spectrometry and microchip-based - proteome measurements combined with continued enhancement of MS instrumentation and separation techniques, such as reversed phase liquid chromatography and potentially capillary electrophoresis, show great promise for both broad undirected as well as targeted measurements and will be critical for e.g., the proteome-wide characterization of post translational modifications and identification, or the verification, and validation of potential biomarkers of disease. MS-based proteomics is also increasingly demonstrating great potential for contributing to our understanding of the dynamics, reactions, and roles proteins and peptides play advancing our understanding of biology on a system wide level for a wide range of applications, from investigations of microbial communities, bioremediation, and human health and disease states alike.

  20. Facilities: NHMFL 9.4 Tesla Fourier Transform Ion Cyclotron Resonance Mass Spectrometer Citation: Characterization of Pine Pellet and Peanut Hull Pyrolysis of Bio-Oils by Negative-Ion Electrospray Ionization Fourier

    E-Print Network [OSTI]

    Weston, Ken

    Facilities: NHMFL 9.4 Tesla Fourier Transform Ion Cyclotron Resonance Mass Spectrometer Citation Fourier Transform Ion Cyclotron Resonance Mass Spectrometry, Jacqueline M. Jarvis, Amy M. McKenna, Roger N and aqueous phases. Here, each phase is characterized by negative-ion electrospray ionization Fourier

  1. Mass spectrometry-guided genome mining of peptidic and glycosylated microbial natural products

    E-Print Network [OSTI]

    Kersten, Roland David

    mass spectrometry-guided genome mining approach for naturalBioactivity-guided genome mining identifies the lomaiviticinspectrometry and genome mining via short sequence tagging

  2. Method for predicting peptide detection in mass spectrometry

    DOE Patents [OSTI]

    Kangas, Lars [West Richland, WA; Smith, Richard D [Richland, WA; Petritis, Konstantinos [Richland, WA

    2010-07-13T23:59:59.000Z

    A method of predicting whether a peptide present in a biological sample will be detected by analysis with a mass spectrometer. The method uses at least one mass spectrometer to perform repeated analysis of a sample containing peptides from proteins with known amino acids. The method then generates a data set of peptides identified as contained within the sample by the repeated analysis. The method then calculates the probability that a specific peptide in the data set was detected in the repeated analysis. The method then creates a plurality of vectors, where each vector has a plurality of dimensions, and each dimension represents a property of one or more of the amino acids present in each peptide and adjacent peptides in the data set. Using these vectors, the method then generates an algorithm from the plurality of vectors and the calculated probabilities that specific peptides in the data set were detected in the repeated analysis. The algorithm is thus capable of calculating the probability that a hypothetical peptide represented as a vector will be detected by a mass spectrometry based proteomic platform, given that the peptide is present in a sample introduced into a mass spectrometer.

  3. In situ characterization of GaN quantum dot growth with reflection high-energy electron diffraction and line-of-sight mass spectrometry

    E-Print Network [OSTI]

    Brown, J S; Koblmuller, G; Averbeck, R; Riechert, H; Speck, J S

    2006-01-01T23:59:59.000Z

    mass spectrometry and re?ection high-energy electronmass spectrometry ?QMS? and re?ection high-energy electron

  4. Ga adsorbate on (0001) GaN: In situ characterization with quadrupole mass spectrometry and reflection high-energy electron diffraction

    E-Print Network [OSTI]

    Brown, J S; Koblmuller, G; Wu, F; Averbeck, R; Riechert, H; Speck, J S

    2006-01-01T23:59:59.000Z

    mass spectrometry and re?ection high-energy electronmass spectrometry ?QMS? and re?ection high-energy electron

  5. 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

    2014-12-01T23:59:59.000Z

    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.

  6. Low-level 14C measurements and Accelerator Mass Spectrometry

    SciTech Connect (OSTI)

    Litherland, A.E.; Beukens, R.P.; Zhao, X.-L.; Kieser, W.E. [IsoTrace Laboratory, University of Toronto, Toronto, ON, M5S 1A7 (Canada); Gove, H.E. [IsoTrace Laboratory, University of Toronto, Toronto, ON, M5S 1A7 (Canada); Department of Physics and Astronomy, University of Rochester, Rochester, NY, 14627-0171 (United States)

    2005-09-08T23:59:59.000Z

    Accelerator Mass Spectrometry (AMS) and isotope enrichment were used in 1991 to estimate that the 14C content of methane in natural gas was {<=}1.6x10-18 of the total carbon. The low content of 14C in underground hydrocarbons was verified later in the remarkable results from the Borexino test scintillation counter for solar neutrino studies. Since then studies of the 14C background problem have demonstrated that much of the background originally observed in the AMS measurements can, in principle, be eliminated. However, many difficulties and other backgrounds are to be faced as the limit for AMS is pushed still further towards possibly a ratio of < 10-21. These will be discussed.

  7. High-Speed Tandem Mass Spectrometric in Situ Imaging by Nanospray...

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

    in Situ Imaging by Nanospray Desorption Electrospray Ionization Mass Spectrometry. High-Speed Tandem Mass Spectrometric in Situ Imaging by Nanospray Desorption Electrospray...

  8. International Journal of Mass Spectrometry 287 (2009) 105113 Contents lists available at ScienceDirect

    E-Print Network [OSTI]

    Wysocki, Vicki H.

    to deposit more internal energy into these clusters, providing access to alternative, high energyInternational Journal of Mass Spectrometry 287 (2009) 105­113 Contents lists available at ScienceDirect International Journal of Mass Spectrometry journal homepage: www.elsevier.com/locate/ijms Influence of cluster

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

    E-Print Network [OSTI]

    OpenMSI: A High-Performance Web-Based Platform for Mass Spectrometry Imaging Oliver Rübel, AnnetteMSI: A High-Performance Web-Based Platform for Mass Spectrometry Imaging Oliver Rubel,* Annette Greiner. Acknowledgements: This work was supported by and used resources of the National Energy Research Scientific

  10. JOURNAL OF MASS SPECTROMETRY, VOL. 31, 339-350 (1996) SPECIAL FEATURE

    E-Print Network [OSTI]

    Wysocki, Vicki H.

    fragmentation mechanisms of protonated peptides is discussed and demonstrated. High internal energy deposition in understandingpeptide fragmentation by low-energy tandem mass spectrometry. KEYWORDS: surface-induced dissociationJOURNAL OF MASS SPECTROMETRY, VOL. 31, 339-350 (1996) SPECIAL FEATURE: PERSPECTIVE Surface

  11. DOI: 10.1002/cbic.200900417 Combining Mass Spectrometry and Peptide Arrays to Profile the

    E-Print Network [OSTI]

    Mrksich, Milan

    DOI: 10.1002/cbic.200900417 Combining Mass Spectrometry and Peptide Arrays to Profile*[a] This paper introduces the use of mass spectrometry to analyze peptide arrays for applications in profiling enzyme specificity. The strategy is illustrated with arrays containing 361 acetylated peptides to profile

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

    E-Print Network [OSTI]

    California at Davis, University of

    Human vitamin B12 absorption measurement by accelerator mass spectrometry using specifically for Accelerator Mass Spectrometry, Lawrence Livermore National Laboratory, Livermore, CA 94551 is the suspected cause. The test involves ingestion of a physiological quantity of B12 labeled with gamma

  13. 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

    2014-02-03T23:59:59.000Z

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

  14. Size Characterization of Colloidal Platinum Nanoparticles by MALDI-TOF Mass Spectrometry

    SciTech Connect (OSTI)

    Navin, Jason K.; Grass, Michael E.; Somorjai, Gabor A.; Marsh, Anderson L.

    2009-08-15T23:59:59.000Z

    In this work, matrix assisted laser desorption ionization-time-of-flight (MALDI-TOF) mass spectrometry (MS) has been utilized to characterize colloidal platinum nanoparticles synthesized in the 1-4 nm size range. The nanoparticles were prepared via a solution-based method in which the size could be controlled by varying reaction conditions, such as the alcohol used as the reductant. Poly(vinylpyrrolidone), or PVP, (MW = 29,000 g/mol) was employed as a capping agent to stabilize the synthesized nanoparticles in solution. A model for determining the size of the metallic nanoparticle core from MALDI-TOF mass spectra has been developed and verified through correlation with particle sizes from transmission electron microscopy (TEM) and X-ray diffraction (XRD) measurements. In this model it was assumed that 1.85 nm nanoparticles are capped by one PVP chain, which was verified through experiments performed with capped and uncapped nanoparticles. Larger nanoparticles are capped by either two (2.60 and 2.94 nm) or three (3.69 nm) PVP chains. These findings clearly indicate the usefulness of MALDI-TOF MS as a technique for fully characterizing nanoscale materials in order to elucidate structure-property relationships.

  15. Method for analyzing the mass of a sample using a cold cathode ionization source mass filter

    DOE Patents [OSTI]

    Felter, Thomas E.

    2003-10-14T23:59:59.000Z

    An improved quadrupole mass spectrometer is described. The improvement lies in the substitution of the conventional hot filament electron source with a cold cathode field emitter array which in turn allows operating a small QMS at much high internal pressures then are currently achievable. By eliminating of the hot filament such problems as thermally "cracking" delicate analyte molecules, outgassing a "hot" filament, high power requirements, filament contamination by outgas species, and spurious em fields are avoid all together. In addition, the ability of produce FEAs using well-known and well developed photolithographic techniques, permits building a QMS having multiple redundancies of the ionization source at very low additional cost.

  16. Molecular primary probe for secondary ion mass spectrometry of organics

    SciTech Connect (OSTI)

    Appelhans, A.D.; Delmore, J.E.

    1988-01-01T23:59:59.000Z

    In the course of development of a fast, highly focused neutral molecular primary beam probe for Secondary Ion Mass Spectrometry (SIMS), the question as to the relative efficiency of a molecule versus an atom for producing secondary ions of organic molecules was raised. Theoretical and experimental studies have indicated sputtering efficiency should increase as more energy is deposited near the surface. This would seem to be especially true when trying to sputter large organic molecules that must be desorbed from the surface with minimum molecular heating to remain intact. The kinetic energy of an SF6 molecule is distributed among 7 atoms and the SF6 molecule is large (geometrically) compared to an atom. Thus although at equivalent accelerating voltages an SF6/sup /minus// molecular ion (146 u) and a Cs atomic ion (133 u) deposit nearly the same amount of energy, the spatial distribution of this energy on surface will be quite different. The SF6 molecule will deposit more energy near the surface. To determine if this results in more efficient sputtering of molecules residing on the surface we have compared the SF6 molecular beam with a Cs atomic ion beam under organic static SIMS conditions. 5 refs., 1 tab.

  17. Trace elements in coal by glow discharge mass spectrometry

    SciTech Connect (OSTI)

    Jacobs, M.L.; Wilson, C.R.; Pestovich, J. Jr. [WAL Inc., Wheat Ridge, CO (United States)] [and others

    1995-08-01T23:59:59.000Z

    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.

  18. MAINTAINING HIGH RESOLUTION MASS SPECTROMETRY CAPABILITIES FOR NATIONAL NUCLEAR SECURITY ADMINISTRATION APPLICATIONS

    SciTech Connect (OSTI)

    Wyrick, S.; Cordaro, J.; Reeves, G.; Mcintosh, J.; Mauldin, C.; Tietze, K.; Varble, D.

    2011-06-06T23:59:59.000Z

    The Department of Energy (DOE) National Nuclear Security Administration (NNSA) has a specialized need for analyzing low mass gas species at very high resolutions. The currently preferred analytical method is electromagnetic sector mass spectrometry. This method allows the NNSA Nuclear Security Enterprise (NSE) to resolve species of similar masses down to acceptable minimum detection limits (MDLs). Some examples of these similar masses are helium-4/deuterium and carbon monoxide/nitrogen. Through the 1980s and 1990s, there were two vendors who supplied and supported these instruments. However, with declining procurements and down turns in the economy, the supply of instruments, service and spare parts from these vendors has become less available, and in some cases, nonexistent. The largest NSE user of this capability is the Savannah River Site (SRS), located near Aiken, South Carolina. The Research and Development Engineering (R&DE) Group in the Savannah River National Laboratory (SRNL) investigated the areas of instrument support that were needed to extend the life cycle of these aging instruments. Their conclusions, as to the focus areas of electromagnetic sector mass spectrometers to address, in order of priority, were electronics, software and hardware. Over the past 3-5 years, the R&DE Group has designed state of the art electronics and software that will allow high resolution legacy mass spectrometers, critical to the NNSA mission, to be operated for the foreseeable future. The funding support for this effort has been from several sources, including the SRS Defense Programs, NNSA Readiness Campaign, Pantex Plant and Sandia National Laboratory. To date, electronics systems have been upgraded on one development system at SRNL, two production systems at Pantex and one production system at Sandia National Laboratory. An NSE working group meets periodically to review strategies going forward. The R&DE Group has also applied their work to the electronics for a Thermal Ionization Mass Spectrometer (TIMS) instrument, which applies a similar mass spectrometric technology for resolving high mass isotopes, such as plutonium and uranium. Due to non-compete clauses for DOE, all work has been performed and applied to instruments which are obsolete and are no longer supported by the original vendor.

  19. Heating and Ionization of the Primordial Intergalactic Medium by High Mass X-ray Binaries

    E-Print Network [OSTI]

    Knevitt, Gillian; Power, Chris; Bolton, James

    2014-01-01T23:59:59.000Z

    We investigate the influence of High Mass X-ray Binaries on their high redshift environments. Using a one-dimensional radiative transfer code, we predict the ionization and temperature profiles surrounding a coeval stellar population, composed of main sequence stars and HMXBs, at various times after its formation. We consider both uniform density surroundings, and a cluster embedded in a 10^8 solar mass NFW halo. HMXBs in a constant density environment produce negligible enhanced ionization because of their high-energy SEDs and short lifetimes. In this case, HMXBs only marginally contribute to the local heating rate. For NFW profiles, radiation from main sequence stars cannot prevent the initially ionized volume from recombining since it is unable to penetrate the high density galactic core. However, HMXB photons stall recombinations behind the front, keeping it partially ionized for longer. The increased electron density in these partially ionized regions promotes further cooling, resulting in lower IGM temp...

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

    SciTech Connect (OSTI)

    Loh, N. Duane

    2012-06-20T23:59:59.000Z

    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.

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

    E-Print Network [OSTI]

    Esswein, Stefan Theo

    2010-01-01T23:59:59.000Z

    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. ...

  2. 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.

  3. 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 ...

  4. Measuring Deuterium Enrichment of Glucose Hydrogen Atoms by Gas Chromatography/Mass Spectrometry

    E-Print Network [OSTI]

    Antoniewicz, Maciek R.

    We developed a simple and accurate method for determining deuterium enrichment of glucose hydrogen atoms by electron impact gas chromatography mass spectrometry (GC/MS). First, we prepared 18 derivatives of glucose and ...

  5. Proteomic analysis of E. coli using 2D HPLC and MALDI-TOF mass spectrometry

    E-Print Network [OSTI]

    Campbell, Christopher S

    2013-02-22T23:59:59.000Z

    In partial fulfillment of the requirements of the UNIVERSITY UNDERGRADUATE RESEARCH FELLOWS April 2002 Group: Life Sciences I PROTEOMIC ANALYSIS OF E. COLI USING 2D HPLC AND MALDI-TOF MASS SPECTROMETRY A Senior Thesis By CHRISTOPHER S. CAMPBELL... April 2002 Group: Life Sciences I ABSTRACT Proteomic Analysis of E. coli Using 2D HPLC and MALDI-TOF Mass Spectrometry. Christopher S. Campbell Department of Biochemisty/Biophysics Texac AkM University Fellows Advisor; Dr. James C. Hu Department...

  6. Electron Flood Charge Compensation Device for Ion Trap Secondary Ion Mass Spectrometry

    SciTech Connect (OSTI)

    Appelhans, Anthony David; Ward, Michael Blair; Olson, John Eric

    2002-11-01T23:59:59.000Z

    During secondary ion mass spectrometry (SIMS) analyses of organophosphorous compounds adsorbed onto soils, the measured anion signals were lower than expected and it was hypothesized that the low signals could be due to sample charging. An electron flood gun was designed, constructed and used to investigate sample charging of these and other sample types. The flood gun was integrated into one end cap of an ion trap secondary ion mass spectrometer and the design maintained the geometry of the self-stabilizing extraction optics used in this instrument. The SIMION ion optics program was used to design the flood gun, and experimental results agreed with the predicted performance. Results showed the low anion signals from the soils were not due to sample charging. Other insulating and conducting samples were tested using both a ReO4- and a Cs+ primary ion beam. The proximity of the sample and electron source to the ion trap aperture resulted in generation of background ions in the ion trap via electron impact (EI) ionization during the period the electron gun was flooding the sample region. When using the electron gun with the ReO4- primary beam, the required electron current was low enough that the EI background was negligible; however, the high electron flood current required with the Cs+ beam produced background EI ions that degraded the quality of the mass spectra. The consequences of the EI produced cations will have to be evaluated on a sample-by-sample basis when using electron flood. It was shown that the electron flood gun could be intentionally operated to produce EI spectra in this instrument. This offers the opportunity to measure, nearly simultaneously, species evaporating from a sample, via EI, and species bound to the surface, via SIMS.

  7. SwePep, a Database Designed for Endogenous Peptides and Mass Spectrometry*

    E-Print Network [OSTI]

    Chait, Brian T.

    SwePep, a Database Designed for Endogenous Peptides and Mass Spectrometry* Maria Fa¨ lth§, Karl Sko¨ ld§, Mathias Norrman, Marcus Svensson§, David Fenyo¨ , and Per E. Andren§** A new database, Swe the experimental peptide masses are compared with the peptide masses stored in the database both with and without

  8. Matrix effects in inductively coupled plasma mass spectrometry

    SciTech Connect (OSTI)

    Chen, Xiaoshan

    1995-07-07T23:59:59.000Z

    The inductively coupled plasma is an electrodeless discharge in a gas (usually Ar) at atmospheric pressure. Radio frequency energy generated by a RF power source is inductively coupled to the plasma gas through a water cooled load coil. In ICP-MS the {open_quotes}Fassel{close_quotes} TAX quartz torch commonly used in emission is mounted horizontally. The sample aerosol is introduced into the central flow, where the gas kinetic temperature is about 5000 K. The aerosol is vaporized, atomized, excited and ionized in the plasma, and the ions are subsequently extracted through two metal apertures (sampler and skimmer) into the mass spectrometer. In ICP-MS, the matrix effects, or non-spectroscopic interferences, can be defined as the type of interferences caused by dissolved concomitant salt ions in the solution. Matrix effects can be divided into two categories: (1) signal drift due to the deposition of solids on the sampling apertures; and/or (2) signal suppression or enhancement by the presence of the dissolved salts. The first category is now reasonably understood. The dissolved salts, especially refractory oxides, tend to deposit on the cool tip of the sampling cone. The clogging of the orifices reduces the ion flow into the ICP-MS, lowers the pressure in the first stage of ICP-MS, and enhances the level of metal oxide ions. Because the extent of the clogging increases with the time, the signal drifts down. Even at the very early stage of the development of ICP-MS, matrix effects had been observed. Houk et al. found out that the ICP-MS was not tolerant to solutions containing significant amounts of dissolved solids.

  9. 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.

    2010-06-23T23:59:59.000Z

    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.

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

    E-Print Network [OSTI]

    Suen, Timothy Wu

    2012-01-01T23:59:59.000Z

    Gamma Ray Spectrometry . . . . . . . . . . . . . . . . . . .29, 30] Gamma Ray Spectrometry Gamma ray spectrometry willare measured by gamma spectrometry and compared to model

  11. advanced thin ionization: Topics by E-print Network

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

    spread f... Bloser, P F 2004-01-01 39 Applications of Chemometric Algorithms to Ion Mobility Spectrometry and Matrix Assisted Laser DesorptionIonization Time-of-Flight Mass...

  12. International Journal of Mass Spectrometry 219 (2002) 7377 Protein charge transport in gas phase

    E-Print Network [OSTI]

    Sheu, Sheh-Yi

    temperature limit, the rotational energy can be transferred with very high efficiency and hence one obtainsInternational Journal of Mass Spectrometry 219 (2002) 73­77 Protein charge transport in gas phase high charge transport efficiency. (Int J Mass Spectrom 219 (2002) 73­77) © 2002 Elsevier Science B

  13. B American Society for Mass Spectrometry, 2012 DOI: 10.1007/s13361-012-0404-0

    E-Print Network [OSTI]

    Komives, Elizabeth A.

    pI, mobile phase pH) [12], ion suppression of co-eluting analytes [13], and mobile phase flow rateB American Society for Mass Spectrometry, 2012 DOI: 10.1007/s13361-012-0404-0 J. Am. Soc. Mass Improves Peptide Identification by Tandem Mass Spectrometry Jesse G. Meyer, Elizabeth A. Komives Department

  14. In situ UPb dating of micro-baddeleyite by secondary ion mass spectrometry Axel K. Schmitt a,

    E-Print Network [OSTI]

    In situ U­Pb dating of micro-baddeleyite by secondary ion mass spectrometry Axel K. Schmitt a secondary ion mass spectrometry (SIMS) in situ analysis of ng-mass crystals that cannot be efficiently conventional mineral separation methods are not optimized for recovery of such small grains, techniques

  15. Formation of iron complexs from trifluoroacetic acid based liquid chromatography mobile phases as interference ions in liquid chromatography/electrospray ionization mass spectrometric analysis

    SciTech Connect (OSTI)

    Shukla, Anil K.; Zhang, Rui; Orton, Daniel J.; Zhao, Rui; Clauss, Therese RW; Moore, Ronald J.; Smith, Richard D.

    2011-05-30T23:59:59.000Z

    Two unexpected singly charged ions at m/z 1103 and 944 have been observed in mass spectra obtained from electrospray ionization-mass spectrometric analysis of liquid chromatography effluents with mobile phases containing trifluoroacetic acid. Accurate mass measurement and tandem mass spectrometry studies revealed that these two ions are not due to any contamination from solvents and chemicals used for mobile and stationary phases or from the laboratory atmospheric environment. Instead these ions are clusters of trifluoroacetic acid formed in association with acetonitrile, water and iron from the stainless steel union used to connect the column with the electrospray tip and to apply high voltage; the molecular formulae are Fe+((OH)(H2O)2)9(CF3COOH)5 and Fe+((OH)(H2O)2)6 (CF3COOH)5.

  16. Identification of serum biomarkers for occupational medicamentosa-like dermatitis induced by trichloroethylene using mass spectrometry

    SciTech Connect (OSTI)

    Hong, Wen-Xu; Liu, Wei [Key Laboratory of Modern Toxicology of Shenzhen, Medical Key Laboratory of Guangdong Province, Medical Key Laboratory of Health Toxicology of Shenzhen, Shenzhen Center for Disease Control and Prevention, Shenzhen 518055 (China); Zhang, Yanfang [Shenzhen Prevention and Treatment Center for Occupational Disease, Shenzhen 518001 (China); Huang, Peiwu; Yang, Xifei; Ren, Xiaohu; Ye, Jinbo; Huang, Haiyan [Key Laboratory of Modern Toxicology of Shenzhen, Medical Key Laboratory of Guangdong Province, Medical Key Laboratory of Health Toxicology of Shenzhen, Shenzhen Center for Disease Control and Prevention, Shenzhen 518055 (China); Tang, Haiyan [Shenzhen Prevention and Treatment Center for Occupational Disease, Shenzhen 518001 (China); Zhou, Guifeng [Medical School of Hunan Normal University, Changsha 410006 (China); Huang, Xinfeng; Zhuang, Zhixiong [Key Laboratory of Modern Toxicology of Shenzhen, Medical Key Laboratory of Guangdong Province, Medical Key Laboratory of Health Toxicology of Shenzhen, Shenzhen Center for Disease Control and Prevention, Shenzhen 518055 (China); Liu, Jianjun, E-mail: bio-research@hotmail.com [Key Laboratory of Modern Toxicology of Shenzhen, Medical Key Laboratory of Guangdong Province, Medical Key Laboratory of Health Toxicology of Shenzhen, Shenzhen Center for Disease Control and Prevention, Shenzhen 518055 (China)

    2013-11-15T23:59:59.000Z

    Occupational medicamentosa-like dermatitis induced by trichloroethylene (OMLDT) is an autoimmune disease and it has become a serious occupational health hazard. In the present study, we collected fasting blood samples from patients with OMLDT (n = 18) and healthy volunteers (n = 33) to explore serum peptidome patterns. Peptides in sera were purified using weak cation exchange magnetic beads (MB-WCX), and analyzed by matrix-assisted laser desorption ionization time-of-flight-mass spectrometry (MALDI-TOF-MS) and ClinProTools bioinformatics software. The intensities of thirty protein/peptide peaks were significantly different between the healthy control and OMLDT patients. A pattern of three peaks (m/z 2106.3, 2134.5, and 3263.67) was selected for supervised neural network (SNN) model building to separate the OMLDT patients from the healthy controls with a sensitivity of 95.5% and a specificity of 73.8%. Furthermore, two peptide peaks of m/z 4091.61 and 4281.69 were identified as fragments of ATP-binding cassette transporter family A member 12 (ABCA12), and cationic trypsinogen (PRRS1), respectively. Our findings not only show that specific proteomic fingerprints in the sera of OMLDT patients can be served as a differentiated tool of OMLDT patients with high sensitivity and high specificity, but also reveal the novel correlation between OMLDT with ABC transports and PRRS1, which will be of potential value for clinical and mechanistic studies of OMLDT. - Highlights: • Identify 30 differential protein/peptide peaks between OMLDT and healthy control • The test sensitivity and test specificity were 95.5% and 73.8%, respectively. • ABCA12 and PRSS1 were identified as potential biomarkers in OMLDT patients.

  17. RAPID DETERMINATION OF ACTINIDES IN URINE BY INDUCTIVELY-COUPLED PLASMA MASS SPECTROMETRY AND ALPHA SPECTROMETRY: A HYBRID APPROACH

    SciTech Connect (OSTI)

    Maxwell, S.; Jones, V.

    2009-05-27T23:59:59.000Z

    A new rapid separation method that allows separation and preconcentration of actinides in urine samples was developed for the measurement of longer lived actinides by inductively coupled plasma mass spectrometry (ICP-MS) and short-lived actinides by alpha spectrometry; a hybrid approach. This method uses stacked extraction chromatography cartridges and vacuum box technology to facilitate rapid separations. Preconcentration, if required, is performed using a streamlined calcium phosphate precipitation. Similar technology has been applied to separate actinides prior to measurement by alpha spectrometry, but this new method has been developed with elution reagents now compatible with ICP-MS as well. Purified solutions are split between ICP-MS and alpha spectrometry so that long- and short-lived actinide isotopes can be measured successfully. The method allows for simultaneous extraction of 24 samples (including QC samples) in less than 3 h. Simultaneous sample preparation can offer significant time savings over sequential sample preparation. For example, sequential sample preparation of 24 samples taking just 15 min each requires 6 h to complete. The simplicity and speed of this new method makes it attractive for radiological emergency response. If preconcentration is applied, the method is applicable to larger sample aliquots for occupational exposures as well. The chemical recoveries are typically greater than 90%, in contrast to other reported methods using flow injection separation techniques for urine samples where plutonium yields were 70-80%. This method allows measurement of both long-lived and short-lived actinide isotopes. 239Pu, 242Pu, 237Np, 243Am, 234U, 235U and 238U were measured by ICP-MS, while 236Pu, 238Pu, 239Pu, 241Am, 243Am and 244Cm were measured by alpha spectrometry. The method can also be adapted so that the separation of uranium isotopes for assay is not required, if uranium assay by direct dilution of the urine sample is preferred instead. Multiple vacuum box locations may be set-up to supply several ICP-MS units with purified sample fractions such that a high sample throughput may be achieved, while still allowing for rapid measurement of short-lived actinides by alpha spectrometry.

  18. ARE MOLECULAR OUTFLOWS AROUND HIGH-MASS STARS DRIVEN BY IONIZATION FEEDBACK?

    SciTech Connect (OSTI)

    Peters, Thomas; Klessen, Ralf S. [Institut fuer Theoretische Astrophysik, Universitaet Heidelberg, Zentrum fuer Astronomie, Albert-Ueberle-Str. 2, D-69120 Heidelberg (Germany); Klaassen, Pamela D. [European Southern Observatory, Karl-Schwarzschild-Strasse 2, D-85748 Garching (Germany); Mac Low, Mordecai-Mark [Department of Astrophysics, American Museum of Natural History, 79th Street at Central Park West, New York, NY 10024-5192 (United States); Banerjee, Robi, E-mail: tpeters@physik.uzh.ch [Hamburger Sternwarte, Gojenbergsweg 112, D-21029 Hamburg (Germany)

    2012-11-20T23:59:59.000Z

    The formation of massive stars exceeding 10 M {sub Sun} usually results in large-scale molecular outflows. Numerical simulations, including ionization, of the formation of such stars show evidence for ionization-driven molecular outflows. Here we examine whether the outflows seen in these models reproduce the observations. We compute synthetic ALMA and CARMA maps of CO emission lines of the outflows, and compare their signatures to existing single-dish and interferometric data. We find that the ionization-driven models can only reproduce weak outflows around high-mass star-forming regions. We argue that expanding H II regions probably do not represent the dominant mechanism for driving observed outflows. We suggest instead that observed outflows are driven by the collective action of the outflows from the many lower-mass stars that inevitably form around young massive stars in a cluster.

  19. 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)

    2002-01-01T23:59:59.000Z

    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.

  20. 21 Tesla mass spectrometry magnet arrives at EMSL | EMSL

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

    and biological materials are one step closer to using EMSL's new 21 Tesla Fourier Transform Ion Cyclotron Resonance Mass Spectrometer. The magnet, a critical piece of...

  1. Targeted Tandem Mass Spectrometry for High-Throughput Comparative...

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

    states. Herein, we report on a targeted LC-MSMS capability realized with a 7 Tesla Fourier transform ion cyclotron resonance (FTICR) mass spectrometer equipped with a...

  2. Examination of the rate of peptide biosynthesis in neuroendocrine cell lines using a stable isotopic label and mass spectrometry

    E-Print Network [OSTI]

    Tian, Weidong

    isotopic label and mass spectrometry Fa-Yun Che,*,1 Quan Yuan,* ,1 Elena Kalinina* and Lloyd D. Fricker-Leu) and used mass spectrometry to measure the biosynthetic rate of c-lipotropin in the AtT-20 cell lines. Keywords: carboxypeptidase, gamma-lipotropin, insulin, prohormone convertase, proinsulin

  3. International Journal of Mass Spectrometry 316318 (2012) 259267 Contents lists available at SciVerse ScienceDirect

    E-Print Network [OSTI]

    Wysocki, Vicki H.

    2012-01-01T23:59:59.000Z

    International Journal of Mass Spectrometry 316­318 (2012) 259­267 Contents lists available at SciVerse ScienceDirect International Journal of Mass Spectrometry journal homepage: www.elsevier.com/locate/ijms Influence of a gamma amino acid on the structures and reactivity of peptide a3 ions Matthew C. Berniera

  4. 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

    2006-05-30T23:59:59.000Z

    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.

  5. Speeding up Scoring Module of Mass Spectrometry Based Protein Identification by GPU

    E-Print Network [OSTI]

    Chu, Xiaowen

    protein identification. It becomes very important to study how to speed up database search engines by GPUsSpeeding up Scoring Module of Mass Spectrometry Based Protein Identification by GPU You Li@comp.hkbu.edu.hk Abstract--Database searching is a main method for protein identification in shotgun proteomics, and many

  6. Two-Step Laser Mass Spectrometry of Asphaltenes Andrew E. Pomerantz,*,

    E-Print Network [OSTI]

    Zare, Richard N.

    that high pulse energy and sample concentration promote aggregation of asphaltenes in the plasma plumeTwo-Step Laser Mass Spectrometry of Asphaltenes Andrew E. Pomerantz,*, Matthew R. Hammond, Amy L- heptane, asphaltenes are a highly aromatic, polydisperse mixture consisting of the heaviest and most polar

  7. Surface Analysis by Highly Charged Ion Based Secondary Ion Mass Spectrometry

    E-Print Network [OSTI]

    Surface Analysis by Highly Charged Ion Based Secondary Ion Mass Spectrometry T. Schenkel,1 A high vacuum (10^8 torr). In posi- tive polarity, HCI can be decelerated to an impact energy of $1 ke in the interaction of slow (u highly charged ions (e.g., Au69+ ) with solid surfaces increases secondary

  8. ORGANIC MASS SPECTROMETRY, VOL. 21, 193-195 (1986) Energy Deposition in [Fe(CO),] ''Upon

    E-Print Network [OSTI]

    Wysocki, Vicki H.

    ORGANIC MASS SPECTROMETRY, VOL. 21, 193-195 (1986) Energy Deposition in [Fe(CO),] ''Upon Collision distributions associated with gas-phase collisional activation using both low and high ion kinetic energies, and the high internal energies accessible, make the ionlsurface collision process superior to gas

  9. Comparison of FTIR and Particle Mass Spectrometry for the Measurement...

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

    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...

  10. Development of Soft Ionization for Particulate Organic Detection with the Aerodyne Aerosol Mass Spectrometer

    SciTech Connect (OSTI)

    Trimborn, A; Williams, L R; Jayne, J T; Worsnop, D R

    2008-06-19T23:59:59.000Z

    During this DOE SBIR Phase II project, we have successfully developed several soft ionization techniques, i.e., ionization schemes which involve less fragmentation of the ions, for use with the Aerodyne time-of-flight aerosol mass spectrometer (ToF-AMS). Vacuum ultraviolet single photon ionization was demonstrated in the laboratory and deployed in field campaigns. Vacuum ultraviolet single photon ionization allows better identification of organic species in aerosol particles as shown in laboratory experiments on single component particles, and in field measurements on complex multi-component particles. Dissociative electron attachment with lower energy electrons (less than 30 eV) was demonstrated in the measurement of particulate organics in chamber experiments in Switzerland, and is now a routine approach with AMS systems configured for bipolar, negative ion detection. This technique is particularly powerful for detection of acidic and other highly oxygenated secondary organic aerosol (SOA) chemical functionality. Low energy electron ionization (10 to 12 eV) is also a softer ionization approach routinely available to AMS users. Finally, Lithium ion attachment has been shown to be sensitive to more alkyl-like chemical functionality in SOA. Results from Mexico City are particularly exciting in observing changes in SOA molecular composition under different photochemical/meteorological conditions. More recent results detecting biomass burns at the Montana fire lab have demonstrated quantitative and selective detection of levoglucosan. These soft ionization techniques provide the ToF-AMS with better capability for identifying organic species in ambient atmospheric aerosol particles. This, in turn, will allow more detailed study of the sources, transformations and fate of organic-containing aerosol.

  11. Mass spectrometry analysis of Arabidopsis histone H3 reveals distinct combinations of post-translational

    E-Print Network [OSTI]

    Jacobsen, Steve

    , Donald F. Hunt3 and Steven E. Jacobsen1, * Life Science Core Curriculum and 1 Molecular, Cell to electrospray ionization on a hybrid linear ion trap- Fourier transform mass spectrometer (LTQ/FTMS). We find and the histone octamer can be altered, influencing the sliding or movement of nucleosomes and thereby affecting

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

    E-Print Network [OSTI]

    Irungu, Janet W.

    2008-01-16T23:59:59.000Z

    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. Plasma desorption mass spectrometry of organics at low temperatures

    E-Print Network [OSTI]

    Shirey, Eldon Lynn

    1993-01-01T23:59:59.000Z

    , cyclohexane, cyclohexene, 1,3-cyclohexadiene, benzene, toluene, ortho- xylene, meta-xylene, and para-xylene. PDMS is best carried out on solids; accordingly, the samples were frozen. The experiments were run using a time-of-flight mass spectrometer with a 252...

  14. Ion source for high-precision mass spectrometry

    DOE Patents [OSTI]

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

    1982-04-26T23:59:59.000Z

    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.

  15. UV and IR laser ablation for inductively coupled plasma mass spectrometry

    SciTech Connect (OSTI)

    Smith, M.R.; Koppenaal, D.W.; Farmer, O.T.

    1993-06-01T23:59:59.000Z

    Laser ablation particle plume compositions are characterized using inductively coupled plasma mass spectrometry (ICP/MS). This study evaluates the mass response characteristics peculiar to ICP/MS detection as a function of laser fluence and frequency. Evaluation of the ICP/MS mass response allows deductions to be made concerning how representative the laser ablation produced particle plume composition is relative to the targeted sample. Using a black glass standard, elemental fractionation was observed, primarily for alkalis and other volatile elements. The extent of elemental fractionation between the target sample and the sampled plume varied significantly as a function of laser fluences and IR and UV laser frequency.

  16. Electron impact and chemical ionization mass spectral analysis of a volatile uranyl derivative

    SciTech Connect (OSTI)

    Reutter, D.J.; Hardy, D.R.

    1981-01-01T23:59:59.000Z

    Quadrupole mass spectral analysis of the volatile uranium ligand complex bis (1,1,1,5,5,5-hexafluoro-2,4-pentanedionato) dioxouranium-di-n-butyl sulfoxide is described utilizing electron impact (EI) and methane chemical ionization (CI) ion sources. All major ions are tentatively identified and the potential usefulness of this complex for determining uranium isotope /sup 235/U//sup 238/U abundance is demonstrated.

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

    DOE Patents [OSTI]

    Van Berkel, Gary J.

    2004-10-12T23:59:59.000Z

    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.

  18. Quantitative Analysis of Tetramethylenedisulfotetramine ("Tetramine") Spiked into Beverages by Liquid Chromatography Tandem Mass Spectrometry with Validation by Gas Chromatography Mass Spectrometry

    SciTech Connect (OSTI)

    Owens, J; Hok, S; Alcaraz, A; Koester, C

    2008-11-13T23:59:59.000Z

    Tetramethylenedisulfotetramine, commonly known as tetramine, is a highly neurotoxic rodenticide (human oral LD{sub 50} = 0.1 mg/kg) used in hundreds of deliberate food poisoning events in China. Here we describe a method for quantitation of tetramine spiked into beverages, including milk, juice, tea, cola, and water and cleaned up by C8 solid phase extraction and liquid-liquid extraction. Quantitation by high performance liquid chromatography tandem mass spectrometry (LC/MS/MS) was based upon fragmentation of m/z 347 to m/z 268. The method was validated by gas chromatography mass spectrometry (GC/MS) operated in SIM mode for ions m/z 212, 240, and 360. The limit of quantitation was 0.10 {micro}g/mL by LC/MS/MS versus 0.15 {micro}g/mL for GC/MS. Fortifications of the beverages at 2.5 {micro}g/mL and 0.25 {micro}g/mL were recovered ranging from 73-128% by liquid-liquid extraction for GC/MS analysis, 13-96% by SPE and 10-101% by liquid-liquid extraction for LC/MS/MS analysis.

  19. Double-gated isolated vertically aligned carbon nanofiber field emission and field ionization arrays

    E-Print Network [OSTI]

    Chen, Liang-Yu, 1979-

    2007-01-01T23:59:59.000Z

    Electron impact ionization (ElI) is used extensively in mass spectrometry for gas-phase analytes. Due to the significant amount of fragmentation generated by ElI, the spectrum is usually very noisy. In addition, the ...

  20. 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/

  1. Imaging with Mass Spectrometry: A SIMS and VUV-Photoionization Study of Ion-Sputtered Atoms and Clusters from GaAs and Au

    SciTech Connect (OSTI)

    Takahashi, Lynelle; Zhou, Jia; Wilson, Kevin R.; Leone, Stephen R.; Ahmed, Musahid

    2008-12-05T23:59:59.000Z

    A new mass spectrometry surface imaging method is presented in which ion-sputtered neutrals are postionized by wavelength-tunable vacuum ultraviolet (VUV) light from a synchrotron source. Mass spectra and signal counts of the photoionized neutrals from GaAs (100) and Au are compared to those of the secondary ions. While clusters larger than dimers are more efficiently detected as secondary ions, certain species, such as As2, Au and Au2, are more efficiently detected through the neutral channel. Continuously tuning the photon wavelength allows photoionization efficiency (PIE) curves to be obtained for sputtered Asm (m=1,2) and Aun (n=1-4). From the observed ionization thresholds, sputtered neutral As and Au show no clear evidence of electronic excitation, while neutral clusters have photoionization onsets shifted to lower energies by ~;;0.3 eV. These shifts are attributed to unresolved vibrational and rotational excitations. High-spatial resolution chemical imaging with synchrotron VUV postionization is demonstrated at two different photon energies using a copper TEM grid embedded in indium. The resulting images are used to illustrate the use of tunable VUV light for verifying mass peak assignments by exploiting the unique wavelength-dependent PIE of each sputtered neutral species. This capability is valuable for identifying compounds when imaging chemically complex systems with mass spectrometry-based techniques.

  2. Analysis of a Fossil Bone from the Archaeological Settlement Malu Rosu, Romania by Accelerator Mass Spectrometry

    E-Print Network [OSTI]

    Agata Olariu; Ion V. Popescu; Ragnar Hellborg; Kristina Stenström; Mikko Faarinen; Per Persson; Bengt Erlandsson; Göran Skog; Emilian Alexandrescu

    2001-03-13T23:59:59.000Z

    A fossil bone from the archaeological site Malu Rosu Giurgiu, in Romania has been analyzed by accelerator mass spectrometry to estimate its age by determining its $^{14}$C content. The radiocarbon age of the bone is in agreement with the date obtained by the method for age determination, based on fluorine content. This is the first radiocarbon dating for the final Neolithic period, for this archaeological settlement in the Romanian region.

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

    E-Print Network [OSTI]

    Li, Zhen

    2008-10-10T23:59:59.000Z

    .................................... 84 1 CHAPTER I INTRODUCTION Secondary ion mass spectrometry (SIMS) is well recognized a sensitive surface analysis method [1]. It utilizes energetic charged particles (primary ions) to probe surfaces. Impacts from the high energy, high... surprisingly, the most efficient projectiles for this purpose are those depositing a high density of energy. Desorption with keV and MeV Projectiles SIMS operates in two different modes: dynamic SIMS and static SIMS. The major difference between these modes...

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

    E-Print Network [OSTI]

    Hilscher, Larry Wayne

    1985-01-01T23:59:59.000Z

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

    E-Print Network [OSTI]

    Hilscher, Larry Wayne

    1985-01-01T23:59:59.000Z

    A Synthetas e Positional Isotope Exchange with Argininosuccinate Synthetas e Fast Atom Bombardment Mass Spectrometry 31 P Nuclear Magnetic Resonance RESULTS Page 16 17 19 20 21 21 22 23 Positional Isotope Exchange with Acetyl CoA Synthetase... Positional Isotope Exchange with Argininosuccinate Synth etas e DISCUSSICN 23 27 30 Positional Isotope Exchange with Acetyl CoA Synthetase . Pcsitional Isotope Exchange with Argininosuccinate Synthetase RFZERENCES 30 VITA LIST OF SCHEMES Page...

  6. 2?52Cf plasma desorption mass spectrometry of metal clusters

    E-Print Network [OSTI]

    Hughes, Janita Muriel

    1991-01-01T23:59:59.000Z

    crystals. Some of these compounds have been investigated by 'Cf Plasma Desorption Mass Spectrometry (PDMS), which has in many cases provided the first direct confirmation of the proposed structure. Analysis of large platinum carbonyl anions has yielded..., 000. In the field of gold cluster chemistry, the Cf-PDMS spectra has demonstrated that the synthetic pmcesses involved in forming Au?results in the mixture of large clusters rather than a monodisperse sample. These results have provided interesting...

  7. Comparison of Solution-Based versus Laser Ablation Inductively Coupled Plasma Mass Spectrometry for Analysis of Larval Fish

    E-Print Network [OSTI]

    Comparison of Solution-Based versus Laser Ablation Inductively Coupled Plasma Mass Spectrometry otoliths of larvae. Herein, we evaluate the abilities of solution-based (SO) and laser ablation (LA

  8. 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

    2009-05-15T23:59:59.000Z

    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) was a project within...

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

    E-Print Network [OSTI]

    Tuvilla, Mavreen Rose

    2013-05-08T23:59:59.000Z

    but reports only an average of conformation and the technique severely suffers from spectral overlapping due to the thousands of resonances of the protein. More recently, mass spectrometry has been employed not only to elucidate primary structures but also...

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

    E-Print Network [OSTI]

    Balderas, Sara

    2005-11-01T23:59:59.000Z

    Surfaces can be probed with a variant of secondary ion mass spectrometry (SIMS) where the bombardment is with a sequence of single keV projectiles, each resolved in time and space, coupled with the separate record of the ...

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

    E-Print Network [OSTI]

    Wang, Xuan

    2012-07-16T23:59:59.000Z

    . This research is supported by the. This work 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...-MS Liquid chromatographyCMass 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...

  12. Time-of-flight secondary ion mass spectrometry with transmission of energetic primary cluster ions through foil targets

    SciTech Connect (OSTI)

    Hirata, K., E-mail: k.hirata@aist.go.jp [National Metrology Institute of Japan, National Institute of Advanced Industrial Science and Technology (AIST), 1-1-1 Higashi, Tsukuba, Ibaraki 305-8565 (Japan); Saitoh, Y.; Chiba, A.; Yamada, K.; Matoba, S.; Narumi, K. [Takasaki Advanced Radiation Research Institute (TARRI), Japan Atomic Energy Agency (JAEA), Takasaki, Gumma 370-1292 (Japan)] [Takasaki Advanced Radiation Research Institute (TARRI), Japan Atomic Energy Agency (JAEA), Takasaki, Gumma 370-1292 (Japan)

    2014-03-15T23:59:59.000Z

    We developed time-of-flight (TOF) secondary ion (SI) mass spectrometry that provides informative SI ion mass spectra without needing a sophisticated ion beam pulsing system. In the newly developed spectrometry, energetic large cluster ions with energies of the order of sub MeV or greater are used as primary ions. Because their impacts on the target surface produce high yields of SIs, the resulting SI mass spectra are informative. In addition, the start signals necessary for timing information on primary ion incidence are provided by the detection signals of particles emitted from the rear surface of foil targets upon transmission of the primary ions. This configuration allows us to obtain positive and negative TOF SI mass spectra without pulsing system, which requires precise control of the primary ions to give the spectra with good mass resolution. We also successfully applied the TOF SI mass spectrometry with energetic cluster ion impacts to the chemical structure characterization of organic thin film targets.

  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

    2014-10-01T23:59:59.000Z

    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. Characterization of coal-derived liquids and other fossil-fuel-related materials employing mass spectrometry. Final report, September 30, 1976-September 29, 1980

    SciTech Connect (OSTI)

    Scheppele, S E

    1982-05-01T23:59:59.000Z

    A document was prepared which assessed the state-of-the art in the mass spectrometric characterization of fossil fuel materials and the relevance of these data to the fossil fuel industry. A Kratos DS50 SM data system was successfully interfaced to a CEC 21-110B mass spectrometer. Communications between the NOVA 3/12 computer in the data system and the OSU central computer were established. A Grant Comparator/Microdensitometer was acquired and made operational. Plans were developed and hardware acquired for interfacing the densitometer to the NOVA 3/12 computer. A quartz direct introduction probe was acquired for the CEC 21-110B. A temperature controller for the probe was acquired and interfaced to the slow speed ADC on the auxillary board in the data system/mass spectrometer interface. The combined FI/EI source was modified to operate in the FD mode and an apparatus was fabricated for conditioning FD emitters. A CSI supergrater 3 was interfaced to the PE 3920 gas chromatograph. The upgraded facility was used to develop mass spectrometric methods for the characterization of fossil fuel materials and to apply methods to the characterization of these materials. Activities included: (1) initial development of field-ionization mass spectrometry for the characterization of saturated hydrocarbons, (2) computerization of the technique of probe microdistillation/mass spectrometry, (3) initation of the development of a new method for the computer assisted assignment of formulas to ion masses, (4) characterization of neutral fractions from a hydrotreated tar-sands oil, and (5) characterization of coal-derived oils and asphaltenes.

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

    E-Print Network [OSTI]

    Isselhardt, Brett Hallen

    2011-01-01T23:59:59.000Z

    Isotope Ratios from U 3 O 8 Standards of Varying Enrichmentprobability. Enrichment of the odd isotope compared to 238 Ufrom an enrichment of the lighter isotope of almost 40 %

  16. 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

    2010-02-05T23:59:59.000Z

    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.

  17. Multielement ultratrace analysis of molybdenum with high performance secondary ion mass spectrometry

    SciTech Connect (OSTI)

    Virag, A.; Friedbacher, G.; Grasserbauer, M.; Ortner, H.M.; Wilhartitz, P.

    1988-07-01T23:59:59.000Z

    Electron beam melting has been used to obtain ultrapure refractory metals that are gaining importance in metal oxide semiconductor--very large scale integration (MOS--VLSI) processing technology, fusion reactor technology, or as superconducting materials. Although the technology of electron beam melting is well established in the field of production of very clean refractory metals, little is known about the limitations of the method because the impurity level of the final products is frequently below the detection power of common methods for trace analysis. Characterization of these materials can be accomplished primarily by in situ methods like neutron activation analysis and mass spectrometric methods (glow discharge mass spectrometry (GDMS), secondary ion mass spectrometry (SIMS)). A suitable method for quantitative multielement ultratrace bulk analysis of molybdenum with SIMS has been developed. Detection limits of the analyzed elements from 10/sup -7/ g/g down to 10/sup -12/ g/g have been found. Additional information about the distribution of the trace elements has been accumulated.

  18. 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

    2012-10-18T23:59:59.000Z

    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...

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

    E-Print Network [OSTI]

    Zhang, Ying

    2008-02-25T23:59:59.000Z

    in the instruments used in my research. I would also like to thank Dr. Barton F. Haynes, Dr. Hua-Xin Liao, and Laura L. Sutherland at Duke Human Vaccine Research Institute (Duke University, Durham, NC) for supplying HIV Env proteins for my research. I warmly thank...…………………………………………………………………………...115 V. Determination of disulfide bond arrangement of HIV Env protein CON-S gp140 ?CFI by LC/ESI-FTICR mass spectrometry. 5.1. Introduction…………………………………………………………………………120 5.2. Experimental section……………………………………………………………...124 5.3. Results...

  20. 230Th-234U Age-Dating Uranium by Mass Spectrometry

    SciTech Connect (OSTI)

    Williams, R W; Gaffney, A M

    2012-04-18T23:59:59.000Z

    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'.

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

    E-Print Network [OSTI]

    Lucas, Jessica Elaine

    2004-09-30T23:59:59.000Z

    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 ...

  2. Extreme ultraviolet ionization of pure He nanodroplets: Mass-correlated photoelectron imaging, Penning ionization, and electron energy-loss spectra

    SciTech Connect (OSTI)

    Buchta, D.; Stienkemeier, F.; Mudrich, M. [Physikalisches Institut, Universität Freiburg, 79104 Freiburg (Germany)] [Physikalisches Institut, Universität Freiburg, 79104 Freiburg (Germany); Krishnan, S. R.; Moshammer, R. [Max-Planck-Institut für Kernphysik, 69117 Heidelberg (Germany)] [Max-Planck-Institut für Kernphysik, 69117 Heidelberg (Germany); Brauer, N. B.; Drabbels, M. [Laboratoire de Chimie Physique Moléculaire, Swiss Federal Institute of Technology Lausanne (EPFL), 1015 Lausanne (Switzerland)] [Laboratoire de Chimie Physique Moléculaire, Swiss Federal Institute of Technology Lausanne (EPFL), 1015 Lausanne (Switzerland); O’Keeffe, P.; Coreno, M. [CNR Istituto di Metodologie Inorganiche e dei Plasmi, CP10, 00016 Monterotondo Scalo (Italy)] [CNR Istituto di Metodologie Inorganiche e dei Plasmi, CP10, 00016 Monterotondo Scalo (Italy); Devetta, M. [CIMAINA and Dipartimento di Fisica, Università di Milano, 20133 Milano (Italy)] [CIMAINA and Dipartimento di Fisica, Università di Milano, 20133 Milano (Italy); Di Fraia, M. [Department of Physics, University of Trieste, 34128 Trieste (Italy)] [Department of Physics, University of Trieste, 34128 Trieste (Italy); Callegari, C.; Richter, R.; Prince, K. C. [Elettra-Sincrotrone Trieste, 34149 Basovizza, Trieste (Italy)] [Elettra-Sincrotrone Trieste, 34149 Basovizza, Trieste (Italy); Ullrich, J. [Max-Planck-Institut für Kernphysik, 69117 Heidelberg (Germany) [Max-Planck-Institut für Kernphysik, 69117 Heidelberg (Germany); Physikalisch-Technische Bundesanstalt (PTB), Bundesallee 100, D-38116 Braunschweig (Germany)

    2013-08-28T23:59:59.000Z

    The ionization dynamics of pure He nanodroplets irradiated by Extreme ultraviolet radiation is studied using Velocity-Map Imaging PhotoElectron-PhotoIon COincidence spectroscopy. We present photoelectron energy spectra and angular distributions measured in coincidence with the most abundant ions He{sup +}, He{sub 2}{sup +}, and He{sub 3}{sup +}. Surprisingly, below the autoionization threshold of He droplets, we find indications for multiple excitation and subsequent ionization of the droplets by a Penning-like process. At high photon energies we observe inelastic collisions of photoelectrons with the surrounding He atoms in the droplets.

  3. 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.

    2010-10-12T23:59:59.000Z

    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. ...

  4. RAPID COMMUNICATIONS IN MASS SPECTROMETRY, VOL. 7, 693-699 (1993) Collisions of C&*and Cii at Fluorinated and

    E-Print Network [OSTI]

    Wysocki, Vicki H.

    energy is relatively high, typically 12-15% for small molecules.' Thus, if the efficiency of energy & Sons, Ltd. (e.g. masses areater than 200u) strike surfaces." The high relative energy transferRAPID COMMUNICATIONS IN MASS SPECTROMETRY, VOL. 7, 693-699 (1993) Collisions of C&*and Cii

  5. Novel Analytical Methods for Examining Biomolecular Complexes Using Electrospray Ionization Mass Spectrometry

    E-Print Network [OSTI]

    Flick, Tawnya Grace

    2012-01-01T23:59:59.000Z

    in solvation energies of the trivalent, ?H solv (3+), anddivalent metal ion, ?H solv (2+), that correspond to theH red ? ? ? H (III) ? ? H solv (3 ? ) ? ? H solv (2 ? ) The

  6. Developments and Applications of Electrophoresis and Small Molecule Laser Desorption Ionization Mass Spectrometry

    SciTech Connect (OSTI)

    Hui Zhang

    2007-12-01T23:59:59.000Z

    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.

  7. 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.

    2009-09-01T23:59:59.000Z

    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

  8. 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

  9. 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)

    1999-01-01T23:59:59.000Z

    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%.

  10. Optimizing a microwave gas ion source for continuous-flow accelerator mass spectrometry

    SciTech Connect (OSTI)

    Reden, K. F. von; Roberts, M. L.; Burton, J. R.; Beaupre, S. R. [Geology and Geophysics Department, Woods Hole Oceanographic Institution (WHOI), Woods Hole, Massachusetts 02543 (United States)

    2012-02-15T23:59:59.000Z

    A 2.45 GHz microwave ion source coupled with a magnesium charge exchange canal (C x C) has been successfully adapted to a large acceptance radiocarbon accelerator mass spectrometry system at the National Ocean Sciences Accelerator Mass Spectrometry (AMS) Facility, Woods Hole Oceanographic Institution. CO{sub 2} samples from various preparation sources are injected into the source through a glass capillary at 370 {mu}l/min. Routine system parameters are about 120-140 {mu}A of negative {sup 12}C current after the C x C, leading to about 400 {sup 14}C counts per second for a modern sample and implying a system efficiency of 0.2%. While these parameters already allow us to perform high-quality AMS analyses on large samples, we are working on ways to improve the output of the ion source regarding emittance and efficiency. Modeling calculations suggest modifications in the extraction triode geometry, shape, and size of the plasma chamber could improve emittance and, hence, ion transport efficiency. Results of experimental tests of these modifications are presented.

  11. Inductively coupled plasma mass spectrometry for stable isotope metabolic tracer studies of living systems

    SciTech Connect (OSTI)

    Luong, E.

    1999-05-10T23:59:59.000Z

    This dissertation focuses on the development of methods for stable isotope metabolic tracer studies in living systems using inductively coupled plasma single and dual quadrupole mass spectrometers. Sub-nanogram per gram levels of molybdenum (Mo) from human blood plasma are isolated by the use of anion exchange alumina microcolumns. Million-fold more concentrated spectral and matrix interferences such as sodium, chloride, sulfate, phosphate, etc. in the blood constituents are removed from the analyte. The recovery of Mo from the alumina column is 82 {+-} 5% (n = 5). Isotope dilution inductively coupled plasma mass spectrometry (ID-ICP-MS) is utilized for the quantitative ultra-trace concentration determination of Mo in bovine and human blood samples. The average Mo concentration in reference bovine serum determined by this method is 10.2 {+-} 0.4 ng/g, while the certified value is 11.5 {+-} 1.1 ng/g (95% confidence interval). The Mo concentration of one pool of human blood plasma from two healthy male donors is 0.5 {+-} 0.1 ng/g. The inductively coupled plasma twin quadrupole mass spectrometer (ICP-TQMS) is used to measure the carbon isotope ratio from non-volatile organic compounds and bio-organic molecules to assess the ability as an alternative analytical method to gas chromatography combustion isotope ratio mass spectrometry (GC-combustion-IRMS). Trytophan, myoglobin, and {beta}-cyclodextrin are chosen for the study, initial observation of spectral interference of {sup 13}C{sup +} with {sup 12}C{sup 1}H{sup +} comes from the incomplete dissociation of myoglobin and/or {beta}-cyclodextrin.

  12. One-Photon Mass-Analyzed Threshold Ionization Spectroscopy of Bis(6-benzene)chromium and Its Benzene and Ar Clusters

    E-Print Network [OSTI]

    Kim, Sang Kyu

    One-Photon Mass-Analyzed Threshold Ionization Spectroscopy of Bis(6-benzene)chromium and Its Benzene and Ar Clusters Kyo-Won Choi and Sang Kyu Kim* Department of Chemistry and School of Molecular-analyzed threshold ionization (MATI) spectroscopy of bis(6-benzene)chromium is reported. The adiabatic ionization

  13. Laser desorption/ionization from nanostructured surfaces: nanowires, nanoparticle films and silicon microcolumn arrays

    E-Print Network [OSTI]

    Vertes, Akos

    Laser desorption/ionization from nanostructured surfaces: nanowires, nanoparticle films and silicon for soft laser desorption/ionization (SLDI) mass spectrometry. Thin films of gold nanoparticles (with 12 to analyze a series of directly deposited polypeptide samples. In this new SLDI method, the required laser

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

    SciTech Connect (OSTI)

    Zerega, Y.; Reynard-Carette, C. [Univ. of Provence, Laboratoire Chimie Provence, UMR 6264, Avenue escadrille Normandie - Niemen, F-13397 Marseille (France); Parrat, D. [CEA, Nuclear Energy Div. DEN, CEA Cadarache, F-13108 Saint-Paul-lez-Durance (France); Carette, M. [Univ. of Provence, Laboratoire Chimie Provence, UMR 6264, Avenue escadrille Normandie - Niemen, F-13397 Marseille (France); Brkic, B. [Univ. of Liverpool, Dept. of Electrical Engineering and Electronics, Liverpool L69 3BX (United Kingdom); Lyoussi, A.; Bignan, G. [CEA, Nuclear Energy Div. DEN, CEA Cadarache, F-13108 Saint-Paul-lez-Durance (France); Janulyte, A.; Andre, J. [Univ. of Provence, Laboratoire Chimie Provence, UMR 6264, Avenue escadrille Normandie - Niemen, F-13397 Marseille (France); Pontillon, Y.; Ducros, G. [CEA, Nuclear Energy Div. DEN, CEA Cadarache, F-13108 Saint-Paul-lez-Durance (France); Taylor, S. [Univ. of Liverpool, Dept. of Electrical Engineering and Electronics, Liverpool L69 3BX (United Kingdom)

    2011-07-01T23:59:59.000Z

    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)

  15. A fast microchannel plate-scintillator detector for velocity map imaging and imaging mass spectrometry

    SciTech Connect (OSTI)

    Winter, B.; King, S. J.; Vallance, C., E-mail: claire.vallance@chem.ox.ac.uk [Department of Chemistry, Chemistry Research Laboratory, University of Oxford, 12 Mansfield Rd, Oxford OX1 3TA (United Kingdom); Brouard, M., E-mail: mark.brouard@chem.ox.ac.uk [Department of Chemistry, Physical and Theoretical Chemistry Laboratory, University of Oxford, South Parks Rd, Oxford OX1 3QZ (United Kingdom)

    2014-02-15T23:59:59.000Z

    The time resolution achievable using standard position-sensitive ion detectors, consisting of a chevron pair of microchannel plates coupled to a phosphor screen, is primarily limited by the emission lifetime of the phosphor, around 70 ns for the most commonly used P47 phosphor. We demonstrate that poly-para-phenylene laser dyes may be employed extremely effectively as scintillators, exhibiting higher brightness and much shorter decay lifetimes than P47. We provide an extensive characterisation of the properties of such scintillators, with a particular emphasis on applications in velocity-map imaging and microscope-mode imaging mass spectrometry. The most promising of the new scintillators exhibits an electron-to-photon conversion efficiency double that of P47, with an emission lifetime an order of magnitude shorter. The new scintillator screens are vacuum stable and show no signs of signal degradation even over longer periods of operation.

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

    SciTech Connect (OSTI)

    Nathan Joe Saetveit

    2008-08-18T23:59:59.000Z

    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.

  17. Vacuum ultraviolet mass-analyzed threshold ionization spectroscopy of benzene: Vibrational analysis of C6H6

    E-Print Network [OSTI]

    Kim, Myung Soo

    Vacuum ultraviolet mass-analyzed threshold ionization spectroscopy of benzene: Vibrational analysis-photon spectra agrees with the previous suggestion that the geometry of benzene cation in the ground electronic. INTRODUCTION Benzene cation has been the focus of an intensive re- search effort, both experimental1

  18. High Resolution Studies of the Origins of Polyatomic Ions in Inductively Coupled Plasma-Mass Spectrometry

    SciTech Connect (OSTI)

    Jill Wisnewski Ferguson

    2006-08-09T23:59:59.000Z

    The inductively coupled plasma (ICP) is an atmospheric pressure ionization source. Traditionally, the plasma is sampled via a sampler cone. A supersonic jet develops behind the sampler, and this region is pumped down to a pressure of approximately one Torr. A skimmer cone is located inside this zone of silence to transmit ions into the mass spectrometer. The position of the sampler and skimmer cones relative to the initial radiation and normal analytical zones of the plasma is key to optimizing the useful analytical signal [1]. The ICP both atomizes and ionizes the sample. Polyatomic ions form through ion-molecule interactions either in the ICP or during ion extraction [l]. Common polyatomic ions that inhibit analysis include metal oxides (MO{sup +}), adducts with argon, the gas most commonly used to make up the plasma, and hydride species. While high resolution devices can separate many analytes from common interferences, this is done at great cost in ion transmission efficiency--a loss of 99% when using high versus low resolution on the same instrument [2]. Simple quadrupole devices, which make up the bulk of ICP-MS instruments in existence, do not present this option. Therefore, if the source of polyatomic interferences can be determined and then manipulated, this could potentially improve the figures of merit on all ICP-MS devices, not just the high resolution devices often utilized to study polyatomic interferences.

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

    SciTech Connect (OSTI)

    Paardekooper, D. M., E-mail: dmpaardekooper@strw.leidenuniv.nl; Bossa, J.-B.; Isokoski, K.; Linnartz, H., E-mail: linnartz@strw.leidenuniv.nl [Raymond and Beverly Sackler Laboratory for Astrophysics, Leiden Observatory, Leiden University, PO Box 9513, 2300 RA Leiden (Netherlands)

    2014-10-15T23:59:59.000Z

    A new ultra-high vacuum experiment is described that allows studying photo-induced chemical processes in interstellar ice analogues. MATRI{sup 2}CES - 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{sub 4}) 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{sub 4} 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.

  20. Improved resolution of hydrocarbon structures and constitutional isomers in complex mixtures using Gas Chromatography-Vacuum Ultraviolet-Mass Spectrometry (GC-VUV-MS)

    SciTech Connect (OSTI)

    Aerosol Dynamics Inc; Aerodyne Research, Inc.,; Tofwerk AG, Thun; Isaacman, Gabriel; Wilson, Kevin R.; Chan, Arthur W. H.; Worton, David R.; Kimmel, Joel R.; Nah, Theodora; Hohaus, Thorsten; Gonin, Marc; Kroll, Jesse H.; Worsnop, Doug R.; Goldstein, Allen H.

    2011-09-13T23:59:59.000Z

    Understanding the composition of complex hydrocarbon mixtures is important for environmental studies in a variety of fields, but many prevalent compounds cannot be confidently identified using traditional gas chromatography-mass spectrometry (GC-MS) techniques. This work uses vacuum-ultraviolet (VUV) ionization to elucidate the structures of a traditionally"unresolved complex mixture" by separating components by GC retention time, tR, and mass-to-charge ratio, m/Q, which are used to determine carbon number, NC, and the number of rings and double bonds, NDBE. Constitutional isomers are resolved based on tR, enabling the most complete quantitative analysis to date of structural isomers in an environmentally-relevant hydrocarbon mixture. Unknown compounds are classified in this work by carbon number, degree of saturation, presence of rings, and degree of branching, providing structural constraints. The capabilities of this analysis are explored using diesel fuel, in which constitutional isomer distribution patterns are shown to be reproducible between carbon numbers and follow predictable rules. Nearly half of the aliphatic hydrocarbon mass is shown to be branched, suggesting branching is more important in diesel fuel than previously shown. The classification of unknown hydrocarbons and the resolution of constitutional isomers significantly improves resolution capabilities for any complex hydrocarbon mixture.

  1. 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.

    2014-08-25T23:59:59.000Z

    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.

  2. Application of laser ablation-ICP-mass spectrometry for 2-dimensional mapping of element distributions in a

    E-Print Network [OSTI]

    Claeys, Philippe

    Application of laser ablation-ICP-mass spectrometry for 2-dimensional mapping of element McDonald,d Scott W. Hassler,ce Philippe Claeysb and Frank Vanhaecke*a Laser ablation spherules, were acquired by LA-ICP-MS using two different ablation ­ standard (circular) and teardrop

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

    E-Print Network [OSTI]

    Balderas, Sara

    2005-11-01T23:59:59.000Z

    Surfaces can be probed with a variant of secondary ion mass spectrometry (SIMS) where the bombardment is with a sequence of single keV projectiles, each resolved in time and space, coupled with the separate record of the secondary ions (SIs) ejected...

  4. Assessment of Non-traditional Isotopic Ratios by Mass Spectrometry for Analysis of Nuclear Activities: Annual Report Year 2

    SciTech Connect (OSTI)

    Biegalski, S; Buchholz, B

    2009-08-26T23:59:59.000Z

    The objective of this work is to identify isotopic ratios suitable for analysis via mass spectrometry that distinguish between commercial nuclear reactor fuel cycles, fuel cycles for weapons grade plutonium, and products from nuclear weapons explosions. Methods will also be determined to distinguish the above from medical and industrial radionuclide sources. Mass spectrometry systems will be identified that are suitable for field measurement of such isotopes in an expedient manner. Significant progress has been made with this project within the past year: (1) Isotope production from commercial nuclear fuel cycles and nuclear weapons fuel cycles have been modeled with the ORIGEN and MCNPX codes. (2) MCNPX has been utilized to calculate isotopic inventories produced in a short burst fast bare sphere reactor (to approximate the signature of a nuclear weapon). (3) Isotopic ratios have been identified that are good for distinguishing between commercial and military fuel cycles as well as between nuclear weapons and commercial nuclear fuel cycles. (4) Mass spectrometry systems have been assessed for analysis of the fission products of interest. (5) A short-list of forensic ratios have been identified that are well suited for use in portable mass spectrometry systems.

  5. Facilities: NHMFL 14.5 Tesla Fourier Transform Ion Cyclotron Resonance Mass Spectrometer Citation: A Pseudoatomic Model of the COPII Cage Obtained from Cryo-Electron Microscopy and Mass Spectrometry,

    E-Print Network [OSTI]

    Weston, Ken

    Facilities: NHMFL 14.5 Tesla Fourier Transform Ion Cyclotron Resonance Mass Spectrometer Citation ultrahigh-resolution 14.5 tesla Fourier transform ion cyclotron resonance mass spectrometry. The Mag

  6. Accelerator Mass Spectrometry Measurements of Plutonium in Sediment and Seawater from the Marshall Islands

    SciTech Connect (OSTI)

    Leisvik, M; Hamilton, T

    2001-08-01T23:59:59.000Z

    During the summer 2000, I was given the opportunity to work for about three months as a technical trainee at Lawrence Livermore National Laboratory, or LLNL as I will refer to it hereafter. University of California runs this Department of Energy laboratory, which is located 70 km east of San Francisco, in the small city of Livermore. This master thesis in Radioecology is based on the work I did here. LLNL, as a second U.S.-facility for development of nuclear weapons, was built in Livermore in the beginning of the 1950's (Los Alamos in New Mexico was the other one). It has since then also become a 'science center' for a number of areas like magnetic and laser fusion energy, non-nuclear energy, biomedicine, and environmental science. The Laboratory's mission has changed over the years to meet new national needs. The following two statements were found on the homepage of LLNL (http://www.llnl.gov), at 2001-03-05, where also information about the laboratory and the scientific projects that takes place there, can be found. 'Our primary mission is to ensure that the nation's nuclear weapons remain safe, secure, and reliable and to prevent the spread and use of nuclear weapons worldwide'. 'Our goal is to apply the best science and technology to enhance the security and well-being of the nation and to make the world a safer place.' The Marshall Islands Dose Assessment and Radioecology group at the Health and Ecological Assessments division employed me, and I also worked to some extent with the Centre for Accelerator Mass Spectrometry (CAMS) group. The work I did at LLNL can be divided into two parts. In the first part Plutonium (Pu) measurements in sediments from the Rongelap atoll in Marshall Islands, using Accelerator Mass Spectrometry (AMS) were done. The method for measuring these kinds of samples is well understood at LLNL since soil samples have been measured with AMS for Pu in the past. Therefore it was the results that were of main interest and not the technique. The second part was to take advantage of AMS's very high sensitivity by measure the Pu-concentrations in small volumes (0.04-1 L) of seawater. The technique for using AMS at Pu-measurements in seawater is relatively new and the main task for me was to find out a method that could work in practice. The area where the sediment samples and the water samples were collected are high above background levels for many radionuclides, including Pu, because of the detonation of the nuclear bomb code-named Castle Bravo, in 1954.

  7. Multivariate analysis of progressive thermal desorption coupled gas chromatography-mass spectrometry.

    SciTech Connect (OSTI)

    Van Benthem, Mark Hilary; Mowry, Curtis Dale; Kotula, Paul Gabriel; Borek, Theodore Thaddeus, III

    2010-09-01T23:59:59.000Z

    Thermal decomposition of poly dimethyl siloxane compounds, Sylgard{reg_sign} 184 and 186, were examined using thermal desorption coupled gas chromatography-mass spectrometry (TD/GC-MS) and multivariate analysis. This work describes a method of producing multiway data using a stepped thermal desorption. The technique involves sequentially heating a sample of the material of interest with subsequent analysis in a commercial GC/MS system. The decomposition chromatograms were analyzed using multivariate analysis tools including principal component analysis (PCA), factor rotation employing the varimax criterion, and multivariate curve resolution. The results of the analysis show seven components related to offgassing of various fractions of siloxanes that vary as a function of temperature. Thermal desorption coupled with gas chromatography-mass spectrometry (TD/GC-MS) is a powerful analytical technique for analyzing chemical mixtures. It has great potential in numerous analytic areas including materials analysis, sports medicine, in the detection of designer drugs; and biological research for metabolomics. Data analysis is complicated, far from automated and can result in high false positive or false negative rates. We have demonstrated a step-wise TD/GC-MS technique that removes more volatile compounds from a sample before extracting the less volatile compounds. This creates an additional dimension of separation before the GC column, while simultaneously generating three-way data. Sandia's proven multivariate analysis methods, when applied to these data, have several advantages over current commercial options. It also has demonstrated potential for success in finding and enabling identification of trace compounds. Several challenges remain, however, including understanding the sources of noise in the data, outlier detection, improving the data pretreatment and analysis methods, developing a software tool for ease of use by the chemist, and demonstrating our belief that this multivariate analysis will enable superior differentiation capabilities. In addition, noise and system artifacts challenge the analysis of GC-MS data collected on lower cost equipment, ubiquitous in commercial laboratories. This research has the potential to affect many areas of analytical chemistry including materials analysis, medical testing, and environmental surveillance. It could also provide a method to measure adsorption parameters for chemical interactions on various surfaces by measuring desorption as a function of temperature for mixtures. We have presented results of a novel method for examining offgas products of a common PDMS material. Our method involves utilizing a stepped TD/GC-MS data acquisition scheme that may be almost totally automated, coupled with multivariate analysis schemes. This method of data generation and analysis can be applied to a number of materials aging and thermal degradation studies.

  8. Accelerated Analyte Uptake on Single Beads in Microliter-scale Batch Separations using Acoustic Streaming: Plutonium Uptake by Anion Exchange for Analysis by Mass Spectrometry

    SciTech Connect (OSTI)

    Paxton, Walter F.; O'Hara, Matthew J.; Peper, Shane M.; Petersen, Steven L.; Grate, Jay W.

    2008-06-01T23:59:59.000Z

    The use of acoustic streaming as a non-contact mixing platform to accelerate mass transport-limited diffusion processes in small volume heterogeneous reactions has been investigated. Single bead anion exchange of plutonium at nanomolar and sub-picomolar concentrations in 20 microliter liquid volumes was used to demonstrate the effect of acoustic mixing. Pu uptake rates on individual ~760 micrometer diameter AG 1x4 anion exchange resin beads were determined using acoustic mixing and compared with Pu uptake rates achieved by static diffusion alone. An 82 MHz surface acoustic wave (SAW) device was placed in contact with the underside of a 384-well microplate containing flat-bottomed semiconical wells. Acoustic energy was coupled into the solution in the well, inducing acoustic streaming. Pu uptake rates were determined by the plutonium remaining in solution after specific elapsed time intervals, using liquid scintillation counting (LSC) for nanomolar concentrations and thermal ionization mass spectrometry (TIMS) analysis for the sub-picomolar concentration experiments. It was found that this small batch uptake reaction could be accelerated by a factor of about five-fold or more, depending on the acoustic power applied.

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

    E-Print Network [OSTI]

    K. J. Dong

    2007-05-01T23:59:59.000Z

    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.

  10. Determination of the stellar (n,gamma) cross section of 40Ca with accelerator mass spectrometry

    E-Print Network [OSTI]

    Dillmann, I; Heil, M; Käppeler, F; Wallner, A; Forstner, O; Golser, R; Kutschera, W; Priller, A; Steier, P; Mengoni, A; Gallino, R; Paul, M; Vockenhuber, C; 10.1103/PhysRevC.79.065805

    2009-01-01T23:59:59.000Z

    The stellar (n,gamma) cross section of 40Ca at kT=25 keV has been measured with a combination of the activation technique and accelerator mass spectrometry (AMS). This combination is required when direct off-line counting of the produced activity is compromised by the long half-life and/or missing gamma-ray transitions. The neutron activations were performed at the Karlsruhe Van de Graaff accelerator using the quasistellar neutron spectrum of kT=25 keV produced by the 7Li(p,n)7Be reaction. The subsequent AMS measurements were carried out at the Vienna Environmental Research Accelerator (VERA) with a 3 MV tandem accelerator. The doubly magic 40Ca is a bottle-neck isotope in incomplete silicon burning, and its neutron capture cross section determines the amount of leakage, thus impacting on the eventual production of iron group elements. Because of its high abundance, 40Ca can also play a secondary role as "neutron poison" for the s-process. Previous determinations of this value at stellar energies were based o...

  11. Determination of the stellar (n,gamma) cross section of 40Ca with accelerator mass spectrometry

    E-Print Network [OSTI]

    I. Dillmann; C. Domingo-Pardo; M. Heil; F. Käppeler; A. Wallner; O. Forstner; R. Golser; W. Kutschera; A. Priller; P. Steier; A. Mengoni; R. Gallino; M. Paul; C. Vockenhuber

    2009-07-01T23:59:59.000Z

    The stellar (n,gamma) cross section of 40Ca at kT=25 keV has been measured with a combination of the activation technique and accelerator mass spectrometry (AMS). This combination is required when direct off-line counting of the produced activity is compromised by the long half-life and/or missing gamma-ray transitions. The neutron activations were performed at the Karlsruhe Van de Graaff accelerator using the quasistellar neutron spectrum of kT=25 keV produced by the 7Li(p,n)7Be reaction. The subsequent AMS measurements were carried out at the Vienna Environmental Research Accelerator (VERA) with a 3 MV tandem accelerator. The doubly magic 40Ca is a bottle-neck isotope in incomplete silicon burning, and its neutron capture cross section determines the amount of leakage, thus impacting on the eventual production of iron group elements. Because of its high abundance, 40Ca can also play a secondary role as "neutron poison" for the s-process. Previous determinations of this value at stellar energies were based on time-of-flight measurements. Our method uses an independent approach, and yields for the Maxwellian-averaged cross section at kT=30 keV a value of 30 keV= 5.73+/-0.34 mb.

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

    E-Print Network [OSTI]

    Dong, K J

    2007-01-01T23:59:59.000Z

    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 isoto...

  13. Arsenic speciation in soil using high performance liquid chromatography/inductively coupled plasma/mass spectrometry

    SciTech Connect (OSTI)

    Bass, D.A.; Yaeger, J.S.; Parish, K.J.; Crain, J.S.; Kiely, J.T.; Gowdy, M.J. [Argonne National Lab., IL (United States); Mohrman, G.B.; Besmer, M.G. [Rocky Mountain Arsenal, Commerce City, CO (United States)

    1996-08-01T23:59:59.000Z

    A method has been developed to identify and quantify As(III), As(V), and organoarsenic compounds in soil samples from the Rocky Mountain Arsenal (RMA) by high performance liquid chromatography/inductively coupled plasma/mass spectrometry (HPLC/ICP/MS). The soils were extracted using tetrabutylammonium hydroxide (TBAH) and sonication. The percentages of As(III), As(V), and organoarsenic species extracted from soil samples were 30, 50, and 100 respectively. The arsenic species were not altered during the extraction process. They were separated by reversed-phase, ion-pairing, HPLC using a microbore Inertsil-ODS{trademark} column. The HPLC column effluent was introduced into an ICP/MS system using a direct injection nebulizer (DIN). Detection limits of less than 1 pg were readily obtained for each arsenic species. Internal standards are recommended to increase accuracy and precision. Soil samples spiked with arsenic oxide, sodium arsenate, dimethylarsinic acid (DMAA), and chlorovinyl arsenious acid (CVAA) were extracted, identified and quantified with the HPLC/ICP/MS system. The soil samples were analyzed in support of the analytical needs of a thermal desorption treatability study being conducted at the RMA.

  14. Development and Application of an Electrospray Ionization Ion Mobility-mass Spectrometer Using an RF Ion Funnel and Periodic-focusing Ion Guide

    E-Print Network [OSTI]

    Jeon, Junho

    2013-10-16T23:59:59.000Z

    ion mobility-mass spectrometry (IM-MS). Through experimental measurements and ion trajectory calculations from well known model peptides and proteins having multiple charge states, a correlation factor ? which links the results from the two different...

  15. Atmospheric Amines and Ammonia Measured with a Chemical Ionization Mass Spectrometer (CIMS)

    SciTech Connect (OSTI)

    You, Y.; Kanawade, V. P.; de Gouw, J. A.; Guenther, Alex B.; Madronich, Sasha; Sierra-Hernandez, M. R.; Lawler, M.; Smith, James N.; Takahama, S.; Ruggeri, G.; Koss, A.; Olson, K.; Baumann, K.; Weber, R. J.; Nenes, A.; Guo, H.; Edgerton, Eric S.; Porcelli, L.; Brune, W. H.; Goldstein, Allen H.; Lee, S.-H

    2014-11-19T23:59:59.000Z

    We report ambient measurements of amines and ammonia with a fast response chemical ionization mass spectrometer (CIMS) in a Southeastern U.S. forest in Alabama and a moderately polluted Midwestern site during the summer. In the Alabama forest, mostly C3-amines (from pptv to tens of pptv) and ammonia (up to 2 ppbv) were detected on a daily basis. C3-amines and ammonia showed similar diurnal trends and temperature and wind direction dependences, and were not associated with transported CO and SO2 plumes. Consistent with temperature dependences, amine and ammonia in the gas and aerosol phases showed opposite diurnal trends, indicating gas-to-particle partitioning of amines and ammonia. Temperature dependences also imply reversible processes of amines and ammonia evaporation from soil surfaces in daytime and deposition of amines and ammonia to soil surfaces at nighttime. Various amines (C1-C6) at the pptv level were observed in the transported biomass burning plumes, showing that biomass burning can be a substantial source of amines in the Southeast U.S. At the moderately polluted Kent site, higher concentrations of amines (C1-C6, from pptv to tens of pptv) and ammonia (up to 6 ppbv) were detected. Diurnal variations of C1- to C3-amines and ammonia were correlated with the ambient temperature. C4- to C6-amines showed abrupt increases during the nighttime, suggesting that they were emitted from local sources. These abundant amines and ammonia may in part explain the frequent new particle formation events reported from Kent. Lower amine concentrations at the rural forested site highlight the importance of constraining anthropogenic sources of amines.

  16. Quantitative Analysis of Human Salivary Gland-Derived Intact Proteome Using Top-Down Mass Spectrometry

    SciTech Connect (OSTI)

    Wu, Si; Brown, Joseph N.; Tolic, Nikola; Meng, Da; Liu, Xiaowen; Zhang, Haizhen; Zhao, Rui; Moore, Ronald J.; Pevzner, Pavel A.; Smith, Richard D.; Pasa-Tolic, Ljiljana

    2014-05-31T23:59:59.000Z

    There are several notable challenges inherent to fully characterizing the entirety of the human saliva proteome using bottom-up approaches, including polymorphic isoforms, post-translational modifications, unique splice variants, deletions, and truncations. To address these challenges, we have developed a top-down based liquid chromatography-mass spectrometry (LC-MS) approach, which cataloged 20 major human salivary proteins with a total of 83 proteoforms, containing a broad range of post-translational modifications. Among these proteins, several previously reported disease biomarker proteins were identified at the intact protein level, such as beta-2 microglobulin (B2M). In addition, intact glycosylated proteoforms of several saliva proteins were also characterized, including intact N-glycosylated protein prolactin inducible protein (PIP) and O-glycosylated acidic protein rich protein (aPRP). These characterized proteoforms constitute an intact saliva proteoform database, which was used for quantitative comparison of intact salivary proteoforms among six healthy individuals. Human parotid (PS) and submandibular/sublingual gland (SMSL) secretion samples (2 ?g of protein each) from six healthy individuals were compared using RPLC coupled with the 12T FTICR mass spectrometer. Significantly different protein and PTM patterns were resolved with high reproducibility between PS and SMSL glands. The results from this study provide further insight into the potential mechanisms of PTM pathways in oral glandular secretion, expanding our knowledge of this complex yet easily accessible fluid. Intact protein LC-MS approach presented herein can potentially be applied for rapid and accurate identification of biomarkers from only a few microliters of human glandular saliva.

  17. Detection of photon bursts from single 200 eV Mg ions: Progress in photon burst mass spectrometry

    SciTech Connect (OSTI)

    Fairbank, W.M. Jr.; LaBelle, R.D.; Keller, R.A.; Chamberlin, E.P.

    1989-01-01T23:59:59.000Z

    Modern atom counting methods, based on advances in laser and accelerator technology, provide a valuable complement to traditional decay counting methods for radioisotope dating and tracer work. Tandem Accelerator Mass Spectrometry (TAMS) has already had a large impact on /sup 14/C dating and is beginning to provide new opportunities with /sup 10/Be and several other isotopes. We report here on progress in the development of a laser-based technique, Photon Burst Mass Spectrometry, which is potentially capable of analyzing many of the elements which are forbidden in TAMS because they do not form negative ions. We are especially interested in the noble gases, which have a variety of potential scientific and environmental applications.

  18. 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

    2014-12-01T23:59:59.000Z

    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.

  19. 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

    2007-09-17T23:59:59.000Z

    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 (PDMS/DVB) fiber was used...

  20. Measurement of low radioactivity background in a high voltage cable by high resolution inductively coupled plasma mass spectrometry

    SciTech Connect (OSTI)

    Vacri, M. L. di; Nisi, S.; Balata, M. [Gran Sasso National Laboratory, Chemistry Service, SS 17bis km 18.910, 67100 Assergi (Aq) (Italy)] [Gran Sasso National Laboratory, Chemistry Service, SS 17bis km 18.910, 67100 Assergi (Aq) (Italy)

    2013-08-08T23:59:59.000Z

    The measurement of naturally occurring low level radioactivity background in a high voltage (HV) cable by high resolution inductively coupled plasma mass spectrometry (HR ICP MS) is presented in this work. The measurements were performed at the Chemistry Service of the Gran Sasso National Laboratory. The contributions to the radioactive background coming from the different components of the heterogeneous material were separated. Based on the mass fraction of the cable, the whole contamination was calculated. The HR ICP MS results were cross-checked by gamma ray spectroscopy analysis that was performed at the low background facility STELLA (Sub Terranean Low Level Assay) of the LNGS underground lab using HPGe detectors.

  1. A new detector for mass spectrometry: Direct detection of low energy ions using a multi-pixel photon counter

    SciTech Connect (OSTI)

    Wilman, Edward S.; Gardiner, Sara H.; Vallance, Claire [Department of Chemistry, University of Oxford, Chemistry Research Laboratory, 12 Mansfield Rd, Oxford OX1 3TA (United Kingdom); Nomerotski, Andrei [Department of Physics, University of Oxford, Denys Wilkinson Building, Keble Rd, Oxford OX1 3RH (United Kingdom); Turchetta, Renato [Rutherford Appleton Laboratory, Chilton, Didcot, Oxfordshire OX11 0QX (United Kingdom); Brouard, Mark [Department of Chemistry, University of Oxford, Physical and Theoretical Chemistry Laboratory, South Parks Rd, Oxford OX1 3QZ (United Kingdom)

    2012-01-15T23:59:59.000Z

    A new type of ion detector for mass spectrometry and general detection of low energy ions is presented. The detector consists of a scintillator optically coupled to a single-photon avalanche photodiode (SPAD) array. A prototype sensor has been constructed from a LYSO (Lu{sub 1.8}Y{sub 0.2}SiO{sub 5}(Ce)) scintillator crystal coupled to a commercial SPAD array detector. As proof of concept, the detector is used to record the time-of-flight mass spectra of butanone and carbon disulphide, and the dependence of detection sensitivity on the ion kinetic energy is characterised.

  2. 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.

    2013-10-02T23:59:59.000Z

    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.

  3. Probing Molecular Associations of Field-Collected and Laboratory-Generated SOA with Nano-DESI High-Resolution Mass Spectrometry

    SciTech Connect (OSTI)

    O'Brien, Rachel E.; Nguyen, Tran B.; Laskin, Alexander; Laskin, Julia; Hayes, Patrick L.; Liu, Shang; Jimenez, Jose L.; Russell, Lynn M.; Nizkorodov, Sergey; Goldstein, Allen H.

    2013-01-30T23:59:59.000Z

    Aerosol samples from the 2010 CalNex field study in Bakersfield (BF) and Los Angeles (LA) were analyzed using positive mode nanospray-desorption electrospray ionization mass spectrometry (nano-DESI-MS). Secondary organic aerosol (SOA) produced in a photochemical chamber by photooxidation of diesel (DSL) fuel and isoprene (ISO) under humid, high-NOx conditions, was analyzed for comparison. Three groups of organic compounds with zero, one, or two nitrogen atoms in their molecular formulas (0N, 1N, 2N) were compared in detail. The composition of ambient SOA exhibited greater overlap with DSL than with ISO. The overlap of the chamber experiments with the BF data was relatively consistent throughout the day while the overlap with LA data increased significantly in the noon-6pm sample, consistent with the SOA plume arriving from downtown Los Angeles. BF samples were more oxidized, contained more organic nitrogen, and had more overlap with the chamber data compared to LA samples. The addition of gaseous ammonia (NH3) to the DSL experiment was necessary to generate many of the 2N compounds observed in BF. This analysis demonstrates that DSL and ISO were important sources but cannot account for all of the observed ambient compounds indicating that other sources of organics were also likely important.

  4. {sup 99}Tc bioassay by inductively coupled plasma mass spectrometry (ICP-MS)

    SciTech Connect (OSTI)

    Lewis, L.A.

    1998-05-01T23:59:59.000Z

    A means of analyzing {sup 99}Tc in urine by inductively coupled plasma mass spectrometry (ICP-MS) has been developed. Historically, {sup 99}Tc analysis was based on the radiometric detection of the 293 keV E{sub Max} beta decay product by liquid scintillation or gas flow proportional counting. In a urine matrix, the analysis of{sup 99}Tc is plagued with many difficulties using conventional radiometric methods. Difficulties originate during chemical separation due to the volatile nature of Tc{sub 2}O{sub 7} or during radiation detection due to color or chemical quenching. A separation scheme for {sup 99}Tc detection by ICP-MS is given and is proven to be a sensitive and robust analytical alternative. A comparison of methods using radiometric and mass quantitation of {sup 99}Tc has been conducted in water, artificial urine, and real urine matrices at activity levels between 700 and 2,200 dpm/L. Liquid scintillation results based on an external standard quench correction and a quench curve correction method are compared to results obtained by ICP-MS. Each method produced accurate results, however the precision of the ICP-MS results is superior to that of liquid scintillation results. Limits of detection (LOD) for ICP-MS and liquid scintillation detection are 14.67 and 203.4 dpm/L, respectively, in a real urine matrix. In order to determine the basis for the increased precision of the ICP-MS results, the detection sensitivity for each method is derived and measured. The detection sensitivity for the {sup 99}Tc isotope by ICP-MS is 2.175 x 10{sup {minus}7} {+-} 8.990 x 10{sup {minus}9} and by liquid scintillation is 7.434 x 10{sup {minus}14} {+-} 7.461 x 10{sup {minus}15}. A difference by seven orders of magnitude between the two detection systems allows ICP-MS samples to be analyzed for a period of 15 s compared to 3,600 s by liquid scintillation counting with a lower LOD.

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

    SciTech Connect (OSTI)

    Maxwell, S.

    2010-07-26T23:59:59.000Z

    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.

  6. 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.

    2010-10-12T23:59:59.000Z

    with Electron Impact) grid a transparent array of thin wires used in charged particle optics IMS Ion Mobility Spectrometry LDI Laser Desorption/Ionization longitudinal/axial the direction parallel to the transit of the ion beam or swarm MALDI Matrix... 1-2.1 Electric Field Considerations for IMS Experiments .......... 13 1-2.2 Measurement of Mobility Constants and the Gas Phase Collision Cross Section ................................................... 15 1-3 Separation Efficiency...

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

    SciTech Connect (OSTI)

    McIntyre, Sally M.

    2010-05-16T23:59:59.000Z

    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

  8. Measurement of Trace I-129 Concentrations in CsI Powder and Organic Liquid Scintillator with Accelerator Mass Spectrometry

    E-Print Network [OSTI]

    K. J. Dong

    2005-12-01T23:59:59.000Z

    Levels of trace radiopurity in active detector materials is a subject of major concern in low-background experiments. Procedures were devised to measure trace concentrations of I-129 in the inorganic salt CsI as well as in organic liquid scintillator with Accelerator Mass Spectrometry (AMS) which leads to improvement in sensitivities by several orders of magnitude over other methods. No evidence of their existence in these materials were observed. Limits of scintillator, respectively, were derived.These are the first results in a research program whose goals are to develop techniques to measure trace radioactivity in detector materials by AMS.

  9. Measurement of Trace $^{129}I$ Concentrations in CsI Powder and Organic Liquid Scintillator with Accelerator Mass Spectrometry

    E-Print Network [OSTI]

    Dong, K J

    2007-01-01T23:59:59.000Z

    Levels of trace radiopurity in active detector materials is a subject of major concern in low-background experiments. Procedures were devised to measure trace concentrations of I-129 in the inorganic salt CsI as well as in organic liquid scintillator with Accelerator Mass Spectrometry (AMS) which leads to improvement in sensitivities by several orders of magnitude over other methods. No evidence of their existence in these materials were observed. Limits of scintillator, respectively, were derived.These are the first results in a research program whose goals are to develop techniques to measure trace radioactivity in detector materials by AMS.

  10. affinity-purification mass spectrometry: Topics by E-print Network

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

    give comments on precautions Proposed Structure: Nominal Mass (low res.) Accurate Mass (high res.) Atomic Composition*) MSMS (CID) Resolution Polarity: Positive Negative *) Atomic...

  11. International Journal of Mass Spectrometry 248 (2006) 18 Molecular hydrogen ion elimination from alkyl iodides

    E-Print Network [OSTI]

    Strathclyde, University of

    reported on many occasions [1­7]. Recently, we have studied the ionization/dissociation pro- cesses of some 26510 98695. E-mail address: kkosmid@cc.uoi.gr (C. Kosmidis). ethane, propane, etc.) has been studied of propane, Tonokura et al. [13] have shown that the atomic hydrogen elim- ination channel exhibits a site

  12. International Journal of Mass Spectrometry and Ion Processes, 94 (1989) 63-85 Elsevier Science Publishers B.V., Amsterdam -Printed in The Netherlands

    E-Print Network [OSTI]

    Vertes, Akos

    in the understanding of the formation of mass spectra, among them the unexpectedly high kinetic energy of the laserInternational Journal of Mass Spectrometry and Ion Processes, 94 (1989) 63-85 Elsevier Science, cloud extensions, ion yields, relative sensitivity factors and ion kinetic energy distributions, i

  13. Discovering Mercury Protein Modifications in Whole Proteomes Using Natural Isotope Distributions Observed in Liquid Chromatography-Tandem Mass Spectrometry

    SciTech Connect (OSTI)

    Polacco, Benjamin J.; Purvine, Samuel O.; Zink, Erika M.; LaVoie, Stephen P.; Lipton, Mary S.; Summers, Anne O.; Miller, Susan M.

    2011-08-01T23:59:59.000Z

    The identification of peptides that result from post-translational modifications is critical for understanding normal pathways of cellular regulation as well as identifying damage from, or exposures to xenobiotics, i.e. the exposome. However, because of their low abundance in proteomes, effective detection of modified peptides by mass spectrometry (MS) typically requires enrichment to eliminate false identifications. We present a new method for confidently identifying peptides with mercury (Hg)-containing adducts that is based on the influence of mercury’s seven stable isotopes on peptide isotope distributions detected by high-resolution MS. Using a pure protein and E. coli cultures exposed to phenyl mercuric acetate, we show the pattern of peak heights in isotope distributions from primary MS single scans efficiently identified Hg adducts in data from chromatographic separation coupled with tandem mass spectrometry with sensitivity and specificity greater than 90%. Isotope distributions are independent of peptide identifications based on peptide fragmentation (e.g. by SEQUEST), so both methods can be combined to eliminate false positives. Summing peptide isotope distributions across multiple scans improved specificity to 99.4% and sensitivity above 95%, affording identification of an unexpected Hg modification. We also illustrate the theoretical applicability of the method for detection of several less common elements including the essential element, selenium, as selenocysteine in peptides.

  14. 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.

    2015-01-01T23:59:59.000Z

    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.

  15. Enhancement of concentration range of chromatographically detectable components with array detector mass spectrometry

    DOE Patents [OSTI]

    Enke, Christie

    2013-02-19T23:59:59.000Z

    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.

  16. Molecular Resolution and Fragmentation of Fulvic Acid by Electrospray Ionization/Multistage Tandem

    E-Print Network [OSTI]

    investigated by electrospray ionization/ion trap multistage tandem mass spectrometry (ESI/MST/ MS). ESI% water mobile phase found that negative ion detection gave the optimum generation of parent ions that can and specific high molecular weight standards found multiply charged negative ions that gave a low bias

  17. Isomer discrimination of polycyclic aromatic hydrocarbons in the Murchison meteorite by resonant ionization

    E-Print Network [OSTI]

    de Vries, Mattanjah S.

    Isomer discrimination of polycyclic aromatic hydrocarbons in the Murchison meteorite by resonant between isomers of polycyclic aromatic hydrocarbons in the Murchison meteorite. We measured the 2C-R2PI: Resonant ionization; Jet cooling; Mass spectrometry; Polycyclic aromatic hydrocarbons; Murchison meteorite

  18. Deconstruction of Activity-Dependent Covalent Modification of Heme in Human Neutrophil Myeloperoxidase by Multistage Mass Spectrometry (MS[superscript 4])

    SciTech Connect (OSTI)

    Geoghegan, Kieran F.; Varghese, Alison H.; Feng, Xidong; Bessire, Andrew J.; Conboy, James J.; Ruggeri, Roger B.; Ahn, Kay; Spath, Samantha N.; Filippov, Sergey V.; Conrad, Steven J.; Carpino, Philip A.; Guimarães, Cristiano R.W.; Vajdos, Felix F. (Pfizer)

    2013-03-07T23:59:59.000Z

    Myeloperoxidase (MPO) is known to be inactivated and covalently modified by treatment with hydrogen peroxide and agents similar to 3-(2-ethoxypropyl)-2-thioxo-2,3-dihydro-1H-purin-6(9H)-one (1), a 254.08 Da derivative of 2-thioxanthine. Peptide mapping by liquid chromatography and mass spectrometry detected modification by 1 in a labile peptide-heme-peptide fragment of the enzyme, accompanied by a mass increase of 252.08 Da. The loss of two hydrogen atoms was consistent with mechanism-based oxidative coupling. Multistage mass spectrometry (MS{sup 4}) of the modified fragment in an ion trap/Orbitrap spectrometer demonstrated that 1 was coupled directly to heme. Use of a 10 amu window delivered the full isotopic envelope of each precursor ion to collision-induced dissociation, preserving definitive isotopic profiles for iron-containing fragments through successive steps of multistage mass spectrometry. Iron isotope signatures and accurate mass measurements supported the structural assignments. Crystallographic analysis confirmed linkage between the methyl substituent of the heme pyrrole D ring and the sulfur atom of 1. The final orientation of 1 perpendicular to the plane of the heme ring suggested a mechanism consisting of two consecutive one-electron oxidations of 1 by MPO. Multistage mass spectrometry using stage-specific collision energies permits stepwise deconstruction of modifications of heme enzymes containing covalent links between the heme group and the polypeptide chain.

  19. Studies of the mechanism of the cluster formation in a thermally sampling atmospheric pressure ionization mass spectrometer

    SciTech Connect (OSTI)

    Albrecht, Sascha, E-mail: s.albrecht@fz-juelich.de; Stroh, Fred, E-mail: f.stroh@fz-juelich.de [Forschungszentrum Jülich GmbH, Institute of Energy and Climate Research, Stratosphere (IEK-7), 52428 Jülich (Germany)] [Forschungszentrum Jülich GmbH, Institute of Energy and Climate Research, Stratosphere (IEK-7), 52428 Jülich (Germany); Klopotowski, Sebastian, E-mail: s.klopotowski@uni-wuppertal.de; Derpmann, Valerie, E-mail: v.derpmann@uni-wuppertal.de; Klee, Sonja, E-mail: s.klee@uni-wuppertal.de; Brockmann, Klaus J., E-mail: brockma@uni-wuppertal.de; Benter, Thorsten, E-mail: tbenter@uni-wuppertal.de [Physical and Theoretical Chemistry, Institute for Pure and Applied Mass Spectrometry, University of Wuppertal, 42097 Wuppertal (Germany)] [Physical and Theoretical Chemistry, Institute for Pure and Applied Mass Spectrometry, University of Wuppertal, 42097 Wuppertal (Germany)

    2014-01-15T23:59:59.000Z

    In this study a thermally sampling atmospheric pressure ionization mass spectrometer is described and characterized. The ion transfer stage offers the capability to sample cluster ions at thermal equilibrium and during this transfer fundamental processes possibly affecting the cluster distribution are also readily identified. Additionally, the transfer stage combines optional collision-induced dissociation (CID) analysis of the cluster composition with thermal equilibrium sampling of clusters. The performance of the setup is demonstrated with regard to the proton-bound water cluster system. The benefit of the studied processes is that they can help to improve future transfer stages and to understand cluster ion reactions in ion mobility tubes and high-pressure ion sources. In addition, the instrument allows for the identification of fragmentation and protonation reactions caused by CID.

  20. Investigation of high temperature gaseous species by Knudsen cell mass spectrometry above the condensed systems Au-Ge-Cu and Au-Si / by Joseph Edward Kingcade

    E-Print Network [OSTI]

    Kingcade, Joseph Edward

    1978-01-01T23:59:59.000Z

    : Chemistry INVESTIGATION OF HIGH TEMPERATURE GASEOUS SPECIES BY KNUDSEN CELL MASS SPECTROMETRY ABOVE THE CONDENSED SYSTEMS Au-Ge-Cu AND Au-Si A Thesis by Joseph Edward Kingcade Jr. Approved as to style and content by: ( Chairman of omittee ) ( Head... of Department ) /& I) au~ ( Member ) ( Member ) May 1 978 ABS TRAC T Investigation of High Temperature Gaseous Species by Knudsen Cell Mass Spectrometry Above the Condensed Systems Au-Ge-Cu and Au-Si. ( May 1978 ) Joseph Edward Kingcade Jr. , B. Sc...

  1. Efficient mass-selective three-photon ionization of zirconium atoms

    DOE Patents [OSTI]

    Page, Ralph H. (San Ramon, CA)

    1994-01-01T23:59:59.000Z

    In an AVLIS process, .sup.91 Zr is selectively removed from natural zirconium by a three-step photoionization wherein Zr atoms are irradiated by a laser beam having a wavelength .lambda..sub.1, selectively raising .sup.91 Zr atoms to an odd-parity E.sub.1 energy level in the range of 16000-19000 cm.sup.-1, are irradiated by a laser beam having a wavelength .lambda..sub.2 to raise the atoms from an E.sub.l level to an even-parity E.sub.2 energy level in the range of 35000-37000 cm.sup.-1 and are irradiated by a laser beam having a wavelength .lambda..sub.3 to cause a resonant transition of atoms from an E.sub.2 level to an autoionizing level above 53506 cm.sup.-1. .lambda..sub.3 wavelengths of 5607, 6511 or 5756 .ANG. will excite a zirconium atom from an E.sub.2 energy state of 36344 cm.sup.-1 to an autoionizing level; a .lambda..sub.3 wavelength of 5666 .ANG. will cause an autoionizing transition from an E.sub.2 level of 36068 cm.sup.-1 ; and a .lambda. .sub.3 wavelength of 5662 .ANG. will cause an ionizing resonance of an atom at an E.sub.2 level of 35904 cm.sup.-1.

  2. A Dual Platform for Selective Analyte Enrichment and Ionization in Mass Spectrometry Using Aptamer-Conjugated Graphene Oxide

    E-Print Network [OSTI]

    Tan, Weihong

    -Conjugated Graphene Oxide Basri Gulbakan, Emir Yasun, M. Ibrahim Shukoor, Zhi Zhu, Mingxu You, Xiaohong Tan,, Hernan: This study demonstrates the use of aptamer-conju- gated graphene oxide as an affinity extraction a matrix and with greatly improved signal- to-noise ratios. Aptamer-conjugated graphene oxide has clear

  3. Complete Quantitative online Analysis of Methanol Electrooxidation Prod-ucts via Electron Impact and Electrospray Ionization Mass Spectrometry

    E-Print Network [OSTI]

    Pfeifer, Holger

    1 Complete Quantitative online Analysis of Methanol Electrooxidation Prod- ucts via Electron Impact for application in energy re- lated electrocatalysis is demonstrated using continuous methanol oxidation over

  4. Radiolysis of Amino Acids: A Study Using Raman Spectroscopy, Ultraviolet-Visible Spectrophotometry and Electrospray Ionization Mass Spectrometry

    E-Print Network [OSTI]

    Lou, Jijie

    2014-12-17T23:59:59.000Z

    s s s s s sss s S - y iy s s s s s ys s - f y yy yf fs f s y ssfs ss is s #2;s sss ss s-s s s sfs s fy s-s s s ss s sfs s fy s fs... s s s ................................ 5 4.4.4 s s - s s f s s s y y s s sys s ............. 6 4.4.s s fs s s ss s fs s s sys s s s ......... 8 4.4.4 s s s s is s #2;s sss ss...

  5. O isotopic composition of CaCO3 measured by continuous ow isotope ratio mass spectrometry

    E-Print Network [OSTI]

    d13 C and d18 O isotopic composition of CaCO3 measured by continuous ¯ow isotope ratio mass. This new method streamlines the classical phosphoric acid/calcium carbonate (H3PO4/CaCO3) reaction method XL continuous flow isotope ratio mass spectrometer. Conditions for which the H3PO4/CaCO3 reaction

  6. Distance Restraints from Crosslinking Mass Spectrometry: Mining a Molecular Dynamics Simulation Database to Evaluate Lysine-Lysine Distances

    SciTech Connect (OSTI)

    Merkley, Eric D.; Rysavy, Steven; Kahraman, Abdullah; Hafen, Ryan P.; Daggett, Valerie; Adkins, Joshua N.

    2014-03-18T23:59:59.000Z

    Integrative structural biology models the structures of protein complexes that are intractable by classical structural methods (because of extreme size, dynamics, or heterogeneity) by combining computational structural modeling with data from experimental methods. One such method is chemical cross-linking mass spectrometry (XL-MS), in which cross-linked peptides, derived from a covalently cross-linked protein complex and identified by liquid chromatography-mass spectrometry, pinpoint protein residues close in three-dimensional space. The commonly used lysine-reactive N-hydroxysuccinimide ester reagents disuccinimidylsuberate (DSS) and bis(sulfosuccinimidyl)suberate (BS3) have a linker arm that is 11.4 Å long when fully extended. However, XL-MS studies on proteins of known structure frequently report cross-links that exceed this distance. Typically, a tolerance of ~3 Å is added to the theoretical maximum to account for this observation, with little justification for the value chosen. We used the Dynameomics database, a repository of high-quality molecular dynamics simulations of 807 proteins representative of all protein folds, to investigate the change in lysine-lysine distances resulting from native-state dynamics on the time-scale of tens of nanoseconds. We conclude that observed cross-links are consistent with a protein structure if the distance between cross-linked lysine N? atoms is less than the cross-linker length plus 11.3 Å. For DSS or BS3, this corresponds to a C? to C? distance of 30.4 Å. This analysis provides a theoretical basis for the widespread practice of adding a tolerance to the crosslinker length when comparing XL-MS results to structures, and indicates the appropriate values of an XLMS derived distance constraint to use in structural modeling.

  7. International Journal of Mass Spectrometry and Zon Processes, 78 (1987) 357-392 Elsevier Science Publishers B.V., Amsterdam -Printed in The Netherlands

    E-Print Network [OSTI]

    Johnson, Robert E.

    that significant radial energy transport determines the yields for water ice sputtering at high excitationInternational Journal of Mass Spectrometry and Zon Processes, 78 (1987) 357-392 Elsevier Science, an effective area, and an effective depth, which is determined by the radial dissipation of energy when ions

  8. International Journal of Mass Spectrometry and Ion Processes, 78 (1987) 237-250 Elsevier Science Publishers B.V., Amsterdam -Printed in The Netherlands

    E-Print Network [OSTI]

    Chait, Brian T.

    of interest with high energy (- 100 MeV) 252Cf fission fragments [l]. This high-energy desorptionInternational Journal of Mass Spectrometry and Ion Processes, 78 (1987) 237-250 Elsevier Science polypeptide. Details of the slow unimolecular decay of high molecular weight multiply protonated polypeptides

  9. 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

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

    E-Print Network [OSTI]

    Shadmehr, Reza

    of process parameters (i.e., pressure, RF power, and gas mixture) on the optical emission and mass spectra.g., chamber pressure, RF power, and gas flow, while others are internal to the condition of the chamber, e

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

    E-Print Network [OSTI]

    Canagaratna, M. R.

    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 ...

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

    E-Print Network [OSTI]

    Sherrod, Stacy D.

    2010-01-14T23:59:59.000Z

    ) improving the analytical figures of merit (i.e., spatial resolution, analysis time) by implementing a spatially dynamic optical system, and (3) increasing both mass spectral resolution and ion detection sensitivity by modifying a commercial time...

  13. 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, ...

  14. 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 ...

  15. 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

    2014-02-04T23:59:59.000Z

    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.

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

    SciTech Connect (OSTI)

    Timothy B. Onasch

    2011-10-20T23:59:59.000Z

    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).

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

    E-Print Network [OSTI]

    Tao, Lei

    2011-08-08T23:59:59.000Z

    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...

  18. Multiphoton ionization of large water clusters

    SciTech Connect (OSTI)

    Apicella, B., E-mail: apicella@irc.cnr.it [Combustion Research Institute, IRC–C.N.R., P.le Tecchio 80, 80125 Napoli (Italy); Li, X. [Key Laboratory of Power Machinery and Engineering, Ministry of Education, Shanghai Jiao Tong University, Shanghai 200240 (China); Passaro, M. [CNISM and Chemical Engineering, Materials and Industrial Production Department, University of Naples “Federico II,” P.le Tecchio 80, 80125 Napoli (Italy); Spinelli, N. [CNISM and Physics Department, University of Naples “Federico II,” Via Cintia, 80124 Napoli (Italy); Wang, X. [SPIN–C.N.R., Via Cintia, 80124 Napoli (Italy)

    2014-05-28T23:59:59.000Z

    Water clusters are multimers of water molecules held together by hydrogen bonds. In the present work, multiphoton ionization in the UV range coupled with time of flight mass spectrometry has been applied to water clusters with up to 160 molecules in order to obtain information on the electronic states of clusters of different sizes up to dimensions that can approximate the bulk phase. The dependence of ion intensities of water clusters and their metastable fragments produced by laser ionization at 355 nm on laser power density indicates a (3+1)-photon resonance-enhanced multiphoton ionization process. It also explains the large increase of ionization efficiency at 355 nm compared to that at 266 nm. Indeed, it was found, by applying both nanosecond and picosecond laser ionization with the two different UV wavelengths, that no water cluster sequences after n = 9 could be observed at 266 nm, whereas water clusters up to m/z 2000 Th in reflectron mode and m/z 3000 Th in linear mode were detected at 355 nm. The agreement between our findings on clusters of water, especially true in the range with n > 10, and reported data for liquid water supports the hypothesis that clusters above a critical dimension can approximate the liquid phase. It should thus be possible to study clusters just above 10 water molecules, for getting information on the bulk phase structure.

  19. Determination of thorium in seawater by neutron activation analysis and mass spectrometry

    SciTech Connect (OSTI)

    Huh, Chih-An

    1987-01-01T23:59:59.000Z

    The recent development of neutron activation analysis and mass spectrometric methods for the determination of /sup 232/Th in seawater has made possible rapid sampling and analysis of this long-lived, non-radiogenic thorium isotope on small-volume samples. The marine geochemical utility of /sup 232/Th, whose concentration in seawater is extremely low, warrants the development of these sensitive techniques. The analytical methods and some results are presented and discussed in this article. 24 refs., 3 figs.

  20. 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)

    2009-11-03T23:59:59.000Z

    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.

  1. The effect of ultrafast laser wavelength on ablation properties and implications on sample introduction in inductively coupled plasma mass spectrometry

    SciTech Connect (OSTI)

    LaHaye, N. L.; Harilal, S. S.; Diwakar, P. K.; Hassanein, A. [Center for Materials under Extreme Environment, School of Nuclear Engineering Purdue University, West Lafayette, Indiana 47907 (United States); Kulkarni, P. [Centers for Disease Control and Prevention, National Institute of Occupational Safety and Health, Cincinnati, Ohio 45213 (United States)

    2013-07-14T23:59:59.000Z

    We investigated the role of femtosecond (fs) laser wavelength on laser ablation (LA) and its relation to laser generated aerosol counts and particle distribution, inductively coupled plasma-mass spectrometry (ICP-MS) signal intensity, detection limits, and elemental fractionation. Four different NIST standard reference materials (610, 613, 615, and 616) were ablated using 400 nm and 800 nm fs laser pulses to study the effect of wavelength on laser ablation rate, accuracy, precision, and fractionation. Our results show that the detection limits are lower for 400 nm laser excitation than 800 nm laser excitation at lower laser energies but approximately equal at higher energies. Ablation threshold was also found to be lower for 400 nm than 800 nm laser excitation. Particle size distributions are very similar for 400 nm and 800 nm wavelengths; however, they differ significantly in counts at similar laser fluence levels. This study concludes that 400 nm LA is more beneficial for sample introduction in ICP-MS, particularly when lower laser energies are to be used for ablation.

  2. 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.

    2004-01-01T23:59:59.000Z

    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

  3. Enrichment and Analysis of Nonenzymatically Glycated Peptides: Boronate Affinity Chromatography Coupled with Electron-Transfer Dissociation Mass Spectrometry

    SciTech Connect (OSTI)

    Zhang, Qibin; Tang, Ning; Brock, Jonathan W.; Mottaz, Heather M.; Ames, Jennifer M.; Baynes, John; Smith, Richard D.; Metz, Thomas O.

    2007-06-01T23:59:59.000Z

    Non-enzymatic glycation of peptides and proteins by D-glucose has important implications in the pathogenesis of diabetes mellitus, particularly in the development of diabetic complications. However, no effective high-throughput methods exist for identifying proteins containing this low abundance post-translational modification in bottom-up proteomic studies. In this report, phenylboronate affinity chromatography was used in a two-step enrichment scheme to selectively isolate first glycated proteins and then glycated, tryptic peptides from human serum glycated in vitro. Enriched peptides were subsequently analyzed by alternating electron transfer dissociation (ETD) and collision induced dissociation (CID) tandem mass spectrometry. It was observed that ETD fragmentation mode resulted in a significantly higher number of glycated peptide identifications (87.6% of all identified peptides) versus CID mode (17.0% of all identified peptides), when utilizing dual glycation enrichment on both the protein and peptide level. This study illustrates that phenylboronate affinity chromatography coupled with LC-MS/MS with ETD as the fragmentation mode is an efficient approach for analyses of glycated proteins and can have broad applications in studies of diabetes mellitus.

  4. 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

    2010-01-01T23:59:59.000Z

    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 ...

  5. Radial arrays of nano-electrospray ionization emitters and methods of forming electrosprays

    DOE Patents [OSTI]

    Kelly, Ryan T [West Richland, WA; Tang, Keqi [Richland, WA; Smith, Richard D [Richland, WA

    2010-10-19T23:59:59.000Z

    Electrospray ionization emitter arrays, as well as methods for forming electrosprays, are described. The arrays are characterized by a radial configuration of three or more nano-electrospray ionization emitters without an extractor electrode. The methods are characterized by distributing fluid flow of the liquid sample among three or more nano-electrospray ionization emitters, forming an electrospray at outlets of the emitters without utilizing an extractor electrode, and directing the electrosprays into an entrance to a mass spectrometry device. Each of the nano-electrospray ionization emitters can have a discrete channel for fluid flow. The nano-electrospray ionization emitters are circularly arranged such that each is shielded substantially equally from an electrospray-inducing electric field.

  6. Fundamental studies of the plasma extraction and ion beam formation processes in inductively coupled plasma mass spectrometry

    SciTech Connect (OSTI)

    Niu, Hongsen

    1995-02-10T23:59:59.000Z

    The fundamental and practical aspects are described for extracting ions from atmospheric pressure plasma sources into an analytical mass spectrometer. Methodologies and basic concepts of inductively coupled plasma mass spectrometry (ICP-MS) are emphasized in the discussion, including ion source, sampling interface, supersonic expansion, slumming process, ion optics and beam focusing, and vacuum considerations. Some new developments and innovative designs are introduced. The plasma extraction process in ICP-MS was investigated by Langmuir measurements in the region between the skimmer and first ion lens. Electron temperature (T{sub e}) is in the range 2000--11000 K and changes with probe position inside an aerosol gas flow. Electron density (n{sub e}) is in the range 10{sup 8}--10{sup 10} {sup {minus}cm }at the skimmer tip and drops abruptly to 10{sup 6}--10{sup 8} cm{sup {minus}3} near the skimmer tip and drops abruptly to 10{sup 6}--10{sup 8} cm{sup {minus}3} downstream further behind the skimmer. Electron density in the beam leaving the skimmer also depends on water loading and on the presence and mass of matrix elements. Axially resolved distributions of electron number-density and electron temperature were obtained to characterize the ion beam at a variety of plasma operating conditions. The electron density dropped by a factor of 101 along the centerline between the sampler and skimmer cones in the first stage and continued to drop by factors of 10{sup 4}--10{sup 5} downstream of skimmer to the entrance of ion lens. The electron density in the beam expansion behind sampler cone exhibited a 1/z{sup 2} intensity fall-off (z is the axial position). An second beam expansion originated from the skimmer entrance, and the beam flow underwent with another 1/z{sup 2} fall-off behind the skimmer. Skimmer interactions play an important role in plasma extraction in the ICP-MS instrument.

  7. 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

    2006-04-12T23:59:59.000Z

    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...

  8. 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

    2006-04-12T23:59:59.000Z

    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...

  9. SAMPLING AND MASS SPECTROMETRY APPROACHES FOR THE DETECTION OF DRUGS AND FOREIGN CONTAMINANTS IN BREATH FOR HOMELAND SECURITY APPLICATIONS

    SciTech Connect (OSTI)

    Martin, A N

    2009-01-27T23:59:59.000Z

    Homeland security relies heavily on analytical chemistry to identify suspicious materials and persons. Traditionally this role has focused on attribution, determining the type and origin of an explosive, for example. But as technology advances, analytical chemistry can and will play an important role in the prevention and preemption of terrorist attacks. More sensitive and selective detection techniques can allow suspicious materials and persons to be identified even before a final destructive product is made. The work presented herein focuses on the use of commercial and novel detection techniques for application to the prevention of terrorist activities. Although drugs are not commonly thought of when discussing terrorism, narcoterrorism has become a significant threat in the 21st century. The role of the drug trade in the funding of terrorist groups is prevalent; thus, reducing the trafficking of illegal drugs can play a role in the prevention of terrorism by cutting off much needed funding. To do so, sensitive, specific, and robust analytical equipment is needed to quickly identify a suspected drug sample no matter what matrix it is in. Single Particle Aerosol Mass Spectrometry (SPAMS) is a novel technique that has previously been applied to biological and chemical detection. The current work applies SPAMS to drug analysis, identifying the active ingredients in single component, multi-component, and multi-tablet drug samples in a relatively non-destructive manner. In order to do so, a sampling apparatus was created to allow particle generation from drug tablets with on-line introduction to the SPAMS instrument. Rules trees were developed to automate the identification of drug samples on a single particle basis. A novel analytical scheme was also developed to identify suspect individuals based on chemical signatures in human breath. Human breath was sampled using an RTube{trademark} and the trace volatile organic compounds (VOCs) were preconcentrated using solid phase microextraction (SPME) and identified using gas chromatography - mass spectrometry (GC-MS). Modifications to the sampling apparatus allowed for increased VOC collection efficiency, and reduced the time of sampling and analysis by over 25%. The VOCs are present in breath due to either endogenous production, or exposure to an external source through absorption, inhalation, or ingestion. Detection of these exogenous chemicals can provide information on the prior location and activities of the subject. Breath samples collected before and after exposure in a hardware store and nail salon were analyzed to investigate the prior location of a subject; breath samples collected before and after oral exposure to terpenes and terpenoid compounds, pseudoephedrine, and inhalation exposure to hexamine and other explosive related compounds were analyzed to investigate the prior activity of a subject. The elimination of such compounds from the body was also monitored. In application, this technique may provide an early warning system to identify persons of interest in the prevention and preemption stages of homeland security.

  10. Periostin, discovered by nano-flow liquid chromatography and mass spectrometry, is a novel marker of diabetic retinopathy

    SciTech Connect (OSTI)

    Takada, Michiya [Division of Diabetes, Metabolism and Endocrinology, Department of Internal Medicine, Showa University School of Medicine, Tokyo (Japan)] [Division of Diabetes, Metabolism and Endocrinology, Department of Internal Medicine, Showa University School of Medicine, Tokyo (Japan); Ban, Yoshiyuki, E-mail: yshyban@yahoo.co.jp [Division of Diabetes, Metabolism and Endocrinology, Department of Internal Medicine, Showa University School of Medicine, Tokyo (Japan)] [Division of Diabetes, Metabolism and Endocrinology, Department of Internal Medicine, Showa University School of Medicine, Tokyo (Japan); Yamamoto, Gou [Department of Oral Pathology and Diagnosis, School of Dentistry, Showa University, Tokyo (Japan)] [Department of Oral Pathology and Diagnosis, School of Dentistry, Showa University, Tokyo (Japan); Ueda, Toshihiko; Saito, Yuta; Nishimura, Eiichi; Fujisawa, Kunimi; Koide, Ryohei [Department of Ophthalmology, Showa University School of Medicine, Tokyo (Japan)] [Department of Ophthalmology, Showa University School of Medicine, Tokyo (Japan); Mizutani, Masakazu; Kozawa, Tadahiko; Shiraishi, Yuji [Kozawa Eye Hospital and Diabetes Center, Ibaraki-ken (Japan)] [Kozawa Eye Hospital and Diabetes Center, Ibaraki-ken (Japan); Bando, Yasuhiko [Biosys Technologies, Inc., Meguro, Tokyo (Japan)] [Biosys Technologies, Inc., Meguro, Tokyo (Japan); Tachikawa, Tetsuhiko [Department of Oral Pathology and Diagnosis, School of Dentistry, Showa University, Tokyo (Japan)] [Department of Oral Pathology and Diagnosis, School of Dentistry, Showa University, Tokyo (Japan); Hirano, Tsutomu [Division of Diabetes, Metabolism and Endocrinology, Department of Internal Medicine, Showa University School of Medicine, Tokyo (Japan)] [Division of Diabetes, Metabolism and Endocrinology, Department of Internal Medicine, Showa University School of Medicine, Tokyo (Japan)

    2010-08-20T23:59:59.000Z

    Research highlights: {yields} In proliferative membrane and epiretinal membrane specimens, the numbers of proteins are 225 and 154, respectively, and 123 proteins are common to both. {yields} Periostin and thrombospondin-1 proteins are unique to the proliferative membrane specimens. {yields} The expression of periostin is significantly up-regulated in proliferative membrane specimens. -- Abstract: Diabetes can lead to serious microvascular complications including proliferative diabetic retinopathy (PDR), the leading cause of blindness in adults. Recent studies using gene array technology have attempted to apply a hypothesis-generating approach to elucidate the pathogenesis of PDR, but these studies rely on mRNA differences, which may or may not be related to significant biological processes. To better understand the basic mechanisms of PDR and to identify potential new biomarkers, we performed shotgun liquid chromatography (LC)/tandem mass spectrometry (MS/MS) analysis on pooled protein extracts from neovascular membranes obtained from PDR specimens and compared the results with those from non-vascular epiretinal membrane (ERM) specimens. We detected 226 distinct proteins in neovascular membranes and 154 in ERM. Among these proteins, 102 were specific to neovascular membranes and 30 were specific to ERM. We identified a candidate marker, periostin, as well as several known PDR markers such as pigment epithelium-derived factor (PEDF). We then performed RT-PCR using these markers. The expression of periostin was significantly up-regulated in proliferative membrane specimens. Periostin induces cell attachment and spreading and plays a role in cell adhesion. Proteomic analysis by LC/MS/MS, which permits accurate quantitative comparison, was useful in identifying new candidates such as periostin potentially involved in the pathogenesis of PDR.

  11. Spatially resolved chemical imaging of individual atmospheric particles using nanoscale imaging mass spectrometry: Insighs into particle origin and chemistry

    SciTech Connect (OSTI)

    Ghosal, Sutapa; Weber, Peter K.; Laskin, Alexander

    2014-04-21T23:59:59.000Z

    Knowledge of the spatially-resolved composition of atmospheric particles is essential for differentiating between their surface versus bulk chemistry, understanding particle reactivity and the potential environmental impact. We demonstrate the application of nanometer-scale secondary ion mass spectrometry (Cameca NanoSIMS 50 ion probe) for 3D chemical imaging of individual atmospheric particles without any sample pre-treatment, such as the sectioning of particles. Use of NanoSIMS depth profile analysis enables elemental mapping of particles with nanometer spatial resolution over a broad of range of particle sizes. We have used this technique to probe spatially resolved composition of ambient particles collected during a field campaign in Mexico City. Particles collected during this campaign have been extensively characterized in the past using other particle analysis techniques and hence offer a unique opportunity for exploring the utility of depth resolved chemical imaging in ambient particle research. 1 Particles examined in this study include those collected during a pollution episode related to urban waste incineration as well as background particles from the same location prior to the episode. Particles from the pollution episode show substantial intra-particle compositional variability typical of particles resulting from multiple emission sources. In contrast, the background particles have relatively homogeneous compositions with enhanced presence of nitrogen, oxygen and chlorine at the particle surface. The observed surface enhancement of nitrogen and oxygen species is consistent with the presence of surface nitrates resulting from gas-particle heterogeneous interactions and is indicative of atmospheric ageing of the particles. The results presented here illustrate 3D characterization of ambient particles for insights into their chemical history.

  12. Gas Chromatography -Mass Spectrometry

    E-Print Network [OSTI]

    Nizkorodov, Sergey

    , ethanol and methyl-t-butyl ether (MTBE). Due to some gasoline leakage from underground storage tanks into drinking water supplies, MTBE has been, or is in the process of being phased out in many areas. The octane

  13. BIOLOGICAL ANALYSIS Mass Spectrometry

    E-Print Network [OSTI]

    Greenaway, Alan

    Microscope) Analytical Equipment · High Performance Liquid Chromatography · Fast Protein Liquid Chromatography · Gas Chromatography · GC/MS · Elemental Analyser Molecular Biology Equipment · Biorad PCR Machine reactor for scale up studies In-line Particle sizers Rheometers Separation tanks Oscillating column (4m

  14. Mass Spectrometry | EMSL

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

    at the cell surface are upregulated within a few hours of purine removal from the media, while other key purine salvage components are upregulated later in the time-course...

  15. 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.)

    2005-01-01T23:59:59.000Z

    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 ...

  16. A Perspective on the Maillard Reaction and the Analysis of Protein Glycation by Mass Spectrometry: Probing the Pathogenesis of Chronic Disease

    SciTech Connect (OSTI)

    Zhang, Qibin; Ames, Jennifer M.; Smith, Richard D.; Baynes, John; Metz, Thomas O.

    2008-12-18T23:59:59.000Z

    The Maillard reaction, starting from the glycation of protein and progressing to the formation of advanced glycation end-products (AGEs), is implicated in the development of complications of diabetes mellitus, as well as in the pathogenesis of cardiovascular, renal, and neurodegenerative diseases. In this perspective review, we provide on overview on the relevance of the Maillard reaction in the pathogenesis of chronic disease and discuss traditional approaches and recent developments in the analysis of glycated proteins by mass spectrometry. We propose that proteomics approaches, particularly bottom-up proteomics, will play a significant role in analyses of clinical samples leading to the identification of new markers of disease development and progression.

  17. Towards secondary ion mass spectrometry on the helium ion microscope: An experimental and simulation based feasibility study with He{sup +} and Ne{sup +} bombardment

    SciTech Connect (OSTI)

    Wirtz, T.; Vanhove, N.; Pillatsch, L.; Dowsett, D. [Department of Science and Analysis of Materials (SAM), Centre de Recherche Public - Gabriel Lippmann, 41 rue du Brill, L-4422 Belvaux (Luxembourg); Sijbrandij, S.; Notte, J. [Carl Zeiss NTS LLC, One Corporation Way, Peabody, Massachusetts 01960 (United States)

    2012-07-23T23:59:59.000Z

    The combination of the high-brightness He{sup +}/Ne{sup +} atomic level ion source with secondary ion mass spectrometry detection capabilities opens up the prospect of obtaining chemical information with high lateral resolution and high sensitivity on the Zeiss ORION helium ion microscope. The analytical performance in terms of sputtering yield, useful yield, and detection limit is studied and subsequently optimized by oxygen and cesium flooding. Detection limits down to 10{sup -6} and 10{sup -5} can be obtained for silicon using Ne{sup +} and He{sup +}, respectively. A simulation based study reveals furthermore that a lateral resolution <10 nm can be obtained.

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

    E-Print Network [OSTI]

    Chen, Liuxi

    2012-10-19T23:59:59.000Z

    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 extended to distinguish...

  19. 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

    2007-01-01T23:59:59.000Z

    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

  20. Metabolic Differences in Microbial Cell Populations Revealed by Nanophotonic Ionization

    SciTech Connect (OSTI)

    Walker, Bennett [George Washington University] [George Washington University; Antonakos, Cory [George Washington University] [George Washington University; Retterer, Scott T [ORNL] [ORNL; Vertes, Akos [George Washington University] [George Washington University

    2013-01-01T23:59:59.000Z

    ellular differences are linked to cell differentiation, the proliferation of cancer and to the development of drug resistance in microbial infections. Due to sensitivity limitations, however, large- scale metabolic analysis at the single cell level is only available for cells significantly larger in volume than Saccharomyces cerevisiae (~30 fL). Here we demonstrate that by a nanophotonic ionization platform and mass spectrometry, over one hundred up to 108 metabolites, or up to 18% of the known S. cerevisiae metabolome, can be identified in very small cell populations (n < 100). Under ideal conditions, r Relative quantitation of up to 4% of the metabolites is achieved at the single cell level.

  1. Study of multilayered SiGe semiconductor structures by X-ray diffractometry, grazing-incidence X-ray reflectometry, and secondary-ion mass spectrometry

    SciTech Connect (OSTI)

    Yunin, P. A., E-mail: yunin@ipmras.ru; Drozdov, Yu. N.; Drozdov, M. N.; Korolev, S. A.; Lobanov, D. N. [Institute for Physics of Microstructures (Russian Federation)

    2013-12-15T23:59:59.000Z

    In this publication, we report the results of studying a multilayerd nonperiodic SiGe/Si structure by the methods of X-ray diffractometry, grazing-angle X-ray reflectometry, and secondary-ion mass spectrometry (SIMS). Special attention is paid to the processing of the component distribution profile using the SIMS method and to consideration of the most significant experimental distortions introduced by this method. A method for processing the measured composition distribution profile with subsequent consideration of the influence of matrix effects, variation in the etching rate, and remnants of ion sputtering is suggested. The results of such processing are compared with a structure model obtained upon combined analysis of X-ray diffractometry and grazing-angle reflectometry data. Good agreement between the results is established. It is shown that the combined use of independent techniques makes it possible to improve the methods of secondary-ion mass spectrometry and grazing-incidence reflectometry as applied to an analysis of multilayered heteroepitaxial structures (to increase the accuracy and informativity of these methods)

  2. Depth distribution of lithium in oxidized binary Al-Li alloys determined by secondary ion mass spectrometry and neutron depth profiling

    SciTech Connect (OSTI)

    Soni, K.K. (Univ. of Chicago, IL (United States)); Williams, D.B. (Lehigh Univ., Bethlehem, PA (United States)); Newbury, D.E.; Chi, P.; Downing, R.G.; Lamaza, G. (National Inst. of Standards and Technology, Gaithersburg, MD (United States))

    1993-01-01T23:59:59.000Z

    Oxidation of binary Al-Li alloys during short exposures at 530 C and long exposures at 200 C was studied with regard to the Li distribution. Secondary ion mass spectrometry (SIMS) and neutron depth profiling (NDP) were used to obtain quantitative Li depth profiles across the surface oxide layer and the underlying alloy. The underlying alloy was depleted in Li as a result of oxidation at 530 and 200 C. The SIMS and NDP results showed good mutual agreement and were used to evaluate the oxide thickness, the Li concentration at the oxide-ally interface, and the mass balance between oxide and alloy. The Li depletion profiles in the alloy were also calculated using the interdiffusion coefficients reported in the literature and compared with the measured profiles; the two profiles differed at 530 C but showed good agreement at 200 C.

  3. High-resolution time-of-flight mass spectrometry fingerprinting of metabolites from cecum and distal colon contents of rats fed resistant starch

    SciTech Connect (OSTI)

    Anderson, Timothy J. [Ames Laboratory; Jones, Roger W. [Ames Laboratory; Ai, Yongfeng [Iowa State University; Houk, Robert S. [Ames Laboratory; Jane, Jay-lin [Iowa State University; Zhao, Yinsheng [Iowa State University; Birt, Diane F. [Iowa State University; McClelland, John F. [Ames Laboratory

    2013-12-04T23:59:59.000Z

    Time-of-flight mass spectrometry along with statistical analysis was utilized to study metabolic profiles among rats fed resistant starch (RS) diets. Fischer 344 rats were fed four starch diets consisting of 55 % (w/w, dbs) starch. A control starch diet consisting of corn starch was compared against three RS diets. The RS diets were high-amylose corn starch (HA7), HA7 chemically modified with octenyl succinic anhydride, and stearic-acid-complexed HA7 starch. A subgroup received antibiotic treatment to determine if perturbations in the gut microbiome were long lasting. A second subgroup was treated with azoxymethane (AOM), a carcinogen. At the end of the 8-week study, cecal and distal colon content samples were collected from the sacrificed rats. Metabolites were extracted from cecal and distal colon samples into acetonitrile. The extracts were then analyzed on an accurate-mass time-of-flight mass spectrometer to obtain their metabolic profile. The data were analyzed using partial least-squares discriminant analysis (PLS-DA). The PLS-DA analysis utilized a training set and verification set to classify samples within diet and treatment groups. PLS-DA could reliably differentiate the diet treatments for both cecal and distal colon samples. The PLS-DA analyses of the antibiotic and no antibiotic-treated subgroups were well classified for cecal samples and modestly separated for distal colon samples. PLS-DA analysis had limited success separating distal colon samples for rats given AOM from those not treated; the cecal samples from AOM had very poor classification. Mass spectrometry profiling coupled with PLS-DA can readily classify metabolite differences among rats given RS diets.

  4. Ionization Thresholds of Small Carbon Clusters: Tunable VUVExperiments and Theory

    SciTech Connect (OSTI)

    Belau, Leonid; Wheeler, Steven E.; Ticknor, Brian W.; Ahmed,Musahid; Leone, Stephen R.; Allen, Wesley D.; Schaefer III, Henry F.; Duncan, Michael A.

    2007-07-31T23:59:59.000Z

    Small carbon clusters (Cn, n = 2-15) are produced in amolecular beam by pulsed laser vaporization and studied with vacuumultraviolet (VUV) photoionization mass spectrometry. The required VUVradiation in the 8-12 eV range is provided by the Advanced Light Source(ALS) at the Lawrence Berkeley National Laboratory. Mass spectra atvarious ionization energies reveal the qualitative relative abundances ofthe neutral carbon clusters produced. By far the most abundant species isC3. Using the tunability of the ALS, ionization threshold spectra arerecorded for the clusters up to 15 atoms in size. The ionizationthresholds are compared to those measured previously with charge-transferbracketing methods. To interpret the ionization thresholds for differentcluster sizes, new ab initio calculations are carried out on the clustersfor n = 4-10. Geometric structures are optimized at the CCSD(T) levelwith cc-pVTZ (or cc-pVDZ) basis sets, and focal point extrapolations areapplied to both neutral and cation species to determine adiabatic andvertical ionization potentials. The comparison of computed and measuredionization potentials makes it possible to investigate the isomericstructures of the neutral clusters produced in this experiment. Themeasurements are inconclusive for the n = 4-6 species because ofunquenched excited electronic states. However, the data provide evidencefor the prominence of linear structures for the n = 7, 9, 11, 13 speciesand the presence of cyclic C10.

  5. A Search for Low-Mass Weakly Interacting Massive Particles Using Voltage-Assisted Calorimetric Ionization Detection in the SuperCDMS Experiment

    SciTech Connect (OSTI)

    Agnese, R.; Anderson, A. J.; Asai, M.; Balakishiyeva, D.; Basu Thakur, R.; Bauer, D. A.; Billard, J.; Borgland, A.; Bowles, M. A.; Brandt, D.; Brink, P. L.; Bunker, R.; Cabrera, B.; Caldwell, D. O.; Cerdeno, D. G.; Chagani, H.; Cooley, J.; Cornell, B.; Crewdson, C. H.; Cushman, Priscilla B.; Daal, M.; Di Stefano, P. C.; Doughty, T.; Esteban, L.; Fallows, S.; Figueroa-Feliciano, E.; Godfrey, G. L.; Golwala, S. R.; Hall, Jeter C.; Harris, H. R.; Hertel, S. A.; Hofer, T.; Holmgren, D.; Hsu, L.; Huber, M. E.; Jastram, A.; Kamaev, O.; Kara, B.; Kelsey, M. H.; Kennedy, A.; Kiveni, M.; Koch, K.; Loer, B.; Lopez Asamar, E.; Mahapatra, R.; Mandic, V.; Martinez, C.; McCarthy, K. A.; Mirabolfathi, N.; Moffatt, R. A.; Moore, D. C.; Nadeau, P.; Nelson, R. H.; Page, K.; Partridge, R.; Pepin, M.; Phipps, A.; Prasad, K.; Pyle, M.; Qiu, H.; Rau, W.; Redi, P.; Reisetter, A.; Ricci, Y.; Saab, T.; Sadoulet, B.; Sander, J.; Schneck, K.; Schnee, Richard; Scorza, S.; Serfass, B.; Shank, B.; Speller, D.; Villano, A. N.; Welliver, B.; Wright, D. H.; Yellin, S.; Yen, J. J.; Young, B. A.; Zhang, J.

    2014-01-27T23:59:59.000Z

    SuperCDMS is an experiment designed to directly detect weakly interacting massive particles (WIMPs), a favored candidate for dark matter ubiquitous in the Universe. In this Letter, we present WIMP-search results using a calorimetric technique we call CDMSlite, which relies on voltage-assisted Luke-Neganov amplification of the ionization energy deposited by particle interactions. The data were collected with a single 0.6 kg germanium detector running for ten live days at the Soudan Underground Laboratory. A low energy threshold of (electron equivalent) was obtained, which allows us to constrain new WIMP-nucleon spin-independent parameter space for WIMP masses below 6 GeV/c^2.

  6. Standard test method for determination of uranium or plutonium isotopic composition or concentration by the total evaporation method using a thermal ionization mass spectrometer

    E-Print Network [OSTI]

    American Society for Testing and Materials. Philadelphia

    2007-01-01T23:59:59.000Z

    1.1 This method describes the determination of the isotopic composition and/or the concentration of uranium and plutonium as nitrate solutions by the thermal ionization mass spectrometric (TIMS) total evaporation method. Purified uranium or plutonium nitrate solutions are loaded onto a degassed metal filament and placed in the mass spectrometer. Under computer control, ion currents are generated by heating of the filament(s). The ion beams are continually measured until the sample is exhausted. The measured ion currents are integrated over the course of the run, and normalized to a reference isotope ion current to yield isotopic ratios. 1.2 In principle, the total evaporation method should yield isotopic ratios that do not require mass bias correction. In practice, some samples may require this bias correction. When compared to the conventional TIMS method, the total evaporation method is approximately two times faster, improves precision from two to four fold, and utilizes smaller sample sizes. 1.3 The tot...

  7. MANTRA: An Integral Reactor Physics Experiment to Infer Actinide Capture Cross-sections from Thorium to Californium with Accelerator Mass Spectrometry

    SciTech Connect (OSTI)

    G. Youinou; C. McGrath; G. Imel; M. Paul; R. Pardo; F. Kondev; M. Salvatores; G. Palmiotti

    2011-08-01T23:59:59.000Z

    The principle of the proposed experiment is to irradiate very pure actinide samples in the Advanced Test Reactor at INL and, after a given time, determine the amount of the different transmutation products. The determination of the nuclide densities before and after neutron irradiation will allow inference of effective neutron capture cross-sections. This approach has been used in the past and the novelty of this experiment is that the atom densities of the different transmutation products will be determined using the Accelerator Mass Spectrometry technique at the ATLAS facility located at ANL. It is currently planned to irradiate the following isotopes: 232Th, 235U, 236U, 238U, 237Np, 238Pu, 239Pu, 240Pu, 241Pu, 242Pu, 241Am, 243Am, 244Cm and 248Cm.

  8. 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

    2011-11-30T23:59:59.000Z

    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.

  9. O Isotopic Composition of CaCO3 Measured by Continuous Flow Isotope Ratio Mass Spectrometry: Statistical Evaluation and

    E-Print Network [OSTI]

    d13 C and d18 O Isotopic Composition of CaCO3 Measured by Continuous Flow Isotope Ratio Mass method streamlines the classical phosphoric acid ­ calcium carbonate (H3 PO4 ­ CaCO3 ) reaction method XL continuous flow isotope ratio mass spectrometer. Conditions for which the H3 PO4 ­ CaCO3 reaction

  10. 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. [Thin Film Physics Div., Department of Physics (IFM), Linkoeping University, SE-581 83 (Sweden); Czigany, Zs. [Institute of Technical Physics and Materials Science, Research Centre for Natural Sciences, Hungarian Academy of Sciences, Konkoly Thege Miklos ut 29-33. H-1121 Budapest (Hungary)

    2012-07-01T23:59:59.000Z

    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.

  11. High mass resolution time of flight mass spectrometer for measuring products in heterogeneous catalysis in highly sensitive microreactors

    SciTech Connect (OSTI)

    Andersen, T.; Jensen, R.; Christensen, M. K.; Chorkendorff, I. [Department of Physics, Danish National Research Foundation's Center for Individual Nanoparticle Functionality (CINF), Technical University of Denmark, Building 312, DK-2800 Kgs. Lyngby (Denmark); Pedersen, T.; Hansen, O. [Department of Micro- and Nanotechnology, Technical University of Denmark, DTU Nanotech Building 345 East, DK-2800 Kgs. Lyngby (Denmark)

    2012-07-15T23:59:59.000Z

    We demonstrate a combined microreactor and time of flight system for testing and characterization of heterogeneous catalysts with high resolution mass spectrometry and high sensitivity. Catalyst testing is performed in silicon-based microreactors which have high sensitivity and fast thermal response. Gas analysis is performed with a time of flight mass spectrometer with a modified nude Bayard-Alpert ionization gauge as gas ionization source. The mass resolution of the time of flight mass spectrometer using the ion gauge as ionization source is estimated to m/{Delta}m > 2500. The system design is superior to conventional batch and flow reactors with accompanying product detection by quadrupole mass spectrometry or gas chromatography not only due to the high sensitivity, fast temperature response, high mass resolution, and fast acquisition time of mass spectra but it also allows wide mass range (0-5000 amu in the current configuration). As a demonstration of the system performance we present data from ammonia oxidation on a Pt thin film showing resolved spectra of OH and NH{sub 3}.

  12. Advanced Mass Calibration and Visualization for FT-ICR Mass Spectromet...

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

    for FT-ICR Mass Spectrometry Imaging. Abstract: Mass spectrometry imaging by Fourier transform ion cyclotron resonance (FT-ICR) yields hundreds of unique peaks, many of...

  13. 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. [UC Santa Barbara

    2013-09-03T23:59:59.000Z

    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.

  14. 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

    2007-01-01T23:59:59.000Z

    mass fractions in particles. Aerosol Science and Technology,mediated lung injury, J. Aerosol Sci. , 29 (5-6), 553-560,from natural to anthropogenic aerosol radiative forcing:

  15. PILOT_PROTEIN: Identification of Unmodified and Modified Proteins via High-Resolution Mass Spectrometry and Mixed-Integer Linear

    E-Print Network [OSTI]

    Shorter, James

    accuracy with a lower false positive rate. All materials are freely available to the scientific community and protein identification and can help reduce the number of false positive resulPILOT_PROTEIN: Identification of Unmodified and Modified Proteins via High-Resolution Mass

  16. 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

  17. and Ion Processes ELSEVIER International Journal of Mass Spectrometry and lon Processes 167/168 (1997) 637-647

    E-Print Network [OSTI]

    Nizkorodov, Sergey

    /168 (1997) 637-647 Microsolvation of the ammonium ion in argon: infrared spectra of NH --Arn complexes (n Received 25 November 1996; accepted 2 June 1997 Abstract Infrared spectra of mass selected NH~-Ar, (n = 1 of the tetrahedral monomer. © 1997 Elsevier Science B.V. © 1997 Elsevier Science B.V. Keywords: Ab initio studies

  18. Investigation of ionized metal flux in enhanced high power impulse magnetron sputtering discharges

    SciTech Connect (OSTI)

    Stranak, Vitezslav, E-mail: stranak@prf.jcu.cz [Faculty of Science, University of South Bohemia, Branisovska 31, 37005 Ceske Budejovice (Czech Republic); Hubicka, Zdenek; Cada, Martin [Institute of Physics v. v. i., Academy of Science of the Czech Republic, Na Slovance 2, 182 21 Prague (Czech Republic); Drache, Steffen; Hippler, Rainer [Institut für Physik, Ernst-Moritz-Arndt-Universität Greifswald, Felix-Hausdorff-Str. 6, 17489 Greifswald (Germany); Tichy, Milan [Faculty of Mathematics and Physics, Charles University in Prague, V Holesovickach 2, 180 00 Prague (Czech Republic)

    2014-04-21T23:59:59.000Z

    The metal ionized flux fraction and production of double charged metal ions Me{sup 2+} of different materials (Al, Cu, Fe, Ti) by High Power Impulse Magnetron Sputtering (HiPIMS) operated with and without a pre-ionization assistance is compared in the paper. The Electron Cyclotron Wave Resonance (ECWR) discharge was employed as the pre-ionization agent providing a seed of charge in the idle time of HiPIMS pulses. A modified grid-free biased quartz crystal microbalance was used to estimate the metal ionized flux fraction ?. The energy-resolved mass spectrometry served as a complementary method to distinguish particular ion contributions to the total ionized flux onto the substrate. The ratio between densities of doubly Me{sup 2+} and singly Me{sup +} charged metal ions was determined. It is shown that ECWR assistance enhances Me{sup 2+} production with respect of absorbed rf-power. The ECWR discharge also increases the metal ionized flux fraction of about 30% especially in the region of lower pressures. Further, the suppression of the gas rarefaction effect due to enhanced secondary electron emission of Me{sup 2+} was observed.

  19. Electronic structure and spectroscopy of nucleic acid bases: Ionization energies, ionization-induced structural changes, and photoelectron spectra

    SciTech Connect (OSTI)

    Bravaya, Ksenia B.; Kostko, Oleg; Dolgikh, Stanislav; Landau, Arie; Ahmed, Musahid; Krylov, Anna I.

    2010-08-02T23:59:59.000Z

    We report high-level ab initio calculations and single-photon ionization mass spectrometry study of ionization of adenine (A), thymine (T), cytosine (C) and guanine (G). For thymine and adenine, only the lowest-energy tautomers were considered, whereas for cytosine and guanine we characterized five lowest-energy tautomeric forms. The first adiabatic and several vertical ionization energies were computed using equation-of-motion coupled-cluster method for ionization potentials with single and double substitutions. Equilibrium structures of the cationic ground states were characterized by DFT with the {omega}B97X-D functional. The ionization-induced geometry changes of the bases are consistent with the shapes of the corresponding molecular orbitals. For the lowest-energy tautomers, the magnitude of the structural relaxation decreases in the following series G > C > A > T, the respective relaxation energies being 0.41, 0.32, 0.25 and 0.20 eV. The computed adiabatic ionization energies (8.13, 8.89, 8.51-8.67 and 7.75-7.87 eV for A,T,C and G, respectively) agree well with the onsets of the photoionization efficiency (PIE) curves (8.20 {+-} 0.05, 8.95 {+-} 0.05, 8.60 {+-} 0.05 and 7.75 {+-} 0.05 eV). Vibrational progressions for the S{sub 0}-D{sub 0} vibronic bands computed within double-harmonic approximation with Duschinsky rotations are compared with previously reported experimental photoelectron spectra.

  20. Studies on the dissociation reactions of [M + H]? and [M + A]? ions of small, model peptides using tandem mass spectrometry and fast atom bombardment ionization

    E-Print Network [OSTI]

    McGlohon, Elizabeth Scott

    1987-01-01T23:59:59.000Z

    10 Collision-induced dissociation (CID) spectrum of the [M + H]+ ious of arg-gly Collision-induced dissociation (CID) spectrum of the [M + Na]+ ions of arg-gly . 27 29 12 13 Collision-induced dissociation (CID) the [M + Li]+ ions ol' arg... the relative abundances of the [a + H]+ ions. Admixing a sodium source with solid samples of amino acids did not increase the relative 10 abundance of the [a + Na]+ ions. In fact, addition of a solid amino acid decreased the relative abundance, since...

  1. Identification of protein-protein interaction and topologies in living cells by chemical cross-linking and mass spectrometry

    SciTech Connect (OSTI)

    Zhang, Haizhen; Tang, Xiaoting; Munske, Gerhard R.; Tolic, Nikola; Anderson, Gordon A.; Bruce, James E.

    2008-10-20T23:59:59.000Z

    Current chemical cross-linking methods are commonly employed for mapping sites of interaction and three-dimensional structure in purified, known protein complexes. When applied in vivo in combination of co-immunoprecipitation methods, information on the sites of interaction between proteins are unattainable due to overwhelming sample complexity. We present results from a novel cross-linking strategy that allow simultaneous protein-protein interaction and surface topology measurement in vivo without any prior knowledge of the system. The strategy consists of: (i) cross-linking reaction: intact cell labeling with protein interaction reporters (PIRs); (ii) two-stage mass spectrometric analysis: stage 1 identification of PIR-labeled proteins and construction of a restricted database by 2D-LC/MS/MS; and stage 2 analysis of PIR-labeled peptides by multiplexed LC/FTICR-MS; (iii) data analysis: identification of cross-linked peptides and proteins of origin using accurate mass and other constraints. This strategy was applied to Shewanella oneidensis MR-1 bacterial cells and successfully identified a protein-protein interaction between SecA and a small outer membrane lipoprotein as well as their sites of interaction in vivo.

  2. Identification of Protein-Protein Interactions and Topologies in Living Cells with Chemical Cross-linking and Mass Spectrometry

    SciTech Connect (OSTI)

    Zhang, Haizhen; Tang, Xiaoting; Munske, Gerhard R.; Tolic, Nikola; Anderson, Gordon A.; Bruce, James E.

    2009-03-01T23:59:59.000Z

    We present results from a novel strategy that enables concurrent identification of protein-protein interactions and topologies in living cells without specific antibodies or genetic manipulations for immuno/affinity purifications. The strategy consists of: (i) chemical cross-linking reaction: intact cell labeling with a novel class of chemical cross-linkers, protein interaction reporters (PIRs); (ii) two-stage mass spectrometric analysis: stage 1 identification of PIR-labeled proteins and construction of a restricted database by 2D-LC/MS/MS; and stage 2 analysis of PIR-labeled peptides by multiplexed LC/FTICR-MS; (iii) data analysis: identification of cross-linked peptides and proteins of origin using accurate mass and other constraints. The primary advantage of the PIR approach and distinction from current technology is that protein interactions together with topologies are detected in native biological systems by stabilizing protein complexes with new covalent bonds while the proteins are present in the original cellular environment. Thus, weak or transient interactions or interactions that require properly folded, localized, or membrane-bound proteins can be labeled and identified through the PIR approach. This strategy was applied to S. oneidensis bacterial cells and initial studies resulted in identification of a set of protein-protein interactions and their contact/binding regions. Furthermore, most identified interactions involved membrane proteins, suggesting the PIR approach is particularly suited for studies of membrane protein-protein interactions, an area under-represented with current widely-used approaches.

  3. 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

    2013-02-01T23:59:59.000Z

    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.

  4. 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.

    2006-01-01T23:59:59.000Z

    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.

  5. Design and performance of a combined secondary ion mass spectrometry-scanning probe microscopy instrument for high sensitivity and high-resolution elemental three-dimensional analysis

    SciTech Connect (OSTI)

    Wirtz, Tom; Fleming, Yves; Gerard, Mathieu [Department 'Science and Analysis of Materials' (SAM), Centre de Recherche Public, Gabriel Lippmann, 41 rue du Brill, L-4422 Belvaux (Luxembourg); Gysin, Urs; Glatzel, Thilo; Meyer, Ernst [Department of Physics, Universitaet Basel, Klingelbergstrasse 82, CH-4056 Basel (Switzerland); Wegmann, Urs [Department of Physics, Universitaet Basel, Klingelbergstrasse 82, CH-4056 Basel (Switzerland); Ferrovac GmbH, Thurgauerstr. 72, CH-8050 Zuerich (Switzerland); Maier, Urs [Ferrovac GmbH, Thurgauerstr. 72, CH-8050 Zuerich (Switzerland); Odriozola, Aitziber Herrero; Uehli, Daniel [SPECS Zurich GmbH, Technoparkstr. 1, CH-8005 Zuerich (Switzerland)

    2012-06-15T23:59:59.000Z

    State-of-the-art secondary ion mass spectrometry (SIMS) instruments allow producing 3D chemical mappings with excellent sensitivity and spatial resolution. Several important artifacts however arise from the fact that SIMS 3D mapping does not take into account the surface topography of the sample. In order to correct these artifacts, we have integrated a specially developed scanning probe microscopy (SPM) system into a commercial Cameca NanoSIMS 50 instrument. This new SPM module, which was designed as a DN200CF flange-mounted bolt-on accessory, includes a new high-precision sample stage, a scanner with a range of 100 {mu}m in x and y direction, and a dedicated SPM head which can be operated in the atomic force microscopy (AFM) and Kelvin probe force microscopy modes. Topographical information gained from AFM measurements taken before, during, and after SIMS analysis as well as the SIMS data are automatically compiled into an accurate 3D reconstruction using the software program 'SARINA,' which was developed for this first combined SIMS-SPM instrument. The achievable lateral resolutions are 6 nm in the SPM mode and 45 nm in the SIMS mode. Elemental 3D images obtained with our integrated SIMS-SPM instrument on Al/Cu and polystyrene/poly(methyl methacrylate) samples demonstrate the advantages of the combined SIMS-SPM approach.

  6. Gadolinium speciation with Tetradentate, N-donor extractants for minor actinide/lanthanide separation: an XRD, mass spectrometry and EPR study

    SciTech Connect (OSTI)

    Whittaker, D.M. [School of Chemistry, The University of Manchester, Oxford Road, Manchester, M13 9PL (United Kingdom); Sharrad, C.A. [School of Chemical Engineering and Analytical Science, The University of Manchester, Oxford Road, Manchester M13 9PL (United Kingdom); Research Centre for Radwaste and Decommissioning, Dalton Nuclear Institute, The University of Manchester, Oxford Road, Manchester M13 9PL (United Kingdom); Sproules, S. [Photon Science Institute, The University of Manchester, Oxford Road, Manchester M13 9PL (United Kingdom); WestCHEM, School of Chemistry, University of Glasgow, Glasgow G12 8QQ (United Kingdom)

    2013-07-01T23:59:59.000Z

    The hydrophobic organic molecules CyMe{sub 4}-BTPhen (1) and CyMe{sub 4}-BTBP (2) have been developed and tuned over many years to be able to separate the trivalent actinides from the trivalent lanthanides (Ln) selectively in bi-phasic solvent extraction processes for the separation of the long-lived radio-toxic minor actinides from spent nuclear fuel. The ability of these N-donor ligands to perform this separation is poorly understood, as is their speciation with the metal ions when extracted into the organic phase. Our previous work has shown Ln{sup 3+} speciation to be largely 1:2 Ln:L in nature with another small molecule, either water or nitrate, occupying a cavity between the tetradentate bound N-donor ligands. The identity of the small molecule changes across the lanthanide series, and here we continue investigations into this speciation. Complexes of these N-donor ligands with Gd{sup 3+} have been synthesised and characterised by X-ray crystallography, mass spectrometry and EPR spectroscopy. We show that the N-donor ligands have no effect on the electronic configuration of Gd{sup 3+} and that the lanthanide contraction with the steric rigidity of the N-donor ligand appears to determine the size of the cavity between the coordinated ligands. This in turn appears to control the identity of the small molecule on the ninth site in the 1:2 Gd:L species. (authors)

  7. A comparison of continuous pneumatic nebulization and flow injection-direct injection nebulization for sample introduction in inductively coupled plasma-mass spectrometry

    SciTech Connect (OSTI)

    Crain, J.S.; Kiely, J.T.

    1995-08-01T23:59:59.000Z

    Dilute nitric acid blanks and solutions containing Ni, Cd, Pb, and U (including two laboratory waste samples) were analyzed eighteen times over a two-month period using inductively coupled plasma-mass spectrometry (ICP-MS). Two different sample introduction techniques were employed: flow injection-direct injection nebulization (FI-DIN) and continuous pneumatic nebulization (CPN). Using comparable instrumental measurement procedures, FI-DIN analyses were 33% faster and generated 52% less waste than CPN analyses. Instrumental limits of detection obtained with FI-DIN and CPN were comparable but not equivalent (except in the case of Pb) because of nebulizer-related differences in sensitivity (i.e., signal per unit analyte concentration) and background. Substantial and statistically significant differences were found between FI-DIN and CPN Ni determinations, and in the case of the laboratory waste samples, there were also small but statistically significant differences between Cd determinations. These small (2 to 3%) differences were not related to polyatomic ion interference (e.g., {sup 95}Mo{sup 16}O{sup +}), but in light of the time savings and waste reduction to be realized, they should not preclude the use of FI-DIN in place of CPN for determination of Cd, Pb, U and chemically.

  8. C60 Secondary Ion Fourier Transform Ion Cyclotron Resonance Mass...

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

    C60 Secondary Ion Fourier Transform Ion Cyclotron Resonance Mass Spectrometry. C60 Secondary Ion Fourier Transform Ion Cyclotron Resonance Mass Spectrometry. Abstract: Secondary...

  9. Studies of the combustion of coal/refuse derived fuels using thermogravimetric-Fourier transform infrared-mass spectrometry

    SciTech Connect (OSTI)

    Lu, H.; Li, J.; Lloyd, W.G. [and others

    1995-08-01T23:59:59.000Z

    The materials used in this project included two bituminous coals, a medium molecular weight PVC resin, cellulose, and shredded newspaper. Analytical data for the samples are given. A TA Instruments Model 951 Thermogravimetric Analyzer (TG) interfaced to a Perkin Elmer 1650 Fourier Transform Infrared Spectrometer (FTIR) was used in this study. The horizontal quartz furnace of the TG was connected to the 10 cm gas cell of the FTIR using an insulated teflon tube heated to a temperature of 150{degrees}C. The TG was also interfaced to a VG Thermolab Mass Spectrometer (MS) using a fused silica capillary sampling tube heated to approximately 170{degrees}C. A teflon splitter divides the gases from the TG into two parts, one to the FTIR ({approximately}95%), and the other to the MS ({approximately}5%). A schematic of the TG-FTIR-MS system, is presented. In the TG experiments, all samples ({approximately}300 mg each) were heated in air (50 ML/min) at a rate of 10{degrees}C/min to 700{degrees}C. The spectra and profiles of gaseous species evolving from the TG system were recorded and analyzed by the TGA-FTIR-MS analytical system. The results of the experiments are given.

  10. Ionization chamber

    DOE Patents [OSTI]

    Walenta, Albert H. (Port Jefferson Station, NY)

    1981-01-01T23:59:59.000Z

    An ionization chamber has separate drift and detection regions electrically isolated from each other by a fine wire grid. A relatively weak electric field can be maintained in the drift region when the grid and another electrode in the chamber are connected to a high voltage source. A much stronger electric field can be provided in the detection region by connecting wire electrodes therein to another high voltage source. The detection region can thus be operated in a proportional mode when a suitable gas is contained in the chamber. High resolution output pulse waveforms are provided across a resistor connected to the detection region anode, after ionizing radiation enters the drift region and ionize the gas.

  11. Investigating Enhanced Thorium Ionization in TIMS Using Re/Pt Porous Ion Emitters

    SciTech Connect (OSTI)

    Floyd E. Stanley III; K. J. Spencer; D. S. Schwartz; M. G. Watrous; J. E. Delmore

    2014-03-01T23:59:59.000Z

    Thermal ionization mass spectrometry (TIMS) is a widely used, benchmark method in the isotopic analysis of actinides relevant to various nuclear and geological fields. Despite significant previous use and inherent advantages, however, poor sample ionization continues to hamper the use of TIMS in the measurement of trace species; actinide ionization efficiencies frequently fall below 0.1 % using traditional instrument sources. Factors leading to poor ionization are compounded in the measurement of several highly refractory metals (e.g. U and Th) that may provide key signatures data in non-proliferation, safeguards and forensics efforts. Herein, a relatively new TIMS ion source strategy, employing porous ion emitters (PIEs) atop traditional filament assemblies, is investigated for the first time as a straightforward means of enhancing the ionization of Th, which is arguably a worst case scenario for TIMS-based actinide measurements. These sources yielded up to 410% greater Th sample utilization, relative to previously published values and in-house measurements collected using traditional methods. Accompanying scanning electron microscopy (SEM) investigations provide preliminary insight into possible mechanisms of PIE functioning and explore the impacts that extended heating have on the constructed source’s structure and composition.

  12. 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.

    2013-10-15T23:59:59.000Z

    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.

  13. 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

    2009-07-01T23:59:59.000Z

    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.

  14. 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

    2009-10-12T23:59:59.000Z

    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.

  15. Achieving 50% ionization efficiency in sub-ambient pressure ionization...

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

    50% ionization efficiency in sub-ambient pressure ionization with nanoelectrospray. Achieving 50% ionization efficiency in sub-ambient pressure ionization with nanoelectrospray....

  16. Improved ion optics for introduction of ions into a 9.4-T Fourier transform ion cyclotron resonance mass spectrometer

    SciTech Connect (OSTI)

    Chen, Yu; Leach, Franklin E.; Kaiser, Nathan K.; Dang, Xibei; Ibrahim, Yehia M.; Norheim, Randolph V.; Anderson, Gordon A.; Smith, Richard D.; Marshall, Alan G.

    2015-01-01T23:59:59.000Z

    Fourier transform ion cyclotron resonance (FT-ICR) mass spectrometry provides unparalleled mass accuracy and resolving power.[1],[2] With electrospray ionization (ESI), ions are typically transferred into the mass spectrometer through a skimmer, which serves as a conductance-limiting orifice. However, the skimmer allows only a small fraction of incoming ions to enter the mass spectrometer. An ion funnel, originally developed by Smith and coworkers at Pacific Northwest National Laboratory (PNNL)[3-5] provides much more efficient ion focusing and transfer. The large entrance aperture of the ion funnel allows almost all ions emanating from a heated capillary to be efficiently captured and transferred, resulting in nearly lossless transmission.

  17. Direct evidence of a strong isomer effect in electron-impact double ionization of C{sub 3}H{sub 4}

    SciTech Connect (OSTI)

    Scully, S.W.J.; Senthil, V.; Wyer, J.A.; Shah, M.B.; Montenegro, E.C.; Kimura, M.; Tawara, H. [Department of Physics and Astronomy, Queen's University Belfast, Belfast BT7 1NN (United Kingdom); Department of Chemistry, Graduate School of Science, Kyushu University, Hakozaki, Fukuoka 812-8581 (Japan); Max Planck Institute of Nuclear Physics, Saupfercheckweg 1, D-69117 Heidelberg (Germany)

    2005-09-15T23:59:59.000Z

    The electron-impact double ionization of two isomers of C{sub 3}H{sub 4} (allene and propyne) between 25 and 1000 eV has been investigated using time-of-flight mass spectrometry. Unambiguous differences in the partial double-ionization spectra of these isomers are observed over the entire energy range. These isomer effects have been observed in C{sub 3}H{sub 4} through the recording of target product channels and, in particular, when hard collisions involving the transfer of a large amount of energy is involved. Measurements of double-ionization events which fragment through Coulomb explosion are also reported. Coincidences between the charged fragment ions and protons were measured and shown to only exhibit isomer effects in the channel involving production of H{sup +}+CH{sub 2}{sup +}.

  18. Calculation of Transactinide Homolog Isotope Production Reactions Possible with the Center for Accelerator Mass Spectrometry (CAMS) at Lawrence Livermore National Laboratory

    SciTech Connect (OSTI)

    Moody, K J; Shaughnessy, D A; Gostic, J M

    2011-11-29T23:59:59.000Z

    The LLNL heavy element group has been investigating the chemical properties of the heaviest elements over the past several years. The properties of the transactinides (elements with Z > 103) are often unknown due to their low production rates and short half-lives, which require lengthy cyclotron irradiations in order to make enough atoms for statistically significant evaluations of their chemistry. In addition, automated chemical methods are often required to perform consistent and rapid chemical separations on the order of minutes for the duration of the experiment, which can last from weeks to months. Separation methods can include extraction chromatography, liquid-liquid extraction, or gas-phase chromatography. Before a lengthy transactinide experiment can be performed at an accelerator, a large amount of preparatory work must be done both to ensure the successful application of the chosen chemical system to the transactinide chemistry problem being addressed, and to evaluate the behavior of the lighter elemental homologs in the same chemical system. Since transactinide chemistry is literally performed on one single atom, its chemical properties cannot be determined from bulk chemical matrices, but instead must be inferred from the behavior of the lighter elements that occur in its chemical group and in those of its neighboring elements. By first studying the lighter group homologs in a particular chemical system, when the same system is applied to the transactinide element under investigation, its decay properties can be directly compared to those of the homologues, thereby allowing an inference of its own chemistry. The Center for Accelerator Mass Spectrometry (CAMS) at Lawrence Livermore National Laboratory (LLNL) includes a 1 MV Tandem accelerator, capable of accelerating light ions such as protons to energies of roughly 15 MeV. By using the CAMS beamline, tracers of transactinide homolog elements can be produced both for development of chemical systems and for evaluation of homolog chemical properties. CAMS also offers an environment for testing these systems 'online' by incorporating automated chemical systems into the beamline so that tracers can be created, transported, and chemically separated all on the shorter timescales required for transactinide experiments. Even though CAMS is limited in the types and energies of ions they can accelerate, there are still a wide variety of reactions that can be performed there with commercially available target materials. The half-lives of these isotopes vary over a range that could be used for both online chemistry (where shorter half-lives are required) and benchtop tracers studies (where longer lived isotopes are preferred). In this document, they present a summary of tracer production reactions that could be performed at CAMS, specifically for online, automated chemical studies. They are from chemical groups four through seven, 13, and 14, which would be appropriate for studies of elements 104-107, 113, and 114. Reactions were selected that had (a) commercially available target material, (b) half-lives long enough for transport from a target chamber to an automated chemistry system, and (c) cross-sections at CAMS available projectile energies that were large enough to produce enough atoms to result in a statistically relevant signal after losses for transport and chemistry were considered. In addition, the resulting product atoms had to decay with an observable gamma-ray using standard Ge gamma-ray detectors. The table includes calculations performed for both metal targets and their corresponding oxides.

  19. Langmuir probe measurements and mass spectrometry of plasma plumes generated by laser ablation of La{sub 0.4}Ca{sub 0.6}MnO{sub 3}

    SciTech Connect (OSTI)

    Chen, Jikun; Lippert, Thomas, E-mail: Thomas.lippert@psi.ch; Ojeda-G-P, Alejandro; Stender, Dieter; Schneider, Christof W.; Wokaun, Alexander [Department of General Energy Research, Paul Scherrer Institut, 5232 Villigen PSI (Switzerland); Lunney, James G. [School of Physics and CRANN, Trinity College, Dublin 2 (Ireland)

    2014-08-21T23:59:59.000Z

    The plasma formed in vacuum by UV nanosecond laser ablation of La{sub 0.4}Ca{sub 0.6}MnO{sub 3} in the fluence range of 0.8 to 1.9?J cm{sup ?2} using both Langmuir probe analysis and energy-resolved mass spectrometry has been studied. Mass spectrometry shows that the main positive ion species are Ca{sup +}, Mn{sup +}, La{sup +}, and LaO{sup +}. The Ca{sup +} and Mn{sup +} energy distributions are quite broad and lie in the 0–100?eV region, with the average energies increasing with laser fluence. In contrast, the La{sup +} and LaO{sup +} distributions are strongly peaked around 10?eV. The net time-of-arrival signal derived from the measured positive ion energy distributions is broadly consistent with the positive ion signal measured by the Langmuir probe. We also detected a significant number of O{sup ?} ions with energies in the range of 0 to 10?eV. The Langmuir probe was also used to measure the temporal variation of the electron density and temperature at 6?cm from the ablation target. In the period when O{sup ?} ions are found at this position, the plasma conditions are consistent with those required for significant negative oxygen ion formation, as revealed by studies on radio frequency excited oxygen plasma.

  20. Atmospheric sampling glow discharge ionization source

    DOE Patents [OSTI]

    McLuckey, S.A.; Glish, G.L.

    1989-07-18T23:59:59.000Z

    An atmospheric sampling glow discharge ionization source that can be used in combination with an analytical instrument which operates at high vacuum, such as a mass spectrometer. The atmospheric sampling glow discharge ionization source comprises a chamber with at least one pair of electrodes disposed therein, an inlet for a gaseous sample to be analyzed and an outlet communicating with an analyzer which operates at subatmospheric pressure. The ionization chamber is maintained at a pressure below atmospheric pressure, and a voltage difference is applied across the electrodes to induce a glow discharge between the electrodes, so that molecules passing through the inlet are ionized by the glow discharge and directed into the analyzer. The ionization source accepts the sample under atmospheric pressure conditions and processes it directly into the high vacuum instrument, bridging the pressure gap and drawing off unwanted atmospheric gases. The invention also includes a method for analyzing a gaseous sample using the glow discharge ionization source described above. 3 figs.

  1. atmospheric pressure ionization: Topics by E-print Network

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

    for Atmospheric Pressure, in Vivo, and Imaging Mass. For example, atmospheric pressure infrared MALDI (AP IR-MALDI), capable of producing ions from small ionization (DESI),5...

  2. Role of Photoexcitation and Field Ionization in the Measurement...

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

    and Field Ionization in the Measurement of Accurate Oxide Stoichiometry by Laser-Assisted Atom Probe Abstract: Pulsed lasers extend the high spatial and mass...

  3. EMSL - Mass Spectrometer

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

    MS) with high mass resolution (m&61636;m100,000). Solvent mixtures of acetonitrilewater and acetonitriletoluene were used to extract and ionize polar and non-polar...

  4. 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.

    2008-07-01T23:59:59.000Z

    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.

  5. Utility of spatially-resolved atmospheric pressure surface sampling and ionization techniques as alternatives to mass spectrometric imaging (MSI) in drug metabolism

    SciTech Connect (OSTI)

    Blatherwick, Eleanor Q. [University of Warwick, UK; Van Berkel, Gary J [ORNL; Pickup, Kathryn [AstraZeneca R& D Sweden; Johansson, Maria K. [AstraZeneca R& D Sweden; Beaudoin, Marie-Eve [AstraZeneca, USA; Cole, Roderic [ORNL; Day, Jennifer M. [AstraZeneca R& D, UK; Iverson, Suzanne [AstraZeneca R& D Sweden; Wilson, Ian D. [AstraZeneca R& D, UK; Scrivens, James H. [University of Warwick, UK; Weston, Daniel J. [AstraZeneca R& D, UK

    2011-01-01T23:59:59.000Z

    1. Tissue distribution studies of drug molecules play an essential role in the pharmaceutical industry and are commonly undertaken using quantitative whole body autoradiography (QWBA) methods. 2. The growing need for complementary methods to address some scientific gaps around radiography methods has led to increased use of mass spectrometric imaging (MSI) technology over the last 5 to 10 years. More recently, the development of novel mass spectrometric techniques for ambient surface sampling has redefined what can be regarded as fit-for-purpose for MSI in a drug metabolism and disposition arena. 3. Together with a review of these novel alternatives, this paper details the use of two liquid microjunction (LMJ)- based mass spectrometric surface sampling technologies. These approaches are used to provide qualitative determination of parent drug in rat liver tissue slices using liquid extraction surface analysis (LESA) and to assess the performance of a LMJ surface sampling probe (LMJ-SSP) interface for quantitative assessment of parent drug in brain, liver and muscle tissue slices. 4. An assessment of the utility of these spatially-resolved sampling methods is given, showing interdependence between mass spectrometric and QWBA methods, in particular there emerges a reason to question typical MSI workflows for drug metabolism; suggesting the expedient use of profile or region analysis may be more appropriate, rather than generating time-intensive molecular images of the entire tissue section.

  6. High Mass Accuracy and High Mass Resolving Power FT-ICR Secondary...

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

    High Mass Accuracy and High Mass Resolving Power FT-ICR Secondary Ion Mass Spectrometry for Biological Tissue Imaging. High Mass Accuracy and High Mass Resolving Power FT-ICR...

  7. 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 ...

  8. 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

    SciTech Connect (OSTI)

    Aiken, Allison; Salcedo, D.; Cubison, Michael J.; Huffman, J.; DeCarlo, Peter; Ulbrich, Ingrid M.; Docherty, Kenneth S.; Sueper, D. T.; Kimmel, Joel; Worsnop, Douglas R.; Trimborn, Achim; Northway, Megan; Stone, Elizabeth A.; Schauer, James J.; Volkamer, Rainer M.; Fortner, Edward; de Foy, B.; Wang, Jian; Laskin, Alexander; Shutthanandan, V.; Zheng, Junsheng; Zhang, Renyi; Gaffney, Jeffrey S.; Marley, Nancy A.; Paredes-Miranda, Guadalupe L.; Arnott, W. P.; Molina, Luisa T.; Sosa, G.; Jimenez, Jose L.

    2009-09-11T23:59:59.000Z

    Submicron aerosol was analyzed during the MILAGRO field campaign in March 2006 at the T0 urban supersite in Mexico City with a High-Resolution Time-of-Flight Aerosol Mass Spectrometer (HR-ToF-AMS) and complementary instrumentation. Mass concentrations, diurnal cycles, and size distributions of inorganic and organic species are similar to results from the CENICA supersite in April 2003 with organic aerosol (OA) comprising about half of the fine PM mass. Positive Matrix Factorization (PMF) analysis of the high resolution OA spectra identifies three major components: chemically-reduced urban primary emissions (hydrocarbon-like OA, HOA), oxygenated OA (OOA, mostly secondary OA or SOA), and biomass burning OA (BBOA) that correlates with levoglucosan and acetonitrile. BBOA includes several very large plumes from regional fires and likely also some refuse burning.

  9. 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.

    , likely exceeding reserves of conventional oil and gas (Collett and Kuuskraa, 1998). In deep-ocean regionsNew constraints on methane fluxes and rates of anaerobic methane oxidation in a Gulf of Mexico Keywords: Methane flux Mass spectrometer Brine pool Methane oxidation Gulf of Mexico a b s t r a c t Deep

  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

    SciTech Connect (OSTI)

    Aiken, A.C.; Wang, J.; Salcedo, D.; Cubison, M. J.; Huffman, J. A.; DeCarlo, P. F.; Ulbrich, I. M.; Docherty, K. S.; Sueper, D.; Kimmel, J. R.; Worsnop, D. R.; Trimborn, A.; Northway, M.; Stone, E. A.; Schauer, J. J.; Volkamer, R. M.; Fortner, E.; de Foy, B.; Laskin, A.; Shutthanandan, V.; Zheng, J.; Zhang, R.; Gaffney, J.; Marley, N. A.; Paredes-Miranda, G.; Arnott, W. P.; Molina, L. T.; Sosa, G.; Jimenez, J. L.

    2009-09-01T23:59:59.000Z

    Submicron aerosol was analyzed during the MILAGRO field campaign in March 2006 at the T0 urban supersite in Mexico City with a High-Resolution Time-of-Flight Aerosol Mass Spectrometer (HR-ToF-AMS) and complementary instrumentation. Mass concentrations, diurnal cycles, and size distributions of inorganic and organic species are similar to results from the CENICA supersite in April 2003 with organic aerosol (OA) comprising about half of the fine PM mass. Positive Matrix Factorization (PMF) analysis of the high resolution OA spectra identified three major components: chemically-reduced urban primary emissions (hydrocarbon-like OA, HOA), oxygenated OA (OOA, mostly secondary OA or SOA), and biomass burning OA (BBOA) that correlates with levoglucosan and acetonitrile. BBOA includes several very large plumes from regional fires and likely also some refuse burning. A fourth OA component is a small local nitrogen-containing reduced OA component (LOA) which accounts for 9% of the OA mass but one third of the organic nitrogen, likely as amines. OOA accounts for almost half of the OA on average, consistent with previous observations. OA apportionment results from PMF-AMS are compared to the PM{sub 2.5} chemical mass balance of organic molecular markers (CMB-OMM, from GC/MS analysis of filters). Results from both methods are overall consistent. Both assign the major components of OA to primary urban, biomass burning/woodsmoke, and secondary sources at similar magnitudes. The 2006 Mexico City emissions inventory underestimates the urban primary PM{sub 2.5} emissions by a factor of {approx}4, and it is {approx}16 times lower than afternoon concentrations when secondary species are included. Additionally, the forest fire contribution is at least an order-of-magnitude larger than in the inventory.

  11. LipidMiner: A Software for Automated Identification and Quantification of Lipids from Multiple Liquid Chromatography-Mass Spectrometry Data Files

    SciTech Connect (OSTI)

    Meng, Da; Zhang, Qibin; Gao, Xiaoli; Wu, Si; Lin, Guang

    2014-04-30T23:59:59.000Z

    We have developed a tool for automated, high-throughput analysis of LC-MS/MS data files, which greatly simplifies LC-MS based lipidomics analysis. Our results showed that LipidMiner is accurate and comprehensive in identification and quantification of lipid molecular species. In addition, the workflow implemented in LipidMiner is not limited to identification and quantification of lipids. If a suitable metabolite library is implemented in the library matching module, LipidMiner could be reconfigured as a tool for general metabolomics data analysis. It is of note that LipidMiner currently is limited to singly charged ions, although it is adequate for the purpose of lipidomics since lipids are rarely multiply charged,[14] even for the polyphosphoinositides. LipidMiner also only processes file formats generated from mass spectrometers from Thermo, i.e. the .RAW format. In the future, we are planning to accommodate file formats generated by mass spectrometers from other predominant instrument vendors to make this tool more universal.

  12. (Ionization in liquids)

    SciTech Connect (OSTI)

    Not Available

    1991-01-01T23:59:59.000Z

    This document describes charge transport following ionization of model liquids and how this process may be important in carcinogenesis. 15 refs., 2 figs., 4 tabs. (MHB)

  13. Radionuclide content of simulated and fully radioactive SRLLL waste gl;asses: comparison of results from ICP-MS, gamma spectrometry and alpha spectrometry

    SciTech Connect (OSTI)

    Wolf, S.F.; Bates, J.K.

    1995-12-31T23:59:59.000Z

    We have measured the transuranic content of two transuranic=doped, simulated waste glasses, using inductively coupled plasma-mass spectrometry (ICP-MS), {gamma}-spectrometry, and {alpha}-spectrometry. Average concentrations measured by each technique were within {+-} 10% of the as-doped concentrations. We also report the transuranic content of three fully radioactive SRL waste glasses that were determined using {gamma}- and {alpha}-spectrometry measurements to deconvolute isobaric interferences present in the ICP-MS analyses.

  14. Accurate determination of Curium and Californium isotopic ratios by inductively coupled plasma quadrupole mass spectrometry (ICP-QMS) in 248Cm samples for transmutation studies

    SciTech Connect (OSTI)

    Gourgiotis, A.; Isnard, H.; Aubert, M.; Dupont, E.; AlMahamid, I.; Cassette, P.; Panebianco, S.; Letourneau, A.; Chartier, F.; Tian, G.; Rao, L.; Lukens, W.

    2011-02-01T23:59:59.000Z

    The French Atomic Energy Commission has carried out several experiments including the mini-INCA (INcineration of Actinides) project for the study of minor-actinide transmutation processes in high intensity thermal neutron fluxes, in view of proposing solutions to reduce the radiotoxicity of long-lived nuclear wastes. In this context, a Cm sample enriched in {sup 248}Cm ({approx}97 %) was irradiated in thermal neutron flux at the High Flux Reactor (HFR) of the Laue-Langevin Institute (ILL). This work describes a quadrupole ICP-MS (ICP-QMS) analytical procedure for precise and accurate isotopic composition determination of Cm before sample irradiation and of Cm and Cf after sample irradiation. The factors that affect the accuracy and reproducibility of isotopic ratio measurements by ICP-QMS, such as peak centre correction, detector dead time, mass bias, abundance sensitivity and hydrides formation, instrumental background, and memory blank were carefully evaluated and corrected. Uncertainties of the isotopic ratios, taking into account internal precision of isotope ratio measurements, peak tailing, and hydrides formations ranged from 0.3% to 1.3%. This uncertainties range is quite acceptable for the nuclear data to be used in transmutation studies.

  15. ablation-absorption ratio spectrometry: Topics by E-print Network

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

    isotopes 2 A gas chromatographypyrolysisisotope ratio mass spectrometry system for high-precision dD measurements Environmental Sciences and Ecology Websites Summary: of...

  16. Nuclear Masses in Astrophysics

    E-Print Network [OSTI]

    Christine Weber; Klaus Blaum; Hendrik Schatz

    2008-12-09T23:59:59.000Z

    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.

  17. A surface ionization source 

    E-Print Network [OSTI]

    Buzatu, Daniel J.

    1995-01-01T23:59:59.000Z

    The main part of the work described herein is the development and testing of a surface ionization source for use on a collinear fast beam laser spectroscopy apparatus. A description of the previously existing fast beam apparatus is given...

  18. A surface ionization source

    E-Print Network [OSTI]

    Buzatu, Daniel J.

    1995-01-01T23:59:59.000Z

    The main part of the work described herein is the development and testing of a surface ionization source for use on a collinear fast beam laser spectroscopy apparatus. A description of the previously existing fast beam apparatus is given...

  19. Ultra High Mass Range Mass Spectrometer System

    DOE Patents [OSTI]

    Reilly, Peter T. A. [Knoxville, TN

    2005-12-06T23:59:59.000Z

    Applicant's present invention comprises mass spectrometer systems that operate in a mass range from 1 to 10.sup.16 DA. The mass spectrometer system comprising an inlet system comprising an aerodynamic lens system, a reverse jet being a gas flux generated in an annulus moving in a reverse direction and a multipole ion guide; a digital ion trap; and a thermal vaporization/ionization detector system. Applicant's present invention further comprises a quadrupole mass spectrometer system comprising an inlet system having a quadrupole mass filter and a thermal vaporization/ionization detector system. Applicant's present invention further comprises an inlet system for use with a mass spectrometer system, a method for slowing energetic particles using an inlet system. Applicant's present invention also comprises a detector device and a method for detecting high mass charged particles.

  20. Gas-Phase Synthesis of Singly and Multiply Charged Polyoxovanadate Anions Employing Electrospray Ionization and Collision Induced Dissociation

    SciTech Connect (OSTI)

    Al Hasan, Naila M.; Johnson, Grant E.; Laskin, Julia

    2013-09-01T23:59:59.000Z

    Electrospray ionization mass spectrometry (ESI-MS) combined with in-source fragmentation and tandem mass spectrometry (MS/MS) experiments were used to generate a wide range of multiply charged vanadium oxide cluster anions including VxOyn- and VxOyCln- ions (x = 1 ? 14, y= 2 ? 36, n = 1 ? 3), protonated clusters, and ligand-bound VxOyn- species. These cluster anions were produced by electrospraying a solution of tetradecavanadate, V14O36Cl(L)5 (L= Et4N+, tetraethylammonium), in acetonitrile. Under mild source conditions, ESI-MS generates a distribution of doubly and triply charged VxOyCln- and VxOyCl(L)(n-1)- clusters predominantly containing 14 vanadium atoms. Accurate mass measurement using high-resolution mass spectrometry (m/?m = 60,000 at m/z 410) enabled unambiguous assignment of the elemental composition of the majority of peaks in the ESI-MS spectrum. In addition, high-sensitivity mass spectrometry allowed the charge state of the cluster ions to be assigned based on the separation of the major from the minor isotope of vanadium. In-source fragmentation resulted in facile formation of smaller VxOyCl(1-2)- and VxOy(1-2)- anions. Collision-induced dissociation (CID) experiments enabled systematic study of the gas-phase fragmentation pathways of the cluster anions generated from solution. Surprisingly simple fragmentation patterns were obtained for all singly and doubly charged VxOyCl and VxOy species generated through multiple MS/MS experiments. In contrast, cluster ions originating directly from solution produced comparatively complex CID spectra. These results indicate that low-energy CID results in formation of stable cage-like structures of VxOyCl and VxOy anions. Furthermore, solution-phase synthesis of one precursor cluster combined with gas-phase CID is an efficient approach for the top-down synthesis of a wide range of multiply charged gas-phase metal oxide clusters for subsequent investigations of structure and reactivity.

  1. Mapping Molecular Space with Mass Spectrometry /

    E-Print Network [OSTI]

    Nguyen, Don Duy

    2013-01-01T23:59:59.000Z

    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

  2. MASS SPECTROMETRY WITH A VERY SMALL CYCLOTRON

    E-Print Network [OSTI]

    Muller, R.A.

    2010-01-01T23:59:59.000Z

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

  3. Signatures for Mass Spectrometry Data Quality. | EMSL

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

    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...

  4. Mass spectrometry in biomarker applications: from untargeted...

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

    new biomarkers; however, the success of these endeavors to date have been quite modest ? essentially confined to preclinical applications ? and have often...

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

    E-Print Network [OSTI]

    McIntire, Thomas Shane

    1991-01-01T23:59:59.000Z

    FIGURE PAGE 14. SIMION model of the MCP/SCT start detector showing trajectories of 10 eV secondary electrons ejected from the 'Cf source (at +10 kV) and having trajectories of 0, 30, 60, -30, and -60 degrees and traveling towards the MCP held at +10...

  6. PHOTOIONIZED TOF MASS SPECTROMETRY OF ATOMIC CLUSTERS

    E-Print Network [OSTI]

    Maruyama, Shigeo

    for sev eral cluster sou rce nozzle condition s. Heliu m gas pressu re at the tim e of v aporization of solid m aterial played the key role in cluster size range obtain ed. Th e effect of pressu re was thorou

  7. Aerosol mass spectrometry systems and methods

    DOE Patents [OSTI]

    Fergenson, David P.; Gard, Eric E.

    2013-08-20T23:59:59.000Z

    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.

  8. Mass spectrometry with a very small cyclotron

    SciTech Connect (OSTI)

    Muller, R.A.; Tans, P.P.; Mast, T.S.; Welch, J.J.

    1981-05-01T23:59:59.000Z

    It is proposed that direct detection of natural radioisotopes can be accomplished by using a very low energy (20 to 100 keV) cyclotron accelerating negative ions.

  9. Mapping Molecular Space with Mass Spectrometry /

    E-Print Network [OSTI]

    Nguyen, Don Duy

    2013-01-01T23:59:59.000Z

    L & Owende P (2010) Biofuels from microalgae—A review of2009) Microalgae as a raw material for biofuels production.microalgae. Current research aims to produce traditional biofuels

  10. Application of Electron Transfer Dissociation Mass Spectrometry...

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

    glycation of peptides and proteins by D-glucose has important implications in diabetes mellitus research, particularly in the context of development of diabetic...

  11. Mapping Molecular Space with Mass Spectrometry /

    E-Print Network [OSTI]

    Nguyen, Don Duy

    2013-01-01T23:59:59.000Z

    microalgae. Current research aims to produce traditional biofuels from algae, but their potential to generate sustainable energy

  12. Electrospray Mass Spectrometry | The Ames Laboratory

    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: Alternative1 First Use of Energy for All Purposes (Fuel and Nonfuel), 2002; Level: National5Sales for4,645U.S. DOEThe Bonneville Power AdministrationField Campaign:INEAWater UseC SupportsElectronic structure of

  13. 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: Alternative1 First Use of Energy for All Purposes (Fuel and Nonfuel), 2002; Level: National5Sales for4,645 3,625 1,006 492 742EnergyOnItem NotEnergy, science,SpeedingWu,IntelligenceYou are here Western PagesPagesWhy the

  14. High-Compression-Ratio; Atkinson-Cycle Engine Using Low-Pressure Direct Injection and Pneumatic-Electronic Valve Actuation Enabled by Ionization Current and Foward-Backward Mass Air Flow Sensor Feedback

    SciTech Connect (OSTI)

    Harold Schock; Farhad Jaberi; Ahmed Naguib; Guoming Zhu; David Hung

    2007-12-31T23:59:59.000Z

    This report describes the work completed over a two and one half year effort sponsored by the US Department of Energy. The goal was to demonstrate the technology needed to produce a highly efficient engine enabled by several technologies which were to be developed in the course of the work. The technologies included: (1) A low-pressure direct injection system; (2) A mass air flow sensor which would measure the net airflow into the engine on a per cycle basis; (3) A feedback control system enabled by measuring ionization current signals from the spark plug gap; and (4) An infinitely variable cam actuation system based on a pneumatic-hydraulic valve actuation These developments were supplemented by the use of advanced large eddy simulations as well as evaluations of fuel air mixing using the KIVA and WAVE models. The simulations were accompanied by experimental verification when possible. In this effort a solid base has been established for continued development of the advanced engine concepts originally proposed. Due to problems with the valve actuation system a complete demonstration of the engine concept originally proposed was not possible. Some of the highlights that were accomplished during this effort are: (1) A forward-backward mass air flow sensor has been developed and a patent application for the device has been submitted. We are optimistic that this technology will have a particular application in variable valve timing direct injection systems for IC engines. (2) The biggest effort on this project has involved the development of the pneumatic-hydraulic valve actuation system. This system was originally purchased from Cargine, a Swedish supplier and is in the development stage. To date we have not been able to use the actuators to control the exhaust valves, although the actuators have been successfully employed to control the intake valves. The reason for this is the additional complication associated with variable back pressure on the exhaust valves when they are opened. As a result of this effort, we have devised a new design and have filed for a patent on a method of control which is believed to overcome this problem. The engine we have been working with originally had a single camshaft which controlled both the intake and exhaust valves. Single cycle lift and timing control was demonstrated with this system. (3) Large eddy simulations and KIVA based simulations were used in conjunction with flow visualizations in an optical engine to study fuel air mixing. During this effort we have devised a metric for quantifying fuel distribution and it is described in several of our papers. (4) A control system has been developed to enable us to test the benefits of the various technologies. This system used is based on Opal-RT hardware and is being used in a current DOE sponsored program.

  15. Charge Retention by Gold Clusters on Surfaces Prepared Using Soft Landing of Mass Selected Ions

    SciTech Connect (OSTI)

    Johnson, Grant E.; Priest, Thomas A.; Laskin, Julia

    2012-01-24T23:59:59.000Z

    Monodisperse gold clusters have been prepared on surfaces in different charge states through soft landing of mass-selected ions. Ligand-stabilized gold clusters were prepared in methanol solution by reduction of chloro(triphenylphosphine)gold(I) with borane tert-butylamine complex in the presence of 1,3-bis(diphenylphosphino)propane. Electrospray ionization was used to introduce the clusters into the gas-phase and mass-selection was employed to isolate a single ionic cluster species (Au11L53+, L = 1,3-bis(diphenylphosphino)propane) which was delivered to surfaces at well controlled kinetic energies. Using in-situ time of flight secondary ion mass spectrometry (TOF-SIMS) it is demonstrated that the Au11L53+ cluster retains its 3+ charge state when soft landed onto the surface of a 1H,1H,2H,2H-

  16. Alkali ionization detector

    DOE Patents [OSTI]

    Hrizo, John (Monroeville, PA); Bauerle, James E. (Plum Borough, PA); Witkowski, Robert E. (West Mifflin, PA)

    1982-01-01T23:59:59.000Z

    A calibration filament containing a sodium-bearing compound is included in combination with the sensing filament and ion collector plate of a sodium ionization detector to permit periodic generation of sodium atoms for the in-situ calibration of the detector.

  17. Spatially-Resolved Analysis of Glycolipids and Metabolites in Living Synechococcus sp. PCC7002 Using Nanospray Desorption Electrospray Ionization

    SciTech Connect (OSTI)

    Lanekoff, Ingela T.; Geydebrekht, Oleg V.; Pinchuk, Grigoriy E.; Konopka, Allan; Laskin, Julia

    2013-04-07T23:59:59.000Z

    Microorganisms release a diversity of organic compounds that couple interspecies metabolism, enable communication, or provide benefits to other microbes. Increased knowledge of microbial metabolite production will contribute to understanding of the dynamic microbial world and can potentially lead to new developments in drug discovery, biofuel production, and clinical research. Nanospray desorption electrospray ionization (nano-DESI) is an ambient ionization technique that enables detailed chemical characterization of molecules from a specific location on a surface without special sample pretreatment. Due to its ambient nature, living bacterial colonies growing on agar plates can be rapidly and non-destructively analyzed. We performed spatially resolved nano-DESI analysis of living Synechococcus sp. PCC 7002 colonies on agar plates. We use high resolution mass spectrometry and MS/MS analysis of the living Synechococcus sp. PCC 7002 colonies to detect metabolites and lipids, and confirm their identities. We found that despite the high salt content of the agar (osmolarity ca. 700 mM), nano-DESI analysis enables detailed characterization of metabolites produced by the colony. Using this technique, we identified several glycolipids found on the living colonies and examined the effect of the age of the colony on the chemical gradient of glucosylglycerol secreted onto agar.

  18. The multiphoton ionization of uranium hexafluoride

    SciTech Connect (OSTI)

    Armstrong, D.P. (Oak Ridge K-25 Site, TN (United States). UEO Enrichment Technical Operations Div.)

    1992-05-01T23:59:59.000Z

    Multiphoton ionization (MPI) time-of-flight mass spectroscopy and photoelectron spectroscopy studies of UF{sub 6} have been conducted using focused light from the Nd:YAG laser fundamental ({lambda}=1064 nm) and its harmonics ({lambda}=532, 355, or 266 nm), as well as other wavelengths provided by a tunable dye laser. The MPI mass spectra are dominated by the singly and multiply charged uranium ions rather than by the UF{sub x}{sup +} fragment ions even at the lowest laser power densities at which signal could be detected. The laser power dependence of U{sup n+} ions signals indicates that saturation can occur for many of the steps required for their ionization. In general, the doubly-charged uranium ion (U{sup 2+}) intensity is much greater than that of the singly-charged uranium ion (U{sup +}). For the case of the tunable dye laser experiments, the U{sup n+} (n = 1- 4) wavelength dependence is relatively unstructured and does not show observable resonance enhancement at known atomic uranium excitation wavelengths. The dominance of the U{sup 2+} ion and the absence or very small intensities of UF{sub x}{sup +} fragments, along with the unsaturated wavelength dependence, indicate that mechanisms may exist other than ionization of bare U atoms after the stepwise photodissociation of F atoms from the parent molecule.

  19. adrenal mass characterization: Topics by E-print Network

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

    that the origin 7 Characterizing Oligosaccharides Using Injected-Ion MobilityMass Spectrometry Chemistry Websites Summary: Characterizing Oligosaccharides Using Injected-Ion...

  20. accelerator mass spectrometer: Topics by E-print Network

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

    sensitive detector Osborne, David L. 2009-01-01 9 RAPID COMMUNICATIONS IN MASS SPECTROMETRY, VOL. 9, 1141-1147 (1995) New Matrices and Accelerating Voltage Effects Chemistry...

  1. Plasma Production via Field Ionization

    SciTech Connect (OSTI)

    O'Connell, C.L.; Barnes, C.D.; Decker, F.; Hogan, M.J.; Iverson, R.; Krejcik, P.; Siemann, R.; Walz, D.R.; /SLAC; Clayton, C.E.; Huang, C.; Johnson, D.K.; Joshi, C.; Lu,; Marsh, K.A.; Mori, W.; Zhou, M.; /UCLA; Deng, S.; Katsouleas, T.; Muggli, P.; Oz, E.; /Southern California U.

    2007-01-02T23:59:59.000Z

    Plasma production via field ionization occurs when an incoming particle beam is sufficiently dense that the electric field associated with the beam ionizes a neutral vapor or gas. Experiments conducted at the Stanford Linear Accelerator Center explore the threshold conditions necessary to induce field ionization by an electron beam in a neutral lithium vapor. By independently varying the transverse beam size, number of electrons per bunch or bunch length, the radial component of the electric field is controlled to be above or below the threshold for field ionization. Additional experiments ionized neutral xenon and neutral nitric oxide by varying the incoming beam's bunch length. A self-ionized plasma is an essential step for the viability of plasma-based accelerators for future high-energy experiments.

  2. Investigation of high temperature gaseous species by Knudsen cell mass spectrometry above the condensed systems Cu-Y-Ru-C, Ag-Y-Ru-C, and Au-Y- Ru-C

    E-Print Network [OSTI]

    Wilhite, Dale Wayne

    1988-01-01T23:59:59.000Z

    of the total ion intensities listed in Tables 2 through 5, + + except those for RuC and YC2, were calculated by dividing the individual isotopic species by the isotopic abundance of that species according to Equation 1, where I is the total intensity of all... not be used because their mass to charge ratios overlap. For these iona, an + algebraic equation was used which compared the ratios of YC (Mass 113), YC2 (Mass 114), RuC (Mass 113), and RuC (Mass 114). The + + + calculated isotopic abundances...

  3. JOURNAL DE PHYSIQUE Colloque C 2, supplkment au no 3-4, Tome 28, mars-avril1967, page C 2 -87 RAPID SCANNING FOURIER TRANSFORM SPECTROMETRY

    E-Print Network [OSTI]

    Paris-Sud XI, Université de

    scanning serves to mitigate the problems of scintillation and dynamic range for Fourier spectrometry. Scintillation noise due to atmospheric turbulence can easily relegate astronomical spectrometry to the last RAPID SCANNING FOURIER TRANSFORM SPECTROMETRY Block Associates, Inc., Cambridge, Mass., U. S. A. Rksumk

  4. I. IONIZATION COOLING A. Introduction

    E-Print Network [OSTI]

    McDonald, Kirk

    ionization cooling techniques to reduce the 6­dimensional phase space emittance. B. Cooling TheoryI. IONIZATION COOLING A. Introduction The muon beam at the end of the decay channel is very intense for beam cooling. Cooling by synchrotron radiation, conventional stochastic cooling and conventional

  5. Amorphous silicon ionizing particle detectors

    DOE Patents [OSTI]

    Street, R.A.; Mendez, V.P.; Kaplan, S.N.

    1988-11-15T23:59:59.000Z

    Amorphous silicon ionizing particle detectors having a hydrogenated amorphous silicon (a--Si:H) thin film deposited via plasma assisted chemical vapor deposition techniques are utilized to detect the presence, position and counting of high energy ionizing particles, such as electrons, x-rays, alpha particles, beta particles and gamma radiation. 15 figs.

  6. Amorphous silicon ionizing particle detectors

    DOE Patents [OSTI]

    Street, Robert A. (Palo Alto, CA); Mendez, Victor P. (Berkeley, CA); Kaplan, Selig N. (El Cerrito, CA)

    1988-01-01T23:59:59.000Z

    Amorphous silicon ionizing particle detectors having a hydrogenated amorphous silicon (a--Si:H) thin film deposited via plasma assisted chemical vapor deposition techniques are utilized to detect the presence, position and counting of high energy ionizing particles, such as electrons, x-rays, alpha particles, beta particles and gamma radiation.

  7. High resolution FT-ICR mass spectral analysis of bio-oil and residual water soluble organics produced by hydrothermal liquefaction of the marine microalga Nannochloropsis salina

    SciTech Connect (OSTI)

    Sudasinghe, Nilusha; Dungan, Barry; Lammers, Peter; Albrecht, Karl O.; Elliott, Douglas C.; Hallen, Richard T.; Schaub, Tanner

    2014-03-01T23:59:59.000Z

    We report a detailed compositional characterization of a bio-crude oil and aqueous by-product from hydrothermal liquefaction of Nannochloropsis salina by direct infusion Fourier Transform Ion Cyclotron Resonance Mass Spectrometry (FT-ICR MS) in both positive- and negative-ionization modes. The FT-ICR MS instrumentation approach facilitates direct assignment of elemental composition to >7000 resolved mass spectral peaks and three-dimensional mass spectral images for individual heteroatom classes highlight compositional diversity of the two samples and provide a baseline description of these materials. Aromatic nitrogen compounds and free fatty acids are predominant species observed in both the bio-oil and aqueous fraction. Residual organic compounds present in the aqueous fraction show distributions that are slightly lower in both molecular ring and/or double bond value and carbon number relative to those found in the bio-oil, albeit with a high degree of commonality between the two compositions.

  8. aerosol mass spectrometer: Topics by E-print Network

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

    2004. The concentration of a species Zhang, Qi 8 Development of a thermal desorption chemical ionization mobility mass spectrometer for the speciation of ultrafine aerosols. Open...

  9. Ionizing radiation detector

    DOE Patents [OSTI]

    Thacker, Louis H. (Knoxville, TN)

    1990-01-01T23:59:59.000Z

    An ionizing radiation detector is provided which is based on the principle of analog electronic integration of radiation sensor currents in the sub-pico to nano ampere range between fixed voltage switching thresholds with automatic voltage reversal each time the appropriate threshold is reached. The thresholds are provided by a first NAND gate Schmitt trigger which is coupled with a second NAND gate Schmitt trigger operating in an alternate switching state from the first gate to turn either a visible or audible indicating device on and off in response to the gate switching rate which is indicative of the level of radiation being sensed. The detector can be configured as a small, personal radiation dosimeter which is simple to operate and responsive over a dynamic range of at least 0.01 to 1000 R/hr.

  10. High pressure xenon ionization detector

    DOE Patents [OSTI]

    Markey, John K. (New Haven, CT)

    1989-01-01T23:59:59.000Z

    A method is provided for detecting ionization comprising allowing particles that cause ionization to contact high pressure xenon maintained at or near its critical point and measuring the amount of ionization. An apparatus is provided for detecting ionization, the apparatus comprising a vessel containing a ionizable medium, the vessel having an inlet to allow high pressure ionizable medium to enter the vessel, a means to permit particles that cause ionization of the medium to enter the vessel, an anode, a cathode, a grid and a plurality of annular field shaping rings, the field shaping rings being electrically isolated from one another, the anode, cathode, grid and field shaping rings being electrically isolated from one another in order to form an electric field between the cathode and the anode, the electric field originating at the anode and terminating at the cathode, the grid being disposed between the cathode and the anode, the field shaping rings being disposed between the cathode and the grid, the improvement comprising the medium being xenon and the vessel being maintained at a pressure of 50 to 70 atmospheres and a temperature of 0.degree. to 30.degree. C.

  11. Vacuum-Ultraviolet Photoionization and Mass Spectrometric Characterization of Lignin Monomers Coniferyl and Sinapyl Alcohols

    SciTech Connect (OSTI)

    Takahashi, Lynelle K.; Zhou, Jia; Kostko, Oleg; Golan, Amir; Leone, Stephen R.; Ahmed, Musahid

    2011-02-09T23:59:59.000Z

    The fragmentation mechanisms of monolignols under various energetic processes are studied with jet-cooled thermal desorption molecular beam (TDMB) mass spectrometry (MS), 25 keV Bi3+ secondary ion MS (SIMS), synchrotron vacuum-ultraviolet secondary neutral MS (VUV-SNMS) and theoretical methods. Experimental and calculated appearance energies of fragments observed in TDMB MS indicate that the coniferyl alcohol photoionization mass spectra contain the molecular parent and several dissociative photoionization products. Similar results obtained for sinapyl alcohol are also discussed briefly. Ionization energies of 7.60 eV ? 0.05 eV for coniferyl alcohol and<7.4 eV for both sinapyl and dihydrosinapyl alcohols are determined. The positive ion SIMS spectrum of coniferyl alcohol shares few characteristic peaks (m/z = 137 and 151) with the TDMB mass spectra, shows extensive fragmentation, and does not exhibit clear molecular parent signals. VUV-SNMS spectra, on the other hand, are dominated by the parent ion and main fragments also present in the TDMB spectra. Molecular fragmentation in VUV-SNMS spectra can be reduced by increasing the extraction delay time. Some features resembling the SIMS spectra are also observed in the desorbed neutral products. The monolignol VUV-SNMS peaks shared with the TDMB mass spectra suggest that dissociative photoionization of ion-sputtered neutral molecules predominate in the VUV-SNMS mass spectra, despite the extra internal energy imparted in the initial ion impact. The potential applications of these results to imaging mass spectrometry of bio-molecules are discussed.

  12. Pulsed helium ionization detection system

    DOE Patents [OSTI]

    Ramsey, R.S.; Todd, R.A.

    1985-04-09T23:59:59.000Z

    A helium ionization detection system is provided which produces stable operation of a conventional helium ionization detector while providing improved sensitivity and linearity. Stability is improved by applying pulsed dc supply voltage across the ionization detector, thereby modifying the sampling of the detectors output current. A unique pulse generator is used to supply pulsed dc to the detector which has variable width and interval adjust features that allows up to 500 V to be applied in pulse widths ranging from about 150 nsec to about dc conditions.

  13. Pulsed helium ionization detection system

    DOE Patents [OSTI]

    Ramsey, Roswitha S. (Knoxville, TN); Todd, Richard A. (Knoxville, TN)

    1987-01-01T23:59:59.000Z

    A helium ionization detection system is provided which produces stable operation of a conventional helium ionization detector while providing improved sensitivity and linearity. Stability is improved by applying pulsed dc supply voltage across the ionization detector, thereby modifying the sampling of the detectors output current. A unique pulse generator is used to supply pulsed dc to the detector which has variable width and interval adjust features that allows up to 500 V to be applied in pulse widths ranging from about 150 nsec to about dc conditions.

  14. Optical ionization detector

    DOE Patents [OSTI]

    Wuest, Craig R. (Danville, CA); Lowry, Mark E. (Castro Valley, CA)

    1994-01-01T23:59:59.000Z

    An optical ionization detector wherein a beam of light is split so that one arm passes through a fiber optics and the other arm passes through a gas-filled region, and uses interferometry to detect density changes in a gas when charged particles pass through it. The gas-filled region of the detector is subjected to a high electric field and as a charged particle traverses this gas region electrons are freed from the cathode and accelerated so as to generate an electron avalanche which is collected on the anode. The gas density is effected by the electron avalanche formation and if the index or refraction is proportional to the gas density the index will change accordingly. The detector uses this index change by modulating the one arm of the split light beam passing through the gas, with respect to the other arm that is passed through the fiber optic. Upon recombining of the beams, interference fringe changes as a function of the index change indicates the passage of charged particles through the gaseous medium.

  15. Ionizing Radiation Injury (South Carolina)

    Broader source: Energy.gov [DOE]

    This legislation applies to employers that have more than one employee who engages in activities which involve the presence of ionizing radiation. Employers with less than three employees can...

  16. Field ionization from carbon nanofibers

    E-Print Network [OSTI]

    Adeoti, Bosun J

    2008-01-01T23:59:59.000Z

    The Micro Gas Analyzer project aims to develop power-efficient, high resolution, high sensitivity, portable and real-time gas sensors. We developed a field ionizer array based on gated CNTs. Arrays of CNTs are used because ...

  17. Resonance ionization for analytical spectroscopy

    DOE Patents [OSTI]

    Hurst, George S. (Oak Ridge, TN); Payne, Marvin G. (Harriman, TN); Wagner, Edward B. (Burchfield Heights, TN)

    1976-01-01T23:59:59.000Z

    This invention relates to a method for the sensitive and selective analysis of an atomic or molecular component of a gas. According to this method, the desired neutral component is ionized by one or more resonance photon absorptions, and the resultant ions are measured in a sensitive counter. Numerous energy pathways are described for accomplishing the ionization including the use of one or two tunable pulsed dye lasers.

  18. Ryan Kelly | EMSL

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

    Teaching Award, BYU Department of Chemistry and Biochemistry Research Interests: Microfluidics, Microfabrication, Nanoelectrospray Ionization Mass Spectrometry, Sample-Limited...

  19. aerosol time-of-flight mass: Topics by E-print Network

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

    Theses and Dissertations Summary: ??The construction of a liquid nitrogen-cooled ion mobility spectrometer coupled with time-of-flight mass spectrometry was implemented to...

  20. Spectral networks algorithms for de novo interpretation of tandem mass spectra

    E-Print Network [OSTI]

    Bandeira, Nuno Filipe Cabrita

    2007-01-01T23:59:59.000Z

    high-energy collision-induced dissociation spectra of singly protonated peptides by ’SeqMS’, a software aid for de novo sequencing by tandem mass spectrometry.

  1. andliquid chromatography-tandem mass: Topics by E-print Network

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

    using isotope dilution high performance liquid chromatography-tandem mass spectrometry. Open Access Theses and Dissertations Summary: ??A method has been developed for...

  2. X-ray spectrometry

    SciTech Connect (OSTI)

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

    1986-04-01T23:59:59.000Z

    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.

  3. Radiative feedback from ionized gas

    E-Print Network [OSTI]

    S. C. O. Glover

    2007-03-28T23:59:59.000Z

    H2 formation in metal-free gas occurs via the intermediate H- or H2+ ions. Destruction of these ions by photodissociation therefore serves to suppress H2 formation. In this paper, I highlight the fact that several processes that occur in ionized primordial gas produce photons energetic enough to photodissociate H- or H2+ and outline how to compute the photodissociation rates produced by a particular distribution of ionized gas. I also show that there are circumstances of interest, such as during the growth of HII regions around the first stars, in which this previously overlooked form of radiative feedback is of considerable importance.

  4. Continuous time-of-flight ion mass spectrometer

    DOE Patents [OSTI]

    Funsten, Herbert O.; Feldman, William C.

    2004-10-19T23:59:59.000Z

    A continuous time-of-flight mass spectrometer having an evacuated enclosure with means for generating an electric field located in the evacuated enclosure and means for injecting a sample material into the electric field. A source of continuous ionizing radiation injects ionizing radiation into the electric field to ionize atoms or molecules of the sample material, and timing means determine the time elapsed between arrival of a secondary electron out of said ionized atoms or molecules at a first predetermined location and arrival of a sample ion out of said ionized atoms or molecules at a second predetermined location.

  5. Linear electric field time-of-flight ion mass spectrometer

    DOE Patents [OSTI]

    Funsten, Herbert O. (Los Alamos, NM); Feldman, William C. (Los Alamos, NM)

    2008-06-10T23:59:59.000Z

    A linear electric field ion mass spectrometer having an evacuated enclosure with means for generating a linear electric field located in the evacuated enclosure and means for injecting a sample material into the linear electric field. A source of pulsed ionizing radiation injects ionizing radiation into the linear electric field to ionize atoms or molecules of the sample material, and timing means determine the time elapsed between ionization of atoms or molecules and arrival of an ion out of the ionized atoms or molecules at a predetermined position.

  6. Fundamentals of Traveling Wave Ion Mobility Spectrometry. | EMSL

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

    Fundamentals of Traveling Wave Ion Mobility Spectrometry. Fundamentals of Traveling Wave Ion Mobility Spectrometry. Abstract: Traveling-wave ion mobility spectrometry (TW IMS) is a...

  7. Development and evaluation of high resolution quadrupole mass analyzer and an inductively coupled plasma-Mach disk

    SciTech Connect (OSTI)

    Amad, Ma'an Hazem

    1999-12-10T23:59:59.000Z

    By definition a plasma is an electrically conducting gaseous mixture containing a significant concentration of cations and electrons. The Inductively Coupled Plasma (ICP) is an electrodeless discharge in a gas at atmospheric pressure. This discharge is an excellent one for vaporizing, atomizing, and ionizing elements. The early development of the ICP began in 1942 by Babat and then by Reed in the early 1960s. This was then followed by the pioneering work of Fassel and coworkers in the late 1960s. Commercial ICP spectrometers were introduced in the mid 1970s. A major breakthrough in the area of ICP took place in the early 1980s when the ICP was shown to be an excellent ion source for mass spectrometry.

  8. Carbon nanotube-based field ionization vacuum

    E-Print Network [OSTI]

    Jang, Daniel, M. Eng. Massachusetts Institute of Technology

    2012-01-01T23:59:59.000Z

    We report the development of a novel micropump architecture that uses arrays of isolated vertical carbon nanotubes (CNT) to field ionize gas particles. The ionized gas molecules are accelerated to and implanted into a ...

  9. Scientific innovation and resonance ionization spectroscopy

    SciTech Connect (OSTI)

    Richmond, C.R.

    1981-01-01T23:59:59.000Z

    An account is presented of the development and appliations of resonance ionization spectroscopy and one atom detection.

  10. 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 Modern Carbon Fraction

    SciTech Connect (OSTI)

    Aiken, Allison; de Foy, B.; Wiedinmyer, Christine; DeCarlo, Peter; Ulbrich, Ingrid M.; Wehrli, M. N.; Szidat, S.; Prevot, A. S. H.; Noda, J.; Wacker, L.; Volkamer, Rainer M.; Fortner, Edward; Wang, J. X.; Laskin, Alexander; Shutthanandan, V.; Zheng, J.; Zhang, Renyi; Paredes-Miranda, Guadalupe L.; Arnott, W. P.; Molina, Luis; Sosa, G.; Querol, X.; Jimenez, J. L.

    2010-06-16T23:59:59.000Z

    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 OA (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 index correlates well with the observed BBOA, 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 very small during this period. All fire tracers are correlated, with BBOA and levoglucosan showing little background, acetonitrile having a well-known tropospheric background of ~100-150 ppt, and PM2.5 potassium having a background of ~160 ng m-3 (two-thirds of its average concentration), which does not appear to be related to BB sources.

  11. Influence of high power impulse magnetron sputtering plasma ionization on the microstructure of TiN thin films

    SciTech Connect (OSTI)

    Ehiasarian, A. P.; Vetushka, A. [Nanotechnology Centre for PVD Research, Materials and Engineering Institute, Sheffield Hallam University, Howard Street, Sheffield, S1 1WB (United Kingdom); Gonzalvo, Y. Aranda [Plasma and Surface Division, Hiden Analytical Ltd., 420 Europa Boulevard, Warrington, WA5 7UN (United Kingdom); Safran, G.; Szekely, L.; Barna, P. B. [Research Institute for Technical Physics and Materials Science, H-1525 Budapest, P.O. Box 49 (Hungary)

    2011-05-15T23:59:59.000Z

    HIPIMS (High Power Impulse Magnetron Sputtering) discharge is a new PVD technology for the deposition of high-quality thin films. The deposition flux contains a high degree of metal ionization and nitrogen dissociation. The microstructure of HIPIMS-deposited nitride films is denser compared to conventional sputter technologies. However, the mechanisms acting on the microstructure, texture and properties have not been discussed in detail so far. In this study, the growth of TiN by HIPIMS of Ti in mixed Ar and N{sub 2} atmosphere has been investigated. Varying degrees of metal ionization and nitrogen dissociation were produced by increasing the peak discharge current (I{sub d}) from 5 to 30 A. The average power was maintained constant by adjusting the frequency. Mass spectrometry measurements of the deposition flux revealed a high content of ionized film-forming species, such as Ti{sup 1+}, Ti{sup 2+} and atomic nitrogen N{sup 1+}. Ti{sup 1+} ions with energies up to 50 eV were detected during the pulse with reducing energy in the pulse-off times. Langmuir probe measurements showed that the peak plasma density during the pulse was 3 x 10{sup 16} m{sup -3}. Plasma density, and ion flux ratios of N{sup 1+}: N{sub 2}{sup 1+} and Ti{sup 1+}: Ti{sup 0} increased linearly with peak current. The ratios exceeded 1 at 30 A. TiN films deposited by HIPIMS were analyzed by X-ray diffraction, and transmission electron microscopy. At high I{sub d}, N{sup 1+}: N{sub 2}{sup 1+} > 1 and Ti{sup 1+}: Ti{sup 0} > 1 were produced; a strong 002 texture was present and column boundaries in the films were atomically tight. As I{sub d} reduced and N{sup 1+}: N{sub 2}{sup 1+} and Ti{sup 1+}: Ti{sup 0} dropped below 1, the film texture switched to strong 111 with a dense structure. At very low I{sub d}, porosity between columns developed. The effects of the significant activation of the deposition flux observed in the HIPIMS discharge on the film texture, microstructure, morphology and properties are discussed.

  12. Ionizing Radiation in Smoothed Particle Hydrodynamics

    E-Print Network [OSTI]

    O. Kessel-Deynet; A. Burkert

    2000-02-11T23:59:59.000Z

    A new method for the inclusion of ionizing radiation from uniform radiation fields into 3D Smoothed Particle Hydrodynamics (SPHI) simulations is presented. We calculate the optical depth for the Lyman continuum radiation from the source towards the SPHI particles by ray-tracing integration. The time-dependent ionization rate equation is then solved locally for the particles within the ionizing radiation field. Using test calculations, we explore the numerical behaviour of the code with respect to the implementation of the time-dependent ionization rate equation. We also test the coupling of the heating caused by the ionization to the hydrodynamical part of the SPHI code.

  13. SIEMENS ADVANCED QUANTRA FTICR MASS SPECTROMETER FOR ULTRA HIGH RESOLUTION AT LOW MASS

    SciTech Connect (OSTI)

    Spencer, W; Laura Tovo, L

    2008-07-08T23:59:59.000Z

    The Siemens Advanced Quantra Fourier Transform Ion Cyclotron Resonance (FTICR) mass spectrometer was evaluated as an alternative instrument to large double focusing mass spectrometers for gas analysis. High resolution mass spectrometers capable of resolving the common mass isomers of the hydrogen isotopes are used to provide data for accurate loading of reservoirs and to monitor separation of tritium, deuterium, and helium. Conventional double focusing magnetic sector instruments have a resolution that is limited to about 5000. The Siemens FTICR instrument achieves resolution beyond 400,000 and could possibly resolve the tritium ion from the helium-3 ion, which differ by the weight of an electron, 0.00549 amu. Working with Y-12 and LANL, SRNL requested Siemens to modify their commercial Quantra system for low mass analysis. To achieve the required performance, Siemens had to increase the available waveform operating frequency from 5 MHz to 40 MHz and completely redesign the control electronics and software. However, they were able to use the previous ion trap, magnet, passive pump, and piezo-electric pulsed inlet valve design. NNSA invested $1M in this project and acquired four systems, two for Y-12 and one each for SRNL and LANL. Siemens claimed a $10M investment in the Quantra systems. The new Siemens Advanced Quantra demonstrated phenomenal resolution in the low mass range. Resolution greater than 400,000 was achieved for mass 2. The new spectrometer had a useful working mass range to 500 Daltons. However, experiments found that a continuous single scan from low mass to high was not possible. Two useful working ranges were established covering masses 1 to 6 and masses 12 to 500 for our studies. A compromise performance condition enabled masses 1 to 45 to be surveyed. The instrument was found to have a dynamic range of about three orders of magnitude and quantitative analysis is expected to be limited to around 5 percent without using complex fitting algorithms. Analysis of low concentration ions, at the ppm level, required a separate analysis using ion ejection techniques. Chemical ionization due to the formation of the MH{sup +} ion or MD{sup +} increased the complexity of the spectra compared to magnetic sector mass spectra and formation of the protonated or deuterated complex was a dynamic function of the trap ion concentration. This made quantitative measurement more of a challenge. However, the resolution of the instrument was far superior to any other mass spectrometry technique that has been applied to the analysis of the hydrogen isotopes. The piezo-electric picoliter injection device offers a new way of submitting small quantities of atmospheric pressure sample gas for analysis. The new software had many improvements over the previous version but significant flaws in the beta codes remain that make the prototype units less than ideal. The instrument is a promising new technology that experience will likely improve. Unfortunately, Siemens has concluded that the technology will not be a commercial success and has decided to stop producing this product.

  14. Anal. Chem. 1981, 53, 1241-1244 1241 Comparison of Mass Spectra Obtained with Low-Energy Ion

    E-Print Network [OSTI]

    Chait, Brian T.

    and High-Energy Californium-252 Fission Fragment Bombardment Werner Ens and K. G. Standing Physics mass spectrometry (1,2)and low-energy ion bombardment mass spectrometry (3-5). In these techniquesAnal. Chem. 1981, 53, 1241-1244 1241 Comparison of Mass Spectra Obtained with Low-Energy Ion

  15. The Ionizing Continuum of Quasars

    E-Print Network [OSTI]

    Ari Laor

    1998-10-15T23:59:59.000Z

    The ionizing continuum shape of quasars is generally not directly observable, but indirect arguments, based on photoionization models and thin accretion disk models suggest that it should peak in the extreme UV, and drop steeply into the soft X-ray regime. However, recent observations of very soft X-ray emission in low z quasars, and far UV emission of high z quasars, suggest that the ionizing continuum of quasars does not peak in the extreme UV, and may extend as a single power law from ~1000 A to ~1 keV. If true, that has interesting implications for photoionization models and for accretion disk models. The proposed revised continuum shape will be tested directly in the near future with FUSE.

  16. The multiphoton ionization of uranium hexafluoride. Revision 1

    SciTech Connect (OSTI)

    Armstrong, D.P. [Oak Ridge K-25 Site, TN (United States). UEO Enrichment Technical Operations Div.] [Oak Ridge K-25 Site, TN (United States). UEO Enrichment Technical Operations Div.

    1992-05-01T23:59:59.000Z

    Multiphoton ionization (MPI) time-of-flight mass spectroscopy and photoelectron spectroscopy studies of UF{sub 6} have been conducted using focused light from the Nd:YAG laser fundamental ({lambda}=1064 nm) and its harmonics ({lambda}=532, 355, or 266 nm), as well as other wavelengths provided by a tunable dye laser. The MPI mass spectra are dominated by the singly and multiply charged uranium ions rather than by the UF{sub x}{sup +} fragment ions even at the lowest laser power densities at which signal could be detected. The laser power dependence of U{sup n+} ions signals indicates that saturation can occur for many of the steps required for their ionization. In general, the doubly-charged uranium ion (U{sup 2+}) intensity is much greater than that of the singly-charged uranium ion (U{sup +}). For the case of the tunable dye laser experiments, the U{sup n+} (n = 1- 4) wavelength dependence is relatively unstructured and does not show observable resonance enhancement at known atomic uranium excitation wavelengths. The dominance of the U{sup 2+} ion and the absence or very small intensities of UF{sub x}{sup +} fragments, along with the unsaturated wavelength dependence, indicate that mechanisms may exist other than ionization of bare U atoms after the stepwise photodissociation of F atoms from the parent molecule.

  17. Mass Spectral Molecular Networking of Living Microbial Colonies

    SciTech Connect (OSTI)

    Watrous, Jeramie D.; Roach, Patrick J.; Alexandrov, Theodore; Heath, Brandi S.; Yang, Jane Y.; Kersten, Roland; vander Voort, Menno; Pogliano, Kit; Gross, Harald; Raaijmakers, Jos M.; Moore, Bradley S.; Laskin, Julia; Bandeira, Nuno; Dorrestein, Pieter C.

    2012-06-26T23:59:59.000Z

    Integrating the governing chemistry with the genomics and phenotypes of microbial colonies has been a "holy grail" in microbiology. This work describes a highly sensitive, broadly applicable, and costeffective approach that allows metabolic profiling of live microbial colonies directly from a Petri dish without any sample preparation. Nanospray desorption electrospray ionization mass spectrometry (MS), combined with alignment of MS data and molecular networking, enabled monitoring of metabolite production from live microbial colonies from diverse bacterial genera, including Bacillus subtilis, Streptomyces coelicolor, Mycobacterium smegmatis, and Pseudomonas aeruginosa. This work demonstrates that, by using these tools to visualize small molecular changes within bacterial interactions, insights can be gained into bacterial developmental processes as a result of the improved organization of MS/MS data. To validate this experimental platform, metabolic profiling was performed on Pseudomonas sp. SH-C52, which protects sugar beet plants from infections by specific soil-borne fungi [R. Mendes et al. (2011) Science 332:1097–1100]. The antifungal effect of strain SHC52 was attributed to thanamycin, a predicted lipopeptide encoded by a nonribosomal peptide synthetase gene cluster. Our technology, in combination with our recently developed peptidogenomics strategy, enabled the detection and partial characterization of thanamycin and showed that it is amonochlorinated lipopeptide that belongs to the syringomycin family of antifungal agents. In conclusion, the platform presented here provides a significant advancement in our ability to understand the spatiotemporal dynamics of metabolite production in live microbial colonies and communities.

  18. Statistical analysis of surface-enhanced laser desorption/ionization (SELDI) protein chip data from

    E-Print Network [OSTI]

    Browne, William

    ) and chemo-sensitive (MCF7 and T47D) breast cancer cell lines that have or have not received exposure breast cancer cell lines (MCF7 and T47D). The abil- ity to classify cellular populations at a molecular and Methods 2.1 Sample preparation and SELDI mass spectrometry The breast cancer cell lines MCF-7, T47D

  19. The Cryogenic Dark Matter Search: First 5-Tower Data and Improved Understanding of Ionization Collection

    SciTech Connect (OSTI)

    Bailey, Catherine N.; /Case Western Reserve U.

    2010-01-01T23:59:59.000Z

    The Cryogenic Dark Matter Search (CDMS) is searching for Weakly Interacting Massive Particles (WIMPs) with cryogenic particle detectors. These detectors have the ability to discriminate between nuclear recoil candidate and electron recoil background events by collecting both phonon and ionization energy from recoils in the detector crystals. The CDMS-II experiment has completed analysis of the first data runs with 30 semiconductor detectors at the Soudan Underground Laboratory, resulting in a world leading WIMP-nucleon spin-independent cross section limit for WIMP masses above 44 GeV/c{sup 2}. As CDMS aims to achieve greater WIMP sensitivity, it is necessary to increase the detector mass and discrimination between signal and background events. Incomplete ionization collection results in the largest background in the CDMS detectors as this causes electron recoil background interactions to appear as false candidate events. Two primary causes of incomplete ionization collection are surface and bulk trapping. Recent work has been focused on reducing surface trapping through the modification of fabrication methods for future detectors. Analyzing data taken with test devices has shown that hydrogen passivation of the amorphous silicon blocking layer worsens surface trapping. Additional data has shown that the iron-ion implantation used to lower the critical temperature of the tungsten transition-edge sensors causes a degradation of the ionization collection. Using selective implantation on future detectors may improve ionization collection for events near the phonon side detector surface. Bulk trapping is minimized by neutralizing ionized lattice impurities. Detector investigations at testing facilities and in situ at the experimental site have provided methods to optimize the neutralization process and monitor running conditions to maintain full ionization collection. This work details my contribution to the 5-tower data taking, monitoring, and analysis effort as well as the SuperCDMS detector development with the focus on monitoring and improving ionization collection in the detectors.

  20. Applications of Ionic Clusters in High Resolution Mass Spectrometry

    E-Print Network [OSTI]

    Leib, Ryan David

    2010-01-01T23:59:59.000Z

    with the solvation energies of the reactant E solv (3+)and product E solv (2+) clusters (eq 2 and 3) obtained from6 (H 2 O) n 3+(g) #G = –E solv (3+) Ru(NH 3 ) 6 (H 2 O) n 2

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

    E-Print Network [OSTI]

    DeBord, John 1986-

    2012-08-16T23:59:59.000Z

    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...

  2. Quantitative analysis of amino acid mixtures by mass spectrometry

    E-Print Network [OSTI]

    Bird, James Spencer

    1971-01-01T23:59:59.000Z

    C~hto Gibert& and J. Oro, 'l, 604 (1969). 16. S. D. Cliristian, 0. Chem. Educ. , 42, 604 (1965) 17. L. G. Sillcri, Acta Chem. Scancl. , I8, 1085 (1964) 18. R. D. Gr i@shy, C. O. Ilaiisen, D. G. I"lai, ne. in9, G. Eox, and R. II. Cole, Ar al...

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

    E-Print Network [OSTI]

    Williams, Renee Therese

    2012-01-01T23:59:59.000Z

    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

  4. Isoelectric Trapping and Mass Spectrometry: Tools for Proteomics

    E-Print Network [OSTI]

    Cologna, Stephanie Marie

    2012-02-14T23:59:59.000Z

    ................... 4 Electrophoretic Separations............................................................ 5 Isoelectric Focusing (IEF) .............................................................. 6... including anode and cathode compartments, separation wells and buffering membranes. The number of separation wells and pH values of buffering membranes can be tailored for each experiment. ......................................... 21 Figure 6...

  5. Algorithms for tandem mass spectrometry-based proteomics

    E-Print Network [OSTI]

    Frank, Ari Michael

    2008-01-01T23:59:59.000Z

    An introduction to the conjugate gradient method without theusing a nonlinear Conjugate Gradient method [196]. LogisticA nonlinear Conjugate Gradient method [196] was used to

  6. Mass spectrometry-based proteomics: existing capabilities and...

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

    for a wide range of applications, from investigations of microbial communities, bioremediation, and human health and disease states alike. ? Citation: Angel TE, UK Aryal,...

  7. Isoelectric Trapping and Mass Spectrometry: Tools for Proteomics 

    E-Print Network [OSTI]

    Cologna, Stephanie Marie

    2012-02-14T23:59:59.000Z

    ................... 4 Electrophoretic Separations............................................................ 5 Isoelectric Focusing (IEF) .............................................................. 6... including anode and cathode compartments, separation wells and buffering membranes. The number of separation wells and pH values of buffering membranes can be tailored for each experiment. ......................................... 21 Figure 6...

  8. Monitoring Trace Radionuclides by ICP Mass Spectrometry with...

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

    extensive monitoring programs for trace radionuclides relevant to the observation of illicit nuclear activities. FUNDING SOURCE: United States Department of Energy NA22 FOR MORE...

  9. Mass Spectrometer: Ion Mobility Spectrometry, Time of Flight...

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

    isolated human pancreatic islets using LC-MSMS-based proteomics. The prevalence of diabetes mellitus is increasing dramatically throughout the world, and the disease has become...

  10. High-Throughput Mass-Spectrometry Monitoring for Multisubstrate Enzymes

    E-Print Network [OSTI]

    Davis, Ben G.

    (EC 2.4.1.22), and the recently isolated Arabidopsis thaliana GT UGT72B1 (EC 2.4.1.-). The GAR (green a fast, high-throughput method for finding potential donors and acceptors from substrate libraries

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

    E-Print Network [OSTI]

    Burke, John Edmund

    2008-01-01T23:59:59.000Z

    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

  12. Anasys licenses ORNL nanoscale mass spectrometry imaging technology...

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

    in imaging resolution as small as 250 nanometers, or 1400th the thickness of a human hair. "This capability could have a tremendous impact on a broad field of applications in...

  13. 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: Alternative1 First Use of Energy for All Purposes (Fuel and Nonfuel), 2002; Level: National5Sales for4,645U.S. DOE Office511041cloth DocumentationProductsAlternativeOperationalAugust August 2015 Events2-7148 CEnergy

  14. 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: Alternative1 First Use of Energy for All Purposes (Fuel and Nonfuel), 2002; Level: National5Sales for4,645U.S. DOEThe Bonneville PowerCherries 82981-1cnHighandSWPA / SPRA /Ml'.Solar Thermal Solar ThermalJul 13 1 2 3 4Laser

  15. Anasys licenses ORNL nanoscale mass spectrometry imaging technology |

    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: Alternative1 First Use of Energy for All Purposes (Fuel and Nonfuel), 2002; Level: National5Sales for4,645U.S. DOE Office511041cloth DocumentationProductsAlternative FuelsSanta3 Table 3. Summary results
Analyzing76

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

    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: Alternative1 First Use of Energy for All Purposes (Fuel and Nonfuel), 2002; Level: National5Sales for4,645U.S. DOEThe Bonneville PowerCherries 82981-1cnHighand Retrievals from a New 183-GHzMAR Os ZD15netMary

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

    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: Alternative1 First Use of Energy for All Purposes (Fuel and Nonfuel), 2002; Level: National5Sales for4,645U.S. DOEThe Bonneville PowerCherries 82981-1cnHighand Retrievals from a New 183-GHzMAR Os ZD15netMaryspectrometry on

  18. Improvements in Inductively Coupled Plasma - Mass Spectrometry | The Ames

    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: Alternative1 First Use of Energy for All Purposes (Fuel and Nonfuel), 2002; Level: National5Sales for4,645U.S. DOEThe Bonneville PowerCherries 82981-1cnHigh School footballHydrogenITLaboratory in Inductively Coupled Plasma

  19. 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: Alternative1 First Use of Energy for All Purposes (Fuel and Nonfuel), 2002; Level: National5Sales for4,645U.S. DOEThe Bonneville Power AdministrationField8,Dist.NewofGeothermal Heat Pump Basics Acrobat XGettingGift Tag

  20. Hall Magnetohydrodynamics of weakly-ionized plasma

    E-Print Network [OSTI]

    B. P. Pandey; Mark Wardle

    2006-08-02T23:59:59.000Z

    We show that the Hall scale in a weakly ionized plasma depends on the fractional ionization of the medium and, Hall MHD description becomes important whenever the ion-neutral collision frequency is comparable to the ion-gyration frequency, or, the ion-neutral collisional mean free path is smaller than the ion gyro-radius. Wave properties of a weakly-ionized plasma also depends on the fractional ionization and plasma Hall parameters, and whistler mode is the most dominant mode in such a medium. Thus Hall MHD description will be important in astrophysical disks, dark molecular clouds, neutron star crusts, and, solar and planetary atmosphere.

  1. Nanospray Desorption Electrospray Ionization: an Ambient Method...

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

    signal as compared to the traditional DESI and discuss imaging applications. Citation: Roach PJ, J Laskin, and A Laskin.2010."Nanospray Desorption Electrospray Ionization: an...

  2. Ionization probes of molecular structure and chemistry

    SciTech Connect (OSTI)

    Johnson, P.M. [State Univ. of New York, Stony Brook (United States)

    1993-12-01T23:59:59.000Z

    Various photoionization processes provide very sensitive probes for the detection and understanding of the spectra of molecules relevant to combustion processes. The detection of ionization can be selective by using resonant multiphoton ionization or by exploiting the fact that different molecules have different sets of ionization potentials. Therefore, the structure and dynamics of individual molecules can be studied even in a mixed sample. The authors are continuing to develop methods for the selective spectroscopic detection of molecules by ionization, and to use these methods for the study of some molecules of combustion interest.

  3. Saha Ionization Formula and the Voids

    E-Print Network [OSTI]

    Mofazzal Azam

    2002-08-14T23:59:59.000Z

    The ultra-low density limit of Saha ionization formula suggests that, in this limit, matter would prefer to remain ionized.This has a very important implication for cosmic structures known as Voids.These are ultra-low density (much less than average density of matter in the Universe) regions in the galactic clusters and superclusters.The ionization formula implies that matter trapped in the Voids should be ionized.Therefore, we expect a very faint radiation glow from the Voids resulting from the motion of the charged particles.

  4. Ionization tube simmer current circuit

    DOE Patents [OSTI]

    Steinkraus, Jr., Robert F. (Livermore, CA)

    1994-01-01T23:59:59.000Z

    A highly efficient flash lamp simmer current circuit utilizes a fifty percent duty cycle square wave pulse generator to pass a current over a current limiting inductor to a full wave rectifier. The DC output of the rectifier is then passed over a voltage smoothing capacitor through a reverse current blocking diode to a flash lamp tube to sustain ionization in the tube between discharges via a small simmer current. An alternate embodiment of the circuit combines the pulse generator and inductor in the form of an FET off line square wave generator with an impedance limited step up output transformer which is then applied to the full wave rectifier as before to yield a similar simmer current.

  5. Ionization tube simmer current circuit

    DOE Patents [OSTI]

    Steinkraus, R.F. Jr.

    1994-12-13T23:59:59.000Z

    A highly efficient flash lamp simmer current circuit utilizes a fifty percent duty cycle square wave pulse generator to pass a current over a current limiting inductor to a full wave rectifier. The DC output of the rectifier is then passed over a voltage smoothing capacitor through a reverse current blocking diode to a flash lamp tube to sustain ionization in the tube between discharges via a small simmer current. An alternate embodiment of the circuit combines the pulse generator and inductor in the form of an FET off line square wave generator with an impedance limited step up output transformer which is then applied to the full wave rectifier as before to yield a similar simmer current. 6 figures.

  6. 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.

    2015-01-01T23:59:59.000Z

    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.

  7. Ionization Spectroscopy of Conformational Isomers of Propanal: The Origin of the Conformational Preference

    E-Print Network [OSTI]

    Kim, Sang Kyu

    Ionization Spectroscopy of Conformational Isomers of Propanal: The Origin of the Conformational conformational isomers of propanal, cis and gauche, are investigated by the vacuum-UV mass- analyzed thresholdV and 9.9516 ( 0.0006 eV, respectively. cis-Propanal, which is the more stable conformer in the neutral

  8. MASS SPECTROMETRIC APPROACHES FOR CHEMICAL CHARACTERISATION OF ATMOSPHERIC AEROSOLS: CRITICAL REVIEW OF MOST RECENT ADVANCES

    SciTech Connect (OSTI)

    Laskin, Alexander; Laskin, Julia; Nizkorodov, Sergey

    2012-06-29T23:59:59.000Z

    This manuscript presents an overview of the most recent instrument developments, field and laboratory applications of mass spectrometry (MS) in chemistry and physics of atmospheric aerosols. A broad range of MS instruments employing different sample introduction methods, ionization and mass detection techniques are utilized for both “on?line” and “off?line” characterization of aerosols. On?line MS techniques enable detection of individual particles with simultaneous measurements of particle size distributions and aerodynamic characteristics, and are ideally suited for field studies which require high temporal resolution. Off?line MS techniques provide means for detailed molecular?level analysis of aerosol samples which is essential to fundamental knowledge on aerosol chemistry, mechanisms of particle formation and atmospheric aging. Combined together, complementary MS techniques provide comprehensive information on the chemical composition, size, morphology and phase of aerosols ? data of key importance for evaluating hygroscopic and optical properties of particles, their health effects, understanding their origins, and atmospheric evolution. Developments and applications of MS techniques in the aerosol research have expanded remarkably over a couple of last years as evidenced by sky?rocketing publication statistics. The goal of this review is to period of late 2010 ? early2012, which were not conveyed in previous reviews.

  9. Laser-induced ionization of Na vapor

    SciTech Connect (OSTI)

    Wu, R.C.Y.; Judge, D.L.; Roussel, F.; Carre, B.; Breger, P.; Spiess, G.

    1982-01-01T23:59:59.000Z

    The production of Na/sub 2//sup +/ ions by off-resonant laser excitation in the 5800-6200A region mainly results from two-photon absorption by the Na/sub 2/ molecule to highly excited gerade states followed by (a) direct ionization by absorbing a third photon or (b) coupling to the molecular Na/sub 2/ D/sup 1/PI..mu.. Rydberg state which is subsequently ionized by absorbing a third photon. This mechanism, i.e., a two-photon resonance three photon ionization process, explains a recent experimental observation of Roussel et al. It is suggested that the very same mechanism is also responsible for a similar observation reported by Polak-Dingels et al in their work using two crossed Na beams. In the latter two studies the laser-induced associative ionization processes were reported to be responsible for producing the Na/sub 2//sup +/ ion. From the ratio of molecular to atomic concentration in the crossed beam experiment of Polak-Dingels et al we estimate that the cross section for producing Na/sub 2//sup +/ through laser-induced associative ionization is at least four orders of magnitude smaller than ionization through the two-photon resonance three photon ionization process in Na/sub 2/ molecules.

  10. Pushing the Frontier of High-Definition Ion Mobility Spectrometry...

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

    the Frontier of High-Definition Ion Mobility Spectrometry Using FAIMS. Pushing the Frontier of High-Definition Ion Mobility Spectrometry Using FAIMS. Abstract: Differential ion...

  11. 7, 64136457, 2007 Single particle mass

    E-Print Network [OSTI]

    Paris-Sud XI, Université de

    to use Mexico City as a case study of air pollution mitigation while major advances continue to improve the regional air quality.5 To help decrease particulate matter (PM) pollution in Mexico City, ACPD 7, 6413­6457, 2007 Single particle mass spectrometry of Mexico City aerosols R. C. Moffet

  12. Method for Characterization of Low Molecular Weight Organic Acids in Atmospheric Aerosols Using Ion Chromatography Mass

    E-Print Network [OSTI]

    Dickerson, Russell R.

    spectrometry (ESI-MS).17-19 ESI has the advantage of being compatible with polar mobile phases, and softMethod for Characterization of Low Molecular Weight Organic Acids in Atmospheric Aerosols Using Ion Chromatography Mass Spectrometry Lacey C. Brent,* Jessica L. Reiner, Russell R. Dickerson, and Lane C. Sander

  13. Ultra-high-resolution alpha spectrometry for nuclear forensics and safeguards applications

    SciTech Connect (OSTI)

    Bacrania, Minesh K [Los Alamos National Laboratory; Croce, Mark [Los Alamos National Laboratory; Bond, Evelyn [Los Alamos National Laboratory; Dry, Donald [Los Alamos National Laboratory; Moody, W. Allen [Los Alamos National Laboratory; Lamont, Stephen [Los Alamos National Laboratory; Rabin, Michael [Los Alamos National Laboratory; Rim, Jung [Los Alamos National Laboratory; Smith, Audrey [Los Alamos National Laboratory; Beall, James [NIST-BOULDER; Bennett, Douglas [NIST-BOULDER; Kotsubo, Vincent [NIST-BOULDER; Horansky, Robert [NIST-BOULDER; Hilton, Gene [NIST-BOULDER; Schmidt, Daniel [NIST-BOULDER; Ullom, Joel [NIST-BOULDER; Cantor, Robin [STAR CRYOELECTRONICS

    2010-01-01T23:59:59.000Z

    We will present our work on the development of ultra-high-resolution detectors for alpha particle spectrometry. These detectors, based on superconducting transition-edge sensors, offer energy resolution that is five to ten times better than conventional silicon detectors. Using these microcalorimeter detectors, the isotopic composition of mixed-actinide samples can be determined rapidly without the need for actinide separation chemistry to isolate each element, or mass spectrometry to separate isotopic signatures that can not be resolved using traditional alpha spectrometry (e.g. Pu-239/Pu-240, or Pu-238/Am-241). This paper will cover the detector and measurement system, actinide source preparation, and the quantitative isotopic analysis of a number of forensics- and safeguards-relevant radioactive sources.

  14. Airborne Gamma-Spectrometry in Switzerland

    SciTech Connect (OSTI)

    Butterweck, Gernot [Paul Scherrer Institut, 5232 Villigen PSI (Switzerland); Bucher, Benno [Swiss Federal Nuclear Safety Inspectorate, 5232 Villigen HSK (Switzerland); Rybach, Ladislaus [Swiss Federal Institute of Technology Zurich, Institute of Geophysics, 8093 Zurich (Switzerland)

    2008-08-07T23:59:59.000Z

    Airborne gamma-spectrometry is able to obtain fast radiological information over large areas. The airborne gamma-spectrometry unit deployed in Switzerland by the Swiss National Emergency Operations Centre (NEOC) consists of a Swiss army Super Puma helicopter equipped with four NaI-Detectors with a total volume of 17 liters, associated electronics and a real-time data evaluation and mapping unit developed by the Swiss Federal Institute of Technology (ETH) and the Paul Scherrer Institut (PSI). The operational readiness of the airborne gamma-spectrometry system is validated in annual exercises of one week duration. Data from 2005 and 2006 exercises are represented in maps of {sup 137}Cs activity concentration for two towns located in southern and western Switzerland. An indicator of man-made radioactivity (MMGC ratio) is demonstrated for an area with four different types of nuclear installations. The intercomparison between airborne gamma-spectrometry and ground measurements showed good agreement between both methods.

  15. Nuclear Materials Identification System (NMIS) with Gamma Spectrometry for Attributes of Pu, HEU, and Detection of HE and Chemical Agents

    SciTech Connect (OSTI)

    Mihalczo, J. T.; Mattingly, J. K.; Mullens, J. A.; Neal, J. S.

    2002-05-01T23:59:59.000Z

    A combined Nuclear Materials Identification System (NMIS)-gamma ray spectrometry system can be used passively to obtain the following attributes of Pu: presence, fissile mass, 240/239 ratio, and metal vs. oxide. This system can also be used with a small, portable, DT neutron generator to measure the attributes of highly enriched uranium (HEU): presence, fissile mass, enrichment, metal vs. oxide; and detect the presence of high explosives (HE). For the passive system, time-dependent coincidence distributions can be used for the presence, fissile mass, metal vs. oxide for Pu, and gamma-ray spectrometry can be used for 239/240 ratio and presence. So presence can be confirmed by two methods. For the active system with a DT neutron generator, all four attributes for both Pu and HEU can be determined from various features of the time-dependent coincidence distribution measurements for both Pu and HEU. Active gamma ray spectrometry would also give presence and 240/239 ratio for Pu, enrichment for HEU, and metal vs. oxide for both. Active gamma ray spectrometry would determine the presence of HE. The various features of time-dependent coincidence distributions and gamma ray spectrometry that determine these attributes are discussed with some examples from previous determinations.

  16. Quasi-linear gradients for capillary liquid chromatography with mass and tandem mass

    E-Print Network [OSTI]

    Dabiri, John O.

    Gradient elution, capillary liquid chromatography mass spectrometry was performed with linear, static the use of additional valves, mixers, pumps or software. It took less than 10 minutes to form a gradient-line as static gradients.12­14 The technique of forming static gradients was first proposed by Ishii and co

  17. Soft ionization of thermally evaporated hypergolic ionic liquid aerosols

    SciTech Connect (OSTI)

    University of California; ERC, Incorporated, Edwards Air Force Base; Air Force Research Laboratory, Edwards Air Force Base; National Synchrotron Radiation Research Center (NSRRC); Institute of Chemistry, Hebrew University; Koh, Christine J.; Liu, Chen-Lin; Harmon, Christopher W.; Strasser, Daniel; Golan, Amir; Kostko, Oleg; Chambreau, Steven D.; Vaghjiani, Ghanshyam L.; Leone, Stephen R.

    2011-07-19T23:59:59.000Z

    Isolated ion pairs of a conventional ionic liquid, 1-Ethyl-3-Methyl-Imidazolium Bis(trifluoromethylsulfonyl)imide ([Emim+][Tf2N?]), and a reactive hypergolic ionic liquid, 1-Butyl-3-Methyl-Imidazolium Dicyanamide ([Bmim+][Dca?]), are generated by vaporizing ionic liquid submicron aerosol particles for the first time; the vaporized species are investigated by dissociative ionization with tunable vacuum ultraviolet (VUV) light, exhibiting clear intact cations, Emim+ and Bmim+, presumably originating from intact ion pairs. Mass spectra of ion pair vapor from an effusive source of the hypergolic ionic liquid show substantial reactive decomposition due to the internal energy of the molecules emanating from the source. Photoionization efficiency curves in the near threshold ionization region of isolated ion pairs of [Emim+][Tf2N?]ionic liquid vapor are compared for an aerosol source and an effusive source, revealing changes in the appearance energy due to the amount of internal energy in the ion pairs. The aerosol source has a shift to higher threshold energy (~;;0.3 eV), attributed to reduced internal energy of the isolated ion pairs. The method of ionic liquid submicron aerosol particle vaporization, for reactive ionic liquids such as hypergolic species, is a convenient, thermally ?cooler? source of isolated intact ion pairs in the gas phase compared to effusive sources.

  18. Analysis of 3-panel and 4-panel microscale ionization sources

    SciTech Connect (OSTI)

    Natarajan, Srividya; Parker, Charles B.; Glass, Jeffrey T. [Department of Electrical and Computer Engineering, Duke University, Durham, North Carolina 27708 (United States); Piascik, Jeffrey R.; Gilchrist, Kristin H. [Center for Materials and Electronic Technologies, RTI International, Research Triangle Park, North Carolina 27709 (United States); Stoner, Brian R. [Department of Electrical and Computer Engineering, Duke University, Durham, North Carolina 27708 (United States); Center for Materials and Electronic Technologies, RTI International, Research Triangle Park, North Carolina 27709 (United States)

    2010-06-15T23:59:59.000Z

    Two designs of a microscale electron ionization (EI) source are analyzed herein: a 3-panel design and a 4-panel design. Devices were fabricated using microelectromechanical systems technology. Field emission from carbon nanotube provided the electrons for the EI source. Ion currents were measured for helium, nitrogen, and xenon at pressures ranging from 10{sup -4} to 0.1 Torr. A comparison of the performance of both designs is presented. The 4-panel microion source showed a 10x improvement in performance compared to the 3-panel device. An analysis of the various factors affecting the performance of the microion sources is also presented. SIMION, an electron and ion optics software, was coupled with experimental measurements to analyze the ion current results. The electron current contributing to ionization and the ion collection efficiency are believed to be the primary factors responsible for the higher efficiency of the 4-panel microion source. Other improvements in device design that could lead to higher ion source efficiency in the future are also discussed. These microscale ion sources are expected to find application as stand alone ion sources as well as in miniature mass spectrometers.

  19. Soft ionization of thermally evaporated hypergolic ionic liquid aerosols

    SciTech Connect (OSTI)

    University of California; ERC, Incorporated, Edwards Air Force Base; Air Force Research Laboratory, Edwards Air Force Base; National Synchrotron Radiation Research Center (NSRRC); Koh, Christine J.; Liu, Chen-Lin; Harmon, Christopher W.; Strasser, Daniel; Golan, Amir; Kostko, Oleg; Chambreau, Steven D.; L.Vaghjiani, Ghanshyam; Leone, Stephen R.

    2012-03-16T23:59:59.000Z

    Isolated ion pairs of a conventional ionic liquid, 1-Ethyl-3-Methyl-Imidazolium Bis(trifluoromethylsulfonyl)imide ([Emim+][Tf2N?]), and a reactive hypergolic ionic liquid, 1- Butyl-3-Methyl-Imidazolium Dicyanamide ([Bmim+][Dca?]), are generated by vaporizing ionic liquid submicron aerosol particles for the first time; the vaporized species are investigated by dissociative ionization with tunable vacuum ultraviolet (VUV) light, exhibiting clear intact cations, Emim+ and Bmim+, presumably originating from intact ion pairs. Mass spectra of ion pair vapor from an effusive source of the hypergolic ionic liquid show substantial reactive decomposition due to the internal energy of the molecules emanating from the source. Photoionization efficiency curves in the near threshold ionization region of isolated ion pairs of [Emim+][Tf2N?] ionic liquid vapor are compared for an aerosol source and an effusive source, revealing changes in the appearance energy due to the amount of internal energy in the ion pairs. The aerosol source has a shift to higher threshold energy (~;;0.3 eV), attributed to reduced internal energy of the isolated ion pairs. The method of ionic liquid submicron aerosol particle vaporization, for reactive ionic liquids such as hypergolic species, is a convenient, thermally ?cooler? source of isolated intact ion pairs in the gas phase compared to effusive sources.

  20. Ion Sources and Mass Analyzers in Protein Characterization

    E-Print Network [OSTI]

    Richardson, David

    . Get molecules into the gas phase & ionize them. 2. Give the ions a defined energy or velocity. 3 of analyzers may not always be adequate to distinguish individual peaks. In this case, average masses are used/z are lost. The mass range is scanned as the voltages are swept from min to max, but at constant DC/RF ratio

  1. 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

  2. Statistical Assessment of Time and Mass Alignment Quality in Liquid Chromatography-Mass Spectrometry

    E-Print Network [OSTI]

    Velando, Isaac

    2011-01-11T23:59:59.000Z

    to the upper (blue) time series by shifts in the time axis ....................... 3 3 The intensity-intensity plot for the template vs. aligned 01 data set ...................... 7 4 A normal Q-Q diagnostic plot for the template vs. aligned 01 data set... ................................................................................................ 14 8 A Q-Q diagnostic plot for the template vs. aligned 01 data set ........................... 15 9 The intensity-intensity plot along with the linear fit for the template vs. aligned 02 data set...

  3. Ionization energies along beryllium isoelectronic sequence

    E-Print Network [OSTI]

    Malyshev, A V; Glazov, D A; Tupitsyn, I I; Shabaev, V M; Plunien, G

    2015-01-01T23:59:59.000Z

    Ionization energies for the ground state of berylliumlike ions with nuclear charge numbers in the range Z=16-96 are rigorously evaluated. The calculations merge the ab initio QED treatment in the first and second orders of the perturbation theory in the fine-structure constant $\\alpha$ with the third- and higher-order electron-correlation contributions evaluated within the Breit approximation. The nuclear recoil and nuclear polarization effects are taken into account. The accuracy of the ionization energies obtained has been significantly improved in comparison with previous calculations.

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

    E-Print Network [OSTI]

    Continetti, Robert E.

    /ionization and the molecular ions of two different proteins myoglobin and lysozyme , created by matrix assisted laser,7 and matrix assisted desorption and ionization MALDI 8­11 have become avail- able to allow the mass the samples with a robot- driven capillary,15 a scanning ion beam,16 or spatial resolu- tion was achieved

  5. Design and construction of an experimental mass spectrometer

    E-Print Network [OSTI]

    Wall, Robert F.

    1950-01-01T23:59:59.000Z

    Experiment Station, the Texas A and M Research Foundation, and the Westinghouse Electric Corporation. The Westinghouse Electric Corporation donated a mass spectrometer and recorder of their manufacture to the col? lege and established a fellowship... in mass spectrometry. This instrument is of the 90? magnetic sector type, and em? ploys automatic magnetic mass scanning and recording. The experience gained with this instrument and the assistance of the Westinghouse fellows has been invaluable...

  6. Separation and Classification of Lipids Using Differential Ion Mobility Spectrometry

    SciTech Connect (OSTI)

    Shvartsburg, Alexandre A.; Isaac, Georgis; Leveque, Nathalie; Smith, Richard D.; Metz, Thomas O.

    2011-04-12T23:59:59.000Z

    Correlations between the dimensions of a 2-D separation create trend lines that normally depend on structural or functional characteristics of the compound class and thus facilitate classification of unknowns. This broadly applies to conventional ion mobility spectrometry (IMS)/mass spectrometry (MS), where the major biomolecular classes (e.g., lipids, peptides, nucleotides) occupy different trend line domains. However, strong correlation between the IMS and MS separations for ions of same charge has impeded finer distinctions. Differential IMS (or FAIMS) is generally much less correlated to MS and thus should better separate the trend lines and associated domains. We report the first observation of chemical class separation by trend lines using FAIMS, here for lipids. For all lipids, FAIMS is indeed more independent of MS than conventional IMS, and subclasses (such as phospho-, glycero-, or sphingolipids) form distinct, often non-overlapping domains. Even finer categories with different functional groups or degrees of unsaturation are often separated. As expected, resolution improves in He-rich gases: at ~70% He, glycerolipid isomers with different positions of fatty acid attachment can be resolved. These results open the door for lipidomics application of FAIMS, particularly shotgun lipidomics and targeted analyses of bioactive lipids.

  7. Effect of ionization relaxation on conditions for development of ionization instability

    SciTech Connect (OSTI)

    Vasil'eva, R.V.; Erofeev, A.V.; Tkhorik, L.G.; Shingarkina, V.A.

    1982-03-01T23:59:59.000Z

    The results of an experimental investigation of the development of ionization instability in completely inert gases are presented for the case of flow of gases across a transverse magnetic field when the ionization relaxation time is much greater than the temperature relaxation time. The experiments were conducted on two electrodeless devices; the first was a coaxial channel with constant transverse cross section and radial magnetic field, while the second was a disc channel with axial magnetic field and radial gas flow. The critical Hall parameter and the time of development of the ionization instability are determined. Recommendations are given for estimating properties of the homogeneous state of the plasma.

  8. advanced ecr ion: Topics by E-print Network

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

    Milos; Aharonovich, Igor 2015-01-01 95 Applications of Chemometric Algorithms to Ion Mobility Spectrometry and Matrix Assisted Laser DesorptionIonization Time-of-Flight Mass...

  9. assisted ion energy: Topics by E-print Network

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

    Alejandro; Porras, Diego 2012-01-01 36 Applications of Chemometric Algorithms to Ion Mobility Spectrometry and Matrix Assisted Laser DesorptionIonization Time-of-Flight Mass...

  10. ablation ambient pressure: Topics by E-print Network

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

    molecular imaging by laser ablation electrospray ionization mass spectrometry with ion mobility separation Chemistry Websites Summary: mouse brain sections) were imaged under...

  11. Imaging Nicotine in Rat Brain Tissue by Use of Nanospray Desorption...

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

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

  12. The Tellurophosphate K4P8Te4: Phase-Change Properties, Exfoliation, Photoluminescence in Solution and Nanospheres

    E-Print Network [OSTI]

    Weliky, David

    The Tellurophosphate K4P8Te4: Phase-Change Properties, Exfoliation, Photoluminescence in Solution- state NMR spectroscopy, electrospray ionization mass spectrometry, and PDF analysis indicate exfoliation

  13. Dilution-Free Analysis from Picoliter Droplets by Nano-Electrospray...

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

    by Nano-Electrospray Ionization Mass Spectrometry. Abstract: The expanding role of microfluidics for chemical and biochemical analysis is due to factors including the favorable...

  14. Membrane-Based Emitter for Coupling Microfluidics with Ultrasensitive...

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

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

  15. Low pressure electrospray ionization system and process for effective transmission of ions

    DOE Patents [OSTI]

    Tang, Keqi (Richland, WA); Page, Jason S (Kennewick, WA); Kelly, Ryan T (West Richland, WA); Smith, Richard D (Richland, WA)

    2012-05-08T23:59:59.000Z

    Systems and methods that provide up to complete transmission of ions between coupled stages with low effective ion losses. An "interfaceless" electrospray ionization system is further described that operates an electrospray at a reduced pressure such that standard electrospray sample solutions can be directly sprayed into an electrodynamic ion funnel which provides ion focusing and transmission of ions into a mass analyzer. Furthermore, chambers maintained at different pressures can allow for more optimal operating conditions for an electrospray emitter and an ion guide.

  16. Composite scintillators for detection of ionizing radiation

    DOE Patents [OSTI]

    Dai, Sheng (Knoxville, TN) [Knoxville, TN; Stephan, Andrew Curtis (Knoxville, TN) [Knoxville, TN; Brown, Suree S. (Knoxville, TN) [Knoxville, TN; Wallace, Steven A. (Knoxville, TN) [Knoxville, TN; Rondinone, Adam J [Knoxville, TN

    2010-12-28T23:59:59.000Z

    Applicant's present invention is a composite scintillator having enhanced transparency for detecting ionizing radiation comprising a material having optical transparency wherein said material comprises nano-sized objects having a size in at least one dimension that is less than the wavelength of light emitted by the composite scintillator wherein the composite scintillator is designed to have selected properties suitable for a particular application.

  17. Performance of An Axial Gas Ionization Detector

    E-Print Network [OSTI]

    S. Adhikari; C. Basu; C. Samanta; S. S. Brahmachari; B. P. Das; P. Basu

    2006-10-11T23:59:59.000Z

    An axial gas ionization chamber has been fabricated for use as a $\\Delta E$ detector in heavy ion induced nuclear reactions. Different operating parameters such as gas type, pressure, anode voltage and anode structures have been optimized. The transparency of the anode structure is observed to play an important role in improving the energy resolution of the detector.

  18. Muon Cooling via Ionization Andrea Kay Forget

    E-Print Network [OSTI]

    Cinabro, David

    decay, as a result of their short lives many of the known cooling techniques (electron, stochastic this cooling technique has never been used many bugs need to be worked out, such as the setup and layout for muon ionization cooling to work efficiently. I. INTRODUCTION Muons need a faster beam cooling technique

  19. WARPED IONIZED HYDROGEN IN THE GALAXY

    SciTech Connect (OSTI)

    Cersosimo, J. C.; Figueroa, N. Santiago; Velez, S. Figueroa; Soto, C. Lozada [Department of Physics and Electronics, University of Puerto Rico at Humacao, Humacao, PR 00791 (Puerto Rico); Mader, S. [CSIRO Parkes Observatory, New South Wales (Australia); Azcarate, D. [Instituto Argentino de RadioastronomIa, CC No. 5, 1894 Villa Elisa. BsAs (Argentina)], E-mail: juan.cersosimo@upr.edu

    2009-07-01T23:59:59.000Z

    We report observations of the H166{alpha} ({nu} = 1424.734 MHz) radio recombination line (RRL) emission from the Galactic plane in the longitude range l = 267 deg. - 302 deg. and latitude range b = -3.{sup 0}0 to +1.{sup 0}5. The line emission observed describes the Carina arm in the Galactic azimuth range from {theta} = 260 deg. to 190 deg. The structure is located at negative latitudes with respect to the formal Galactic plane. The observations are combined with RRL data from the first Galactic quadrant. Both quadrants show the signature of the warp for the ionized gas, but an asymmetry of the distribution is noted. In the fourth quadrant, the gas is located between Galactic radii R {approx} 7 and 10 kpc, and the amplitude of the warp is seen from the midplane to z {approx} -150 pc. In the first quadrant, the gas is found between R {approx} 8 and 13-16 kpc, and flares to z {approx} +350 pc. We confirm the warp of the ionized gas near the solar circle. The distribution of the ionized gas is compared with the maximum intensity H I emission (0.30 < n{sub HI} < 0.45 cm{sup -3}) at intervals of the Galactic ring. The ionized material is correlated with the H I maximum intensity in both quadrants, and both components show the same tilted behavior with respect to the mid-Galactic plane.

  20. ATOMIC IONIZATION AND OPACITIES IN PULSAR ATMOSPHERES

    E-Print Network [OSTI]

    ATOMIC IONIZATION AND OPACITIES IN PULSAR ATMOSPHERES Hydrogen Atmospheres J. VENTURA Physics.g. Pavlov et al., 1995; Zavlin et al., 1995, 1996; #12; 2 J. VENTURA ET AL. Rajagopal and Romani, 1996 the past three years. As is well known (Canuto and Ventura, 1977; Ruder et al., 1994), the external strong