Sample records for imaging mass spectrometry

  1. Secondary Ion Mass Spectrometry Imaging of Dictyostelium discoideum Aggregation Streams

    SciTech Connect (OSTI)

    Debord, J. Daniel; Smith, Donald F.; Anderton, Christopher R.; Heeren, Ronald M.; Pasa-Tolic, Ljiljana; Gomer, Richard H.; Fernandez-Lima, Francisco A.

    2014-06-09T23:59:59.000Z

    High resolution imaging mass spectrometry could become a valuable tool for cell and developmental biology, but both, high spatial and mass spectral resolution are needed to enable this. In this 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 image Dictyostelium discoideum aggregation streams. Nearly 300 lipid species were identified from the aggregation streams. High resolution mass spectrometry imaging (FTICR-SIMS) enabled the generation of multiple molecular ion maps at the nominal mass level and provided good coverage for fatty acyls, prenol lipids, and sterol lipids. The comparison of Bi3 ToF-SIMS and C60 FTICR-SIMS suggested that while the first provides fast, high spatial resolution molecular ion images, the chemical complexity of biological samples warrants the use of high resolution analyzers for accurate ion identification.

  2. 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.

  3. 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.

  4. 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.

  5. 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.

  6. 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 RĂĽbel, 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

  7. 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.

  8. 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.

  9. 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:1 First Use of Energy for All Purposes (Fuel and Nonfuel),Feet) Year Jan Feb Mar Apr MayAtmospheric Optical Depth7-1D: VegetationEquipment Surfaces andMapping the Nanoscale Landscape PrintSurveyMary K.MassSpectrometry

  10. 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.

  11. Spatial Querying of Imaging Mass Spectrometry Data for the Biochemical Characterization of Anatomical Regions in Tissue

    E-Print Network [OSTI]

    Spatial Querying of Imaging Mass Spectrometry Data for the Biochemical Characterization tissue section. In this paper we develop methods that enable spatial querying of MSI data. The objective that adds spatial information to mass spectral biochemical analysis. It delivers insight into the spatial

  12. 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.

  13. 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...

  14. 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...

  15. 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.

  16. 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).

  17. 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).

  18. 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).

  19. 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).

  20. 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).

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

    DOE Patents [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).

  2. Gas Chromatography -Mass Spectrometry

    E-Print Network [OSTI]

    Nizkorodov, Sergey

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

  3. 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.

  4. 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...

  5. 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.

  6. 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.

  7. 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.

  8. 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

  9. 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.

  10. Laser desorption/ionization mass spectrometry for direct profiling and imaging of small molecules from raw biological materials

    SciTech Connect (OSTI)

    Cha, Sangwon

    2008-05-15T23:59:59.000Z

    Matrix-assisted laser desorption/ionization(MALDI) mass spectrometry(MS) has been widely used for analysis of biological molecules, especially macromolecules such as proteins. However, MALDI MS has a problem in small molecule (less than 1 kDa) analysis because of the signal saturation by organic matrixes in the low mass region. In imaging MS (IMS), inhomogeneous surface formation due to the co-crystallization process by organic MALDI matrixes limits the spatial resolution of the mass spectral image. Therefore, to make laser desorption/ionization (LDI) MS more suitable for mass spectral profiling and imaging of small molecules directly from raw biological tissues, LDI MS protocols with various alternative assisting materials were developed and applied to many biological systems of interest. Colloidal graphite was used as a matrix for IMS of small molecules for the first time and methodologies for analyses of small metabolites in rat brain tissues, fruits, and plant tissues were developed. With rat brain tissues, the signal enhancement for cerebroside species by colloidal graphite was observed and images of cerebrosides were successfully generated by IMS. In addition, separation of isobaric lipid ions was performed by imaging tandem MS. Directly from Arabidopsis flowers, flavonoids were successfully profiled and heterogeneous distribution of flavonoids in petals was observed for the first time by graphite-assisted LDI(GALDI) IMS.

  11. 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.

  12. 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.

  13. 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.

  14. Mass Spectrometry | EMSL

    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:1 First Use of Energy for All Purposes (Fuel and Nonfuel),Feet) Year Jan Feb Mar Apr May Jun Jul(Summary)morphinanInformation Desert Southwest Region serviceMissionreal-time informationScience &MapsMarketsMass

  15. Combined Atomic Force Microscope-Based Topographical Imaging and Nanometer Scale Resolved Proximal Probe Thermal Desorption/Electrospray Ionization-Mass Spectrometry

    SciTech Connect (OSTI)

    Ovchinnikova, Olga S [ORNL; Nikiforov, Maxim [ORNL; Bradshaw, James A [ORNL; Jesse, Stephen [ORNL; Van Berkel, Gary J [ORNL

    2011-01-01T23:59:59.000Z

    Nanometer scale proximal probe thermal desorption/electrospray ionization mass spectrometry (TD/ESI-MS) was demonstrated for molecular surface sampling of caffeine from a thin film using a 30 nm diameter nano-thermal analysis (nano-TA) probe tip in an atomic force microscope (AFM) coupled via a vapor transfer line and ESI interface to a MS detection platform. Using a probe temperature of 350 C and a spot sampling time of 30 s, conical desorption craters 250 nm in diameter and 100 nm deep were created as shown through subsequent topographical imaging of the surface within the same system. Automated sampling of a 5 x 2 array of spots, with 2 m spacing between spots, and real time selective detection of the desorbed caffeine using tandem mass spectrometry was also demonstrated. Estimated from the crater volume (~2x106 nm3), only about 10 amol (2 fg) of caffeine was liberated from each thermal desorption crater in the thin film. These results illustrate a relatively simple experimental setup and means to acquire in automated fashion sub-micrometer scale spatial sampling resolution and mass spectral detection of materials amenable to TD. The ability to achieve MS-based chemical imaging with 250 nm scale spatial resolution with this system is anticipated.

  16. 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:...

  17. 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...

  18. 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...

  19. 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.

  20. 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

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

  1. 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...

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

    E-Print Network [OSTI]

    McIntire, Thomas Shane

    1991-01-01T23:59:59.000Z

    ABSTRACT . ACKNOWLEDGEMENT TABLE OF CONTENTS . tv LIST OF TABLES LIST OF FIGURES C~R I. INTRODUCTION tx xt A. A General Overview . 1. Particle-Induced Desorption 2. The Application of Cf PDMS in Analytical Chemistry 3. Time-of-Flight Mass... INTRODUCTION The method of 'Cf plasma desorption mass spectrometry (PDMS) is a mass spectrometric method pioneered in 1974 by Macfarlane and co-workers (1) at Texas A&M University. This method uses fission fragments (highly energetic atomic ions...

  3. Optimization Of A Mass Spectrometry Process

    SciTech Connect (OSTI)

    Lopes, Jose [Instituto Superior de Engenharia de Lisboa, Rua Conselheiro Emidio Navarro, 1, 1959-007 Lisbon (Portugal); Instituto Superior Tecnico, Av. Rovisco Pais, 1, 1049-001 Lisbon (Portugal); Instituto Tecnologico e Nuclear, E.N. 10, Sacavem 2686-953 (Portugal); Centro de Fisica Nuclear da Universidade de Lisboa, Av. Prof. Gama Pinto 2, 1649-003 Lisboa (Portugal); Alegria, F. Correa [Instituto Superior Tecnico, Av. Rovisco Pais, 1, 1049-001 Lisbon (Portugal); Instituto de Telecomunicacoes, Av. Rovisco Pais, 1, 1049-001 Lisbon (Portugal); Redondo, Luis [Instituto Superior de Engenharia de Lisboa, Rua Conselheiro Emidio Navarro, 1, 1959-007 Lisbon (Portugal); Centro de Fisica Nuclear da Universidade de Lisboa, Av. Prof. Gama Pinto 2, 1649-003 Lisboa (Portugal); Barradas, N. P.; Alves, E. [Instituto Tecnologico e Nuclear, E.N. 10, Sacavem 2686-953 (Portugal); Centro de Fisica Nuclear da Universidade de Lisboa, Av. Prof. Gama Pinto 2, 1649-003 Lisboa (Portugal); Rocha, Jorge [Instituto Tecnologico e Nuclear, E.N. 10, Sacavem 2686-953 (Portugal)

    2011-06-01T23:59:59.000Z

    In this paper we present and discuss a system developed in order to optimize the mass spectrometry process of an ion implanter. The system uses a PC to control and display the mass spectrum. The operator interacts with the I/O board, that interfaces with the computer and the ion implanter by a LabVIEW code. Experimental results are shown and the capabilities of the system are discussed.

  4. 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...

  5. 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...

  6. 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.

  7. 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...

  8. 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,...

  9. 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...

  10. 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 Abstract: This work demonstrates the utility of a particle-into-liquid sampler (PILS) a...

  11. 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.

  12. 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

  13. 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 ...

  14. 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

  15. 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

  16. 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

  17. Evaluation of histone sequence and modifications by electrospray ionization mass spectrometry and tandem mass spectrometry

    SciTech Connect (OSTI)

    Edmonds, C.G.; Loo, J.A.; Smith, R.D.; Fuciarelli, A.F.; Thrall, B.D.; Morris, J.E.; Springer, D.L. (Pacific Northwest Lab., Richland, WA (United States))

    1993-01-01T23:59:59.000Z

    The histones, together with other specialized proteins and DNA, form the extraordinarily complex structure of chromatin. Electrospray ionization (ESI) permits the promotion of such protein species into the gas phase as intact, multiply charged molecular species. Mass spectrometry (MS), using a linear quadrupole mass filter, permits measurement of the relative molecular mass of these intact species with precision and accuracy. The latter are sufficient to evaluate variations in the primary structure of the histones and the type and extent of the natural and induced multiple covalent modifications. The locations of modifications are revealed by tandem mass spectrometry using tandem linear quadrupole or ion trap instruments on the intact species or the modified peptides derived by selective proteolysis. Experiments in applying this technique to histones from K562, a human-derived cell line, have demonstrated variations in the profile of modification through the normal cell cycle and in the presence of agents that inhibit enzymes responsible for reversal of the modification. The authors are currently testing the hypothesis that ESI-MS will permit the sensitive and selective identification of insult-induced modifications, distinguishing them from natural cell-cycle changes. This will be possible because ESI-MS reveals the full details of the profile of multiple posttranslational modifications of histones.

  18. Analysis of perchlorate in groundwater by electrospray ionization mass spectrometry/mass spectrometry

    SciTech Connect (OSTI)

    Koester, C.J.; Beller, H.R.; Halden, R.U.

    2000-05-01T23:59:59.000Z

    An electrospray ionization mass spectrometry/mass spectrometry (ESI/MS/MS) method was developed to measure part-per-billion ({micro}g/L) concentrations of perchlorate in groundwater. Selective and sensitive perchlorate detection was achieved by operating the mass spectrometer in the negative ionization mode and by using MS/MS to monitor the CIO{sub 4}{sup {minus}} to ClO{sub 3}{sup {minus}} transition. The method of standard additions was used to address the considerable signal suppression caused by anions that are typically present in groundwater, such as bicarbonate and sulfate. ESI-MS/MS analysis was rapid, accurate, reproducible, and provided a detection limit of 0.5 {micro}g/L perchlorate in groundwater. Accuracy and precision of the ESI/MS/MS method were assessed by analyzing performance evaluation samples in a groundwater matrix and by comparing ion chromatography (IC) and ESI/MS/MS results for local groundwater samples. Results for the performance evaluation samples differed from the certified values by 4--13%, and precision ranged from 3 to 10% (relative standard deviation). The IC and ESI/MS/MS results were statistically indistinguishable for perchlorate concentrations above the detection limits of both methods.

  19. 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

  20. 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

  1. 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)

  2. 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.

  3. 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. . ....

  4. Tools for investigating cellular signaling networks by mass spectrometry

    E-Print Network [OSTI]

    Curran, Timothy Gordon

    2014-01-01T23:59:59.000Z

    Mass spectrometry has become the tool of choice for proteomics. Its unrivaled coverage and reproducibility has positioned it head and shoulders above competing techniques for analyzing protein expression post-translational ...

  5. 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

  6. 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

  7. 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.

  8. 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 (

  9. 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

  10. 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.

  11. 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 which...

  12. 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.

  13. Mass spectrometry of proteins of known mass Andrew D. Miranker*

    E-Print Network [OSTI]

    Miranker, Andrew

    deter- mination has two significant advantages. First, the mass accuracy under these conditions to the orifice of the mass analyzer. As a result, there is a local separation of charges at the tip

  14. 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...

  15. Electrospray Ionization Mass Spectrometry of hexanitrohexaazaisowurtzitane (CL-20)

    SciTech Connect (OSTI)

    Campbell, James A.; Szecsody, Jim E.; Devary, Brooks J.; Valenzuela, Blandina R.

    2007-09-03T23:59:59.000Z

    Hexanitrohexaazaisowurtzitane, (C6H6N12O12, MW 438) {CL-20}, is a high-energy propellent that has been recently developed and successfully tested (Nielsen et al. 1998). CL-20 releases more energy on ignition and is more stable to accidental detonation than currently used energetic materials. It is expected to replace many of the energetic materials currently being used by the Department of Defense (DoD). The EPA method 8330 (EPA 1997) for the analysis of explosives and metabolites in soils calls for the use of UV/Vis detection. High performance liquid chromatography has been used to quantify CL-20 and precursor concentration (Bazaki et al. 1998`) at relatively high concentrations. Fourier transform infrared (FTIR) spectroscopy has been used to identify different crystal forms of CL-20 (4 isomers; Kim et al. 1998). Campbell et al. (1997) utilized particle beam mass spectrometry for the analysis of enzymatic degradation of explosives. Introduction and recent improvements of ionization techniques such as electrospray (ES) have allowed the mass spectrometer to become more widely used in liquid chromatography. Schilling(1996) also examined explosive components and metabolites using electrospray (ES) and atmospheric pressure chemical ionization (APCI) liquid chromatography/mass spectrometry (LC/MS). Schilling’s results showed that compared to thermospray LC/MS, APCI and ES were more sensitive than thermospray by at least an order of magnitude. 1,3,5-trinitro-1,3,5-triazacyclohexane (RDX), 10 nitroso-RDX metabolites, and other munitions in ground water have been analyzed using solid phase extraction and isotope dilution liquid chromatography-APCI mass spectrometry (Cassada et al. 1999). The method detection limits indicate that nitramine and nitroaromatic compounds can be routinely determined in ground water samples using electrospray LC/MS with concentration techniques utilizing solid-phase extraction. Miller et al. (1996) studied nitrated explosives with mobile phase additives to enhance the ESI intensities and spectral consistencies. Several of the explosives gave nitrate adduct ions in the negative mode with ammonium nitrate as the mobile phase. The nitramines RDX and 1,3,5,7-tetranitro-1,3,5,7 tetraazacyclooctane (HMX) showed the greatest enhancement in response of the explosives. Ammonium nitrate was used as the mobile phase and made it possible to obtain consistent and interpretable LC/MS spectra at the nanogram level. Campbell et al. (1999), Shi et al. (2000), and Goheen et al. (1999) utilized electrospray ionization mass spectrometry for the identification of degradation products of explosives. Yinon et al. (1997) used ESI and tandem mass spectrometry collision-induced dissociation to examine several nitramine compounds including trinitrotolutene (TNT), RDX, and pentaerythritol tetranitrate (PETN). The results indicate that explosives can be detected in the negative ion mode and characterized by various adduct ions. As an example, for nitroglycerin, the major adduct ion observed was (M+ONO2)-. In addition, Harvey et al. (1992) have used direct probe mass spectrometry for the analysis of degradation products of tetryl and its transformation products in soil. The negative ion electrospray mass spectrum of CL-20 is reported here. The major adduct ions observed under negative ion conditions were (M+Cl)- at m/z 473 and (M+ONO2) – at m/z 500. In addition, the results of mass spectrometry/mass spectrometry studies are also discussed.

  16. 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.

  17. 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.

  18. 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 ...

  19. 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.

  20. Interpretation of snow properties from imaging spectrometry Jeff Dozier a,

    E-Print Network [OSTI]

    Kurapov, Alexander

    electromagnetic signal. Initially, imaging spectrometers mainly focused on identification of surface materials Imaging spectrometry Snow is among the most "colorful" materials in nature, but most of the variability from the wavelength position of known absorption bands. The heritage for the work on snow began

  1. International Journal of Mass Spectrometry 260 (2007) 222–236 Extended data analysis strategies for high resolution imaging MS: New methods to deal with extremely large image hyperspectral datasets

    E-Print Network [OSTI]

    Leendert A. Klerk A; Er Broersen B; Ian W. Fletcher C

    2006-01-01T23:59:59.000Z

    The large size of the hyperspectral datasets that are produced with modern mass spectrometric imaging techniques makes it difficult to analyze the results. Unsupervised statistical techniques are needed to extract relevant information from these datasets and reduce the data into a surveyable overview. Multivariate statistics are commonly used for this purpose. Computational power and computer memory limit the resolution at which the datasets can be analyzed with these techniques. We introduce the use of a data format capable of efficiently storing sparse datasets for multivariate analysis. This format is more memory-efficient and therefore it increases the possible resolution together with a decrease of computation time. Three multivariate techniques are compared for both sparse-type data and non-sparse data acquired in two different imaging ToF-SIMS experiments and one LDI-ToF imaging experiment. There is no significant qualitative difference in the use of different data formats for the same multivariate algorithms. All evaluated multivariate techniques could be applied on both SIMS and the LDI imaging datasets. Principal component analysis is shown to be the fastest choice; however a small increase of computation time using a VARIMAX optimization increases the decomposition quality significantly. PARAFAC analysis is shown to be very effective in separating different chemical components but the calculations take a significant amount of time, limiting its use as a routine technique. An effective visualization of the results of the multivariate analysis is as important for the analyst as the computational issues. For this reason, a new technique for visualization is presented, combining both spectral loadings and spatial

  2. JOURNAL OF MASS SPECTROMETRY J. Mass Spectrom. 2003; 38: 277282

    E-Print Network [OSTI]

    Manstein, Dietmar J.

    tandem mass spectrom- etry even isomerizations such as isoaspartate formation are detectable.3 Low-energy, nuclear and endosomal morphology, a defect in fluid-phase uptake and an impairment in normal cytokinesis.1.02 derived from acrylamide-modified peptides.8 These fragmentation reactions can be utilized for the spe-

  3. Fourier transform mass spectrometry of high-mass biomolecules

    SciTech Connect (OSTI)

    Buchanan, M.V.; Hettich, R.L. (Oak Ridge National Lab., TN (United States))

    1993-03-01T23:59:59.000Z

    In this report the authors present an overview of the use of FTMS for the analysis of large biomolecules, with emphasis on recent developments in coupling ESI and MALDI with FTMS. A simple description of the principles of FTMS operation and experimental factors that are relevant to the examination of large molecules are also presented. The examples represent state-of-the-art capabilities of FTMS. On the basis of early reports, it is apparent that the applications of FTMS for the analysis of biopolymers will expand rapidly in the near future. Although many different types of mass analyzers are compatible with FAB, ESI, and MALDI, FTMS has exhibited particular potential for high sensitivity, accurate mass measurement, high-mass resolution, and structural characterization of large biopolymers. The recent results obtained with both ESI-FTMS and MALDI-FTMS are very exciting with respect to both fundamental advances in the capabilities of FTMS and potential applications in the biochemical laboratory. 63 refs., 6 figs., 1 tab.

  4. 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.

  5. 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.

  6. 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.

  7. 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...

  8. New developments in biochemical mass spectrometry: Electrospray ionization

    SciTech Connect (OSTI)

    Smith, R.D.; Loo, J.A.; Edmonds, C.G.; Barinaga, C.J.; Udseth, H.R. (Pacific Northwest Laboratory, Richland, WA (USA))

    1990-05-01T23:59:59.000Z

    The principles, development, and recent application of electrospray ionization-mass spectrometry (ESI-MS) to biological compounds are reviewed. ESI-MS methods now allow determination of accurate molecular weights for proteins extending to over 50,000, and in some cases well over 100,000. Similar capabilities are being developed for oligonucleotides. The instrumentation used for ESI-MS is briefly described and it is shown that, although ionization efficiency appears to be uniformly high, detector sensitivity may be directly correlated with molecular weight. The use of tandem mass spectrometry (e.g., MS/MS) for extending collision-induced dissociation (CID) methods to the structural studies of large molecules is described. For example, effective CID of various albumin species (molecular weight {approximately}66,000) can be obtained, far larger than obtainable for singly charged molecular ions. The combination of capillary electrophoresis, in both free solution zone electrophoresis and isotachophoresis formats, as well as microcolumn liquid chromatography with ESI-MS, provides the capability for on-line separation and analysis of subpicomole quantities of proteins. These and other new developments related to ESI-MS are illustrated by a range of examples. Fundamental considerations suggest even more impressive developments may be anticipated related to detection sensitivity and methods for obtaining structural information.

  9. Detection of methoxylated anions of fullerenes by electrospray ionization mass spectrometry

    SciTech Connect (OSTI)

    Wilson, S.R.; Wu, Y. (New York Univ., NY (United States))

    1993-11-03T23:59:59.000Z

    Electrospray ionization mass spectrometry (ESI-MS) has been applied to the study of the reactions of fullerenes in solution. The C[sub 60][sup [minus

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

    Office of Science (SC) Website

    Mass Spectrometry at ANL and ORNL Developed at: Argonne National Laboratory (ANL), Oak Ridge National Laboratory (ORNL) Developed in: Current Result of NP research: Basic NP...

  11. 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.

  12. Ion Mobility SpectrometryMass Spectrometry Performance Using Electrodynamic Ion Funnels and Elevated Drift Gas Pressures

    SciTech Connect (OSTI)

    Baker, Erin Shammel; Clowers, Brian H.; Li, Fumin; Tang, Keqi; Tolmachev, Aleksey V.; Prior, David C.; Belov, Mikhail E.; Smith, Richard D.

    2007-06-28T23:59:59.000Z

    The ability of ion mobility spectrometry coupled with mass spectrometry (IMS-MS) to characterize biological mixtures has been illustrated over the past eight years. However, the challenges posed by the extreme complexity of many biological samples have demonstrated the need for higher resolution IMS-MS measurements. We have developed a higher resolution ESI-IMS-TOF MS by utilizing high pressure electrodynamic ion funnels at both ends of the IMS drift cell and operating the drift cell at an elevated pressure compared to a previous design. The ESI-IMS-TOF MS instrument consists of an ESI source, an hourglass ion funnel used for ion accumulation/injection into an 88 cm drift cell followed by a 10 cm ion funnel and a commercial orthogonal time-of-flight mass spectrometer providing high mass measurement accuracy. It was found that the rear (exit) ion funnel could be effectively operated as an extension of the drift cell when the DC fields were matched, allowing the instrument to have an effective drift region of 98 cm. Two differentially pumped quadrupole regions were used to couple the IMS and TOF MS to focus and minimize the ion transient time between the stages. The resolution of the instrument was evaluated at pressures ranging from 4 to12 Torr and ion mobility drift voltages of 16 V/cm (4 Torr) to 43 V/cm (12 Torr). An increase in resolution from 55 to 80 was observed from 4 to 12 Torr nitrogen drift gas with no loss in sensitivity. Given the increased usage of ion funnels prior to ion mobility separations, additional attention was directed towards the influence of drift gas on the observed ion populations trapped and transmitted using an electrodynamic ion funnel. The choice of drift gas was shown to influence the degree of ion heating and relative trapping efficiency within the ion funnel.

  13. 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.

  14. 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.

  15. Dating Studies of Elephant Tusks Using Accelerator Mass Spectrometry

    SciTech Connect (OSTI)

    Sideras-Haddad, E; Brown, T A

    2002-10-03T23:59:59.000Z

    A new method for determining the year of birth, the year of death, and hence, the age at death, of post-bomb and recently deceased elephants has been developed. The technique is based on Accelerator Mass Spectrometry radiocarbon analyses of small-sized samples extracted from along the length of a ge-line of an elephant tusk. The measured radiocarbon concentrations in the samples from a tusk can be compared to the {sup 14}C atmospheric bomb-pulse curve to derive the growth years of the initial and final samples from the tusk. Initial data from the application of this method to two tusks will be presented. Potentially, the method may play a significant role in wildlife management practices of African national parks. Additionally, the method may contribute to the underpinnings of efforts to define new international trade regulations, which could, in effect, decrease poaching and the killing of very young animals.

  16. 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.

  17. 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

  18. 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

  19. International Journal of Mass Spectrometry 288 (2009) 1621 Contents lists available at ScienceDirect

    E-Print Network [OSTI]

    Kim, Myung Soo

    International Journal of Mass Spectrometry 288 (2009) 16­21 Contents lists available at ScienceDirect International Journal of Mass Spectrometry journal homepage: www.elsevier.com/locate/ijms Utility of reaction-MS2 and PD-MS3 were combined, demonstrating the utility of transient ion detection by PD-MS3

  20. 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

  1. 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

  2. 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

  3. 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...

  4. 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.

  5. 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.

  6. 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.

  7. Prospects for large dynamic range isotope analysis using photon burst mass spectrometry

    SciTech Connect (OSTI)

    Fairbank, W.M. Jr.; LaBelle, R.D.; Keller, R.A.; Miller, C.M.; Poths, J.; Fearey, B.L.

    1988-01-01T23:59:59.000Z

    Photon Burst Mass Spectrometry is a relatively new and untried method which may complement and extend the impressive achievements of Resonance Ionization Mass Spectrometry and Accelerator Mass Spectrometry in the field of large dynamic range isotope analysis. Theoretical predictions indicate that measurements in the 10/sup /minus/11/ to 10/sup /minus/15/ range are possible in a reasonable period of time with zero background. Experimentally only the very first demonstrations of PBMS with stable isotopes have been completed. 8 refs., 1 fig., 1 tab.

  8. 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...

  9. 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...

  10. 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 ...

  11. 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

  12. 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.

  13. 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

  14. 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

  15. 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

  16. 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

  17. On-line electrochemistry/electrospray mass spectrometry: Studies of oxidation of polycyclic aromatic hydrocarbons (PAHs)

    SciTech Connect (OSTI)

    Xu, Xiaoming; Lu, Wenzhe; Cole, R.B. [Univ. of New Orleans, LA (United States)] [and others

    1995-12-31T23:59:59.000Z

    Studies of on-line coupling of electrochemistry with mass spectrometry, i.e., {open_quotes}electrochemical mass spectrometry{close_quotes} (EC/MS) date back to work by Bruckenstein et al. in the 1970`s. In these and other early experiments, porous working electrodes or permeable membranes were usually used as the interface between the cell and the MS ionization source which exclusively employed electron ionization (EI). As a result, only volatile products of electrochemical reactions could be detected by the mass line electrochemistry/mass spectroscopy was the coupling of an mass spectrometer (EC/TS/MS) reported by Hambitzer and g an aqueous ammonium acetate thermospray buffer solution, all detected or ammoniated species in the positive ion mode or as deprotonated or acetate adduct species in the negative ion mode. Radical cations or anions were not detected. Although {open_quotes}electrochemically assisted electrospray mass spectrometry{close_quotes} has been progressing for a few years, chiefly due to the pioneering efforts of Van Berkel and coworkers, on-line coupling electrochemistry with electrospray mass spectrometry (EC/ESMS) is still a developing area because of the experimental difficulties involved, such as high voltage hazard to the electrochemistry hardware (e.g. potentiostat), and MS signal suppression caused by the presence of high concentrations of supporting electrolytes. We report the coupling of an electrochemical device on-line with electrospray mass spectrometry (EC/ESMS) to extend the potential of ESMS to detect non-polar neutral compounds, and to monitor and identify intermediates and products generated by electrochemical reactions.

  18. 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.

  19. Department of Chemistry Mass Spectrometry Sample Submission Form

    E-Print Network [OSTI]

    Simons, Jack

    's ID. · You are responsible to pick up your samples within 7 days after the analysis. · Please call 801: [ ] Standard (LRMS) [ ] Exact Mass (HRMS) Ionization type: [ ] ESI [ ] MALDI [ ] EI (GC/MS only) Scans required

  20. 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.

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

    SciTech Connect (OSTI)

    Noyes, R.A.

    1993-01-01T23:59:59.000Z

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

  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. Tandem Mass Spectrometry for the Direct Assay of Lysosomal Enzymes in

    E-Print Network [OSTI]

    Gelb, Michael

    . Mucopolysaccharidosis type I (MPS-I)4 is a lysosomal storage disorder caused by the deficiency of -L- iduronidase (Id-Scheie syndromes. IdA is essential for the degradation within lysosomes of the glycosamino- glycans dermatan recognition of MPS-I. Flu- orometric, radiometric, and electrospray ionization­ tandem mass spectrometry (ESI

  5. FOCUS: HARSH ENVIRONMENT MASS SPECTROMETRY Field Testing of Lake Water Chemistry with a

    E-Print Network [OSTI]

    Entekhabi, Dara

    FOCUS: HARSH ENVIRONMENT MASS SPECTROMETRY Field Testing of Lake Water Chemistry with a Portable waters. KOALA is a backpackable MS operated from above the water surface, in which samples are pumped for temperature control of a membrane inlet when steep thermal gradients are present in a water body, as well

  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. Visual Steering and Verification of Mass Spectrometry Data Factorization in Air Quality Research

    E-Print Network [OSTI]

    Hamann, Bernd

    quality research involves the analysis of high-dimensional single particle mass spectrometry data. We data at significantly increased speed and a higher degree of ease. Index Terms--Dimension reduction of numerical error metrics, multi-dimensional data visualization. 1 INTRODUCTION Atmospheric particles increase

  10. Characterization of Individual Nanoparticles and Applications of Nanoparticles in Mass Spectrometry

    E-Print Network [OSTI]

    Rajagopal Achary, Sidhartha Raja

    2011-08-08T23:59:59.000Z

    information from single massive cluster impacts. The clusters used in this secondary ion mass spectrometry (SIMS) technique are Au4004+ and C60+. The ionized ejecta from each impact are recorded individually which allows to identify ions emitted from a surface...

  11. Conformational Analysis of Disordered Proteins Using H/D Exchange Mass Spectrometry

    E-Print Network [OSTI]

    Keppel, Theodore Robert

    2013-05-31T23:59:59.000Z

    . The application of hydrogen/deuterium exchange mass spectrometry (H/D-MS) to study IDPs is presented in this dissertation. Results that demonstrate improvements to the H/D-MS method are also presented. A thermoelectrically cooled refrigeration system was developed...

  12. ˛?˛Cf-plasma desorption mass spectrometry of RNA nucleosides

    E-Print Network [OSTI]

    Piper, Duane Gilbert

    1976-01-01T23:59:59.000Z

    ~ CH5 + CH3 CH3 + CH4 ~ C2H5 + H2 Proton or hydride transfer reactions of these secondary ions with the sample molecule produce the major portion of the CI mass spectra. Because the molecular ions are formed by these chemical reactions... low, and co'1'lisional deactivation between sample fons and air molecules results in a loss of intensity and resolution for the sample ions detected. -7 The vacuum in the mass spectrometer is maintained in the 10 16 torr region by a Sargent...

  13. 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.

  14. 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.

  15. National Centre for Biological Sciences Mass Spectrometry Facility

    E-Print Network [OSTI]

    Bhalla, Upinder S.

    : Sample Information Number of samples: Sample ID: Concentration: Solubility: Expected mass (Da): Molecular: Protein Peptide Lipid Nucleic acid Others (specify) Analysis Requirement ESI MS, low resolution ESI MS, high resolution LC-ESI MS LC-ESI MS/MS Others (specify) Signature of research supervisor: Signature

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

    E-Print Network [OSTI]

    DeBord, John 1986-

    2012-08-16T23:59:59.000Z

    in Figure VI-1 ................................................................................................ 166 VI-3 SI yields for samples containing various amounts of silver and gold on top of a PMMA film analyzed by massive gold clusters... and Bi+ ........ 169 VI-4 Negative mode mass spectrum from atomic-SIMS analysis of a PMMA surface ........................................................................................... 170 VI-5 Proposed structures for fragment ions...

  17. Explanatory Optimization of Protein Mass Spectrometry via Genetic Search

    E-Print Network [OSTI]

    Fernandez, Thomas

    of the mass spectrometer settings that accounts for much of this success. Specifically, the conditions of Wales, Aberystwyth, Ceredigion SY23 3DD, U.K. Optimizing experimental conditions for the effective analy that little or no a priori knowledge of the optimal conditions is available. There is much current interest

  18. Coulomb crystal mass spectrometry in a digital ion trap

    E-Print Network [OSTI]

    Deb, Nabanita; Smith, Alexander D; Keller, Matthias; Rennick, Christopher J; Heazlewood, Brianna R; Softley, Timothy P

    2015-01-01T23:59:59.000Z

    We present a mass spectrometric technique for identifying the masses and relative abundances of Coulomb-crystallized ions held in a linear Paul trap. A digital radiofrequency waveform is employed to generate the trapping potential, as this can be cleanly switched off, and static dipolar fields subsequently applied to the trap electrodes for ion ejection. Excellent detection efficiency is demonstrated for Ca+ and CaF+ ions from bi-component Ca+/CaF+ Coulomb crystals prepared by reaction of Ca+ with CH3F. A quantitative linear relationship is observed between ion number and the corresponding integrated TOF peak, independent of the ionic species. The technique is applicable to a diverse range of multi-component Coulomb crystals - demonstrated here for Ca+/NH3+/NH4+ and Ca+/CaOH+/CaOD+ crystals - and will facilitate the measurement of ion-molecule reaction rates and branching ratios in complicated reaction systems.

  19. 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.

  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. 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.

  2. 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

  3. 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.

  4. 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.

  5. 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...

  6. 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/

  7. 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.

  8. 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...

  9. 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.

  10. 2?52Cf plasma desorption mass spectrometry of metal clusters

    E-Print Network [OSTI]

    Hughes, Janita Muriel

    1991-01-01T23:59:59.000Z

    August 1991 Major Subject: Chemistry s Cf PLASMA DESORPTION MASS SPECTROMETRY OF METAL CLUSTERS A Thesis by JANITA MURIEL HUGHES Approved as to style and content by: R. D. ac ane (Chair of Co 'uee) J. P. Fac er (Member) A. . aray (Member) M... and negative ion spectra. However, close-packed complexes like [Pt (CO), g" form cluster cor- responding to the oligomeric species, [(Pt ), (CO)?], from n=2 to n=20. The latter structure contains 520 platinum atoms with an observed mass in excess of m/z 100...

  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. 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

  13. Automatic Gain Control in Mass Spectrometry using a Jet Disrupter Electrode in an Electrodynamic Ion Funnel

    SciTech Connect (OSTI)

    Page, Jason S.; Bogdanov, Bogdan; Vilkov, Andrey N.; Prior, David C.; Buschbach, Michael A.; Tang, Keqi; Smith, Richard D.

    2005-02-01T23:59:59.000Z

    We report on the use of a jet disrupter electrode in an electrodynamic ion funnel as an electronic valve to regulate the intensity of the ion beam transmitted through the interface of a mass spectrometer in order to perform automatic gain control (AGC). The ion flux is determined by either directly detecting the ion current on the conductance limiting orifice of the ion funnel or using a short mass spectrometry acquisition. Based upon the ion flux intensity, the voltage of the jet disrupter is adjusted to alter the transmission efficiency of the ion funnel to provide a desired ion population to the mass analyzer. Ion beam regulation by an ion funnel is shown to provide an unbiased control to within a few percent of a targeted ion intensity or abundance. The utility of ion funnel AGC was evaluated using a protein tryptic digest analyzed with liquid chromatography Fourier transform ion cyclotron resonance (LC-FTICR) mass spectrometry. The ion population in the ICR cell was accurately controlled to a variety of different levels, which improved data quality and provided better mass measurement accuracy.

  14. Secondary Ion Mass Spectrometry Imaging of Dictyostelium discoideum

    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:1 First Use of Energy for All Purposes (Fuel and Nonfuel),Feet) Year Jan Feb Mar Apr MayAtmosphericNuclear Security Administrationcontroller systemsBi (2) Sr (2)ScienceScientistsON THE ANALYSIS O Fcompleted;

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

    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:1 First Use of Energy for All Purposes (Fuel and Nonfuel),Feet) Year Jan Feb Mar Apr May JunDatastreamsmmcrcalgovInstrumentsruc Documentation RUCProductstwrmrAre the Effects ofAbout ScienceAbout Oak

  16. 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:1 First Use of Energy for All Purposes (Fuel and Nonfuel),Feet) Year Jan Feb Mar Apr MayAtmospheric Optical Depth (AOD)ProductssondeadjustsondeadjustAbout theOFFICEAmes Laboratory Site| DepartmentInformation Systems

  17. 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.

  18. 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.

  19. Nanoelectrospray ion generation for high-throughput mass spectrometry using a micromachined ultrasonic ejector array

    SciTech Connect (OSTI)

    Aderogba, S.; Meacham, J.M.; Degertekin, F.L.; Fedorov, A.G.; Fernandez, F.M. [G.W. Woodruff School of Mechanical Engineering, Georgia Institute of Technology, Atlanta, Georgia 30332 (United States); School of Chemistry and Biochemistry, Georgia Institute of Technology, Atlanta, Georgia 30332 (United States)

    2005-05-16T23:59:59.000Z

    Ultrasonic electrospray ionization (ESI) for high-throughput mass spectrometry is demonstrated using a silicon micromachined microarray. The device uses a micromachined ultrasonic atomizer operating in the 900 kHz-2.5 MHz range for droplet generation and a metal electrode in the fluid cavity for ionization. Since the atomization and ionization processes are separated, the ultrasonic ESI source shows the potential for operation at low voltages with a wide range of solvents in contrast with conventional capillary ESI technology. This is demonstrated using the ultrasonic ESI microarray to obtain the mass spectrum of a 10 {mu}M reserpine sample on a time of flight mass spectrometer with 197:1 signal-to-noise ratio at an ionization potential of 200 V.

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

    SciTech Connect (OSTI)

    Jayasekharan, T.; Sahoo, N. K. [Applied Spectroscopy Division, Bhabha Atomic Research Centre, Mumbai 400 085 (India)

    2013-02-05T23:59:59.000Z

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

  1. Using electrospray ionization FTICR mass spectrometry to study competitive binding of inhibitors to carbonic anhydrase

    SciTech Connect (OSTI)

    Cheng, X.; Chen, R.; Bruce, J.E.; Schwartz, B.L.; Anderson, G.A.; Hofstadler, S.A.; Gale, D.C.; Smith, R.D. [Pacific Northwest Lab., Richland, WA (United States); Gao, J.; Sigal, G.B.; Mammen, M.; Whitesides, G.M. [Harvard Univ., Cambridge, MA (United States)

    1995-08-30T23:59:59.000Z

    We report a method based on mass spectrometry for the characterization of noncovalent complexes of proteins with mixtures of ligands; this method is relevant to the study of drug leads and may be useful in screening libraries for tight-binding compounds. This study describes the competitive binding of inhibitors derived from para-substituted benzenesulfonamides to bovine carbonic anhydrase II (BCAII, EC 4.2.1.1) using this technique. Relative binding constants and structural information for a mixture of inhibitors can be obtained in a single experiment using ESI-FTICR-MS. The work demonstrates that ESI-MS has significant potential for measuring relative binding affinities and characterizing the structures of ligands associated noncovalently to proteins. We have detected noncovalent complexes in the gas phase for ligands having values of K{sub b} as low as 1.7 x 10{sup 6} M{sup -1} in solution. The technique also allowed identification of tightbinding ligands from small libraries. The structures of inhibitors having similar masses can be identified by the high-resolution and multistep dissociation mass spectrometry of which FTICR is uniquely capable. This range of capabilities for ESI-FTICR-MS should be widely useful in medicinal chemistry. 22 refs., 2 figs.

  2. 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.

  3. 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.

  4. 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...

  5. 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'.

  6. 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%.

  7. 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

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

    E-Print Network [OSTI]

    Suen, Timothy Wu

    2012-01-01T23:59:59.000Z

    1.4.2 Atomic Absorption5.3.2 Atomic Absorption Spectrometry . . . . . . . . . . .ablation and diode laser-atomic absorption spectrometry”,

  9. On-line microdialysis sample cleanup for electrospray ionization mass spectrometry of nucleic acid samples

    SciTech Connect (OSTI)

    Liu, C.; Wu, Q.; Harms, A.C.; Smith, R.D. [Pacific Northwest National Lab., Richland, WA (United States)] [Pacific Northwest National Lab., Richland, WA (United States)

    1996-09-15T23:59:59.000Z

    A major limitation of electrospray ionization mass spectrometry (ESI-MS) for oligonucleotide analysis arises due to sodium adduction, a problem that increases with molecular weight. Sodium adduction can preclude useful measurements when limited sample sizes prevent off-line cleanup. A novel and generally useful on-line microdialysis technique is described for the rapid (nearly 1-5 min) DNA sample cleanup for ESI-MS. Mass spectra of oligonucleotides of different size and sequence showing no significant sodium adduct peaks were obtained using the on-line microdialysis system with sodium chloride concentrations as high as 250 mM. Signal-to-noise ratios were also greatly enhanced compared to direct infusion of the original samples. By using ammonium acetate as the dialysis buffer, it was also found that the noncovalent association of double-stranded oligonucleotides could be preserved during the microdialysis process, allowing analysis by ESI-MS. 33 refs., 6 figs.

  10. Biases in Ion Transmission Through an Electrospray Ionization-Mass Spectrometry Capillary Inlet

    SciTech Connect (OSTI)

    Page, Jason S.; Marginean, Ioan; Baker, Erin Shammel; Kelly, Ryan T.; Tang, Keqi; Smith, Richard D.

    2009-12-01T23:59:59.000Z

    The standard heated capillary inlet of an electrospray ionization mass spectrometry (ESI-MS) interface was compared with shorter versions of the inlet to determine the effects on transmission and ionization efficiencies for low-flow electrosprays. The primary finding of the study was a large bias towards higher mobility species in the electrospray current losses to the inside walls of the inlet. The transmission efficiency increased with decreasing capillary length due to reduced losses along the capillary. A decrease in transmission efficiency was also confirmed for electrosprays of higher conductivity solvents. A direct correlation between mass spectrometry sensitivity and the transmitted electrospray current was not observed as some analytes showed little to no increase in sensitivity while others showed as high as a 15 – fold increase. The variation was shown to at least be partially dependent on the analytes’ mobilities. Higher mobility analytes demonstrated a larger increase in sensitivity when shorter inlets were used. The results indicate that considerable biases against higher mobility species can be produced by the use of long capillary inlets in the ESI-MS interface and strategies are provided to minimize the bias against higher mobility species for efficient ion transmission through the heated capillary interface.

  11. 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.

  12. 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.

  13. 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

  14. Advanced Mass Calibration and Visualization for FT-ICR 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:1 First Use of Energy for All Purposes (Fuel and Nonfuel),Feet) Year Jan Feb Mar Apr May JunDatastreamsmmcrcalgovInstrumentsruc Documentation RUCProductstwrmrAre theAdministrator ReferencesalkaliAdvanced MagneticImaging. |

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

    E-Print Network [OSTI]

    American Society for Testing and Materials. Philadelphia

    2008-01-01T23:59:59.000Z

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

  16. Chemical crosslinking and mass spectrometry studies of the structure and dynamics of membrane proteins and receptors.

    SciTech Connect (OSTI)

    Haskins, William E.; Leavell, Michael D.; Lane, Pamela; Jacobsen, Richard B.; Hong, Joohee; Ayson, Marites J.; Wood, Nichole L.; Schoeniger, Joseph S.; Kruppa, Gary Hermann; Sale, Kenneth L.; Young, Malin M.; Novak, Petr

    2005-03-01T23:59:59.000Z

    Membrane proteins make up a diverse and important subset of proteins for which structural information is limited. In this study, chemical cross-linking and mass spectrometry were used to explore the structure of the G-protein-coupled photoreceptor bovine rhodopsin in the dark-state conformation. All experiments were performed in rod outer segment membranes using amino acid 'handles' in the native protein sequence and thus minimizing perturbations to the native protein structure. Cysteine and lysine residues were covalently cross-linked using commercially available reagents with a range of linker arm lengths. Following chemical digestion of cross-linked protein, cross-linked peptides were identified by accurate mass measurement using liquid chromatography-fourier transform mass spectrometry and an automated data analysis pipeline. Assignments were confirmed and, if necessary, resolved, by tandem MS. The relative reactivity of lysine residues participating in cross-links was evaluated by labeling with NHS-esters. A distinct pattern of cross-link formation within the C-terminal domain, and between loop I and the C-terminal domain, emerged. Theoretical distances based on cross-linking were compared to inter-atomic distances determined from the energy-minimized X-ray crystal structure and Monte Carlo conformational search procedures. In general, the observed cross-links can be explained by re-positioning participating side-chains without significantly altering backbone structure. One exception, between C3 16 and K325, requires backbone motion to bring the reactive atoms into sufficient proximity for cross-linking. Evidence from other studies suggests that residues around K325 for a region of high backbone mobility. These findings show that cross-linking studies can provide insight into the structural dynamics of membrane proteins in their native environment.

  17. 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)

  18. Characterization of the microdialysis junction interface for capillary electrophoresis/microelectrospray ionization mass spectrometry

    SciTech Connect (OSTI)

    Severs, J.C.; Smith, R.D. [Pacific Northwest National Lab., Richland, WA (United States)] [Pacific Northwest National Lab., Richland, WA (United States)

    1997-06-01T23:59:59.000Z

    A capillary electrophoresis/electrospray ionization mass spectrometry (CE/ESI-MS) interface, based on an electric circuit across a microdialysis membrane surrounding a short capillary segment closely connected to the separation capillary terminus, is demonstrated to be sensitive, efficient, and rugged. A microspray type ionization emitter produces a stable electrospray at the low flow rates provided by CE and thus avoids both the need for a makeup liquid flow provided by liquid junction or sheath flow interfaces and the subsequent dilution and reduction in sensitivity. Reproducibility studies and comparisons with CE/UV and the CE/sheath flow interface with ESI-MS are presented. Additionally, postrun acidification via the microdialysis junction interface is demonstrated and shown to be capable of denaturing the holomyoglobin protein noncovalent complex while maintaining separation efficiency. 21 refs., 7 figs., 1 tab.

  19. 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.

  20. 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.

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

    SciTech Connect (OSTI)

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

    2014-12-01T23:59:59.000Z

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

  2. Characterization of Coordination Complexes by Desorption Electrospray Mass Spectrometry with a Capillary Target

    SciTech Connect (OSTI)

    Gary S. Groenewold; Anthony D. Appelhans; Michael E. McIlwain; Garold L. Gresham

    2011-03-01T23:59:59.000Z

    Metal coordination complexes were formed directly from liquid surfaces using desorption electrospray ionization (DESI) mass spectrometry. The approach is attractive because it separates complexities of ESI spray droplet formation from delivery of the analyte solution, and thereby gets around difficulty resulting from alteration of the spray process by changes in solution chemistry. Cs+, Ba2+, and La3+ coordination complexes were formed using 18-crown-6 (18c6) and triethylphosphate (TEP) as ligands (L), that had the general formula [Mn+(NO3-)n-1(L)m]+. Formation of singly charged cation complexes was preferred, with charge reduction at the metal site accomplished by attachment of nitrate. Using TEP as a model phosphoryl ligand, alkali metals coordinate with up to three ligands, with Cs+ preferring fewer than Na+. Ba2+ and La3+ are formed as ion pair complexes [Ba(NO3)]+ and [La(NO3)2]+, and both will coordinate with up to four TEP ligands. Using 18c6, Cs+ forms a bis-ligand complex. In contrast, [Ba(NO3)]+ prefers a single 18c6 ligand, while La forms mainly [La(NO3)2(18c6)]+, for which DFT calculations suggested a structure in which the nitrate ligands occupy pseudo-axial positions on opposing sides of the crown. Lower abundances of bis-18c6 complexes were also formed together with doubly charged [La(NO3)(18c6)n]2+ complexes (n = 2 – 4). The results suggest an alternative strategy for probing metal speciation in solution that is less perturbed by the droplet formation and ionization mechanisms operating in conventional electrospray ionization mass spectrometry.

  3. 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.

  4. 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.

  5. 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.

  6. 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.

  7. 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...

  8. Observation of a noncovalent ribonuclease S-protein/S-peptide complex by electrospray ionization mass spectrometry

    SciTech Connect (OSTI)

    Loo, R.R.O.; Goodlett, D.R.; Smith, R.D.; Loo, J.A. (Pacific Northwest Lab., Richland, WA (United States))

    1993-05-19T23:59:59.000Z

    Electrospray ionization mass spectrometry (ESI-MS) investigations of noncovalently-bound complexes are of great interest because of their relevance to solution biochemistry. ESI-MS is particularly well suited to studies of weak interactions because it is very gentle and it allows studies to be performed under physiological or near-physiological solution conditions. However, it is not yet fully understood which weakly-bound complexes known to exist in solution will be observable by ESI-MS, or what minimum binding strength may be required for ESI-MS observation. Also unclear is whether complexes observed by ESI-MS reflect only species present in the bulk solution, or whether complexes also reflect aggregation in electrospray-generated microdroplets. We address some of these issues by employing ribonuclease S (RNase-S) as a test of the applicability of ESI-MS for analysis of noncovalent complexes. These results show that the ESI mass spectra of R Nase-S can reflect the specificity of binding in solution. 33 refs., 2 figs.

  9. Control of Analyte Electrolysis in Electrospray Ionization Mass Spectrometry Using Repetitively Pulsed High Voltage

    SciTech Connect (OSTI)

    Kertesz, Vilmos [ORNL; Van Berkel, Gary J [ORNL

    2011-01-01T23:59:59.000Z

    Analyte electrolysis using a repetitively pulsed high voltage ion source was investigated and compared to that using a regular, continuously operating direct current high voltage ion source in electrospray ionization mass spectrometry. The extent of analyte electrolysis was explored as a function of the length and frequency of the high voltage pulse using the model compound reserpine in positive ion mode. Using +5 kV as the maximum high voltage amplitude, reserpine was oxidized to its 2, 4, 6 and 8-electron oxidation products when direct current high voltage was employed. In contrast, when using a pulsed high voltage, oxidation of reserpine was eliminated by employing the appropriate high voltage pulse length and frequency. This effect was caused by inefficient mass transport of the analyte to the electrode surface during the duration of the high voltage pulse and the subsequent relaxation of the emitter electrode/ electrolyte interface during the time period when the high voltage was turned off. This mode of ESI source operation allows for analyte electrolysis to be quickly and simply switched on or off electronically via a change in voltage pulse variables.

  10. 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.

  11. 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.

  12. 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.

  13. Ionization and transmission efficiency in an electrospray ionization-mass spectrometry interface

    SciTech Connect (OSTI)

    Page, Jason S.; Kelly, Ryan T.; Tang, Keqi; Smith, Richard D.

    2007-09-01T23:59:59.000Z

    The efficiency of sample ionization by electrospray ionization (ESI) and the transmission of the charged droplets and gas-phase ions through an ESI interface were investigated in order to advance the understanding of how these factors affect mass spectrometry (MS) sensitivity. In addition, the effects of the ES emitter distance to the inlet, solution flow rate, and inlet temperature to the ionization and transmission efficiency were characterized. Quantitative measurements of ES current loss throughout the ESI interface were accomplished by electrically isolating the front surface of the interface from the inner wall of the heated inlet capillary, enabling losses on the two surfaces to be distinguished. The ES current lost to the front surface of the ESI interface was also spatially profiled with a linear array of 340-µm-dia. electrodes placed adjacent to the inlet capillary entrance. Current transmitted as gas-phase ions was differentiated from charged droplets and solvent clusters by directly measuring sensitivity with a single quadrupole mass spectrometer. The study has revealed a large sampling efficiency into the inlet capillary (>90% at an emitter distance of 1 mm), a global rather than a local gas dynamic effect on the shape of the ES plume due to the gas flow conductance limit of the inlet capillary, a large (>80%) loss of analyte after transmission through the inlet due to incomplete desolvation at a solution flow rate of 1.0 µL/min, and a decrease in analyte peak intensity at lower temperatures, despite a large increase in ES current transmission efficiency. These studies provide a clearer understanding of the parameters affecting ion transmission into the mass spectrometer, and will serve to guide the design of more efficient instrument interfaces.

  14. 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.

  15. 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.

  16. 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

  17. Observation of the noncovalent quaternary associations of proteins by electrospray ionization mass spectrometry

    SciTech Connect (OSTI)

    Light-Wahl, K.J.; Schwartz, B.L.; Smith, R.D. (Pacific Northwest Lab., Richland, WA (United States))

    1994-06-15T23:59:59.000Z

    The noncovalent tetrameric active forms of avidin, concanavalin A (Con A), and adult human hemoglobin (HbA[sub 0]) can be observed intact in the gas phase by electrospray ionization mass spectrometry (ESI-MS). The atmosphere-vacuum ESI interface conditions strongly influence the retention of these weak noncovalent solution associations into the gas phase, as well as the average extent of charging for the subunits upon dissociation. The known solution pH dependence of the dimer-tetramer equilibrium of Con A was observed by ESI-MS, and the intact heterodimeric and -tetrameric active forms of adult human HbA[sub 0], ([alpha][beta]) and ([alpha][beta])[sub 2], with the prosthetic heme groups could also be characterized by ESI-MS. Under harsher interface conditions a species corresponding to a trimer was observed for each of the proteins, a species not known to be formed under physiological conditions. Differences in the relative stabilities of these tetrameric proteins, formed from the known solution structures, are also qualitatively consistent with the gas-phase stability observed with ESI-MS by adjusting the atmosphere-vacuum interface conditions. The hemoglobin tetramer was found to be less stable in the gas phase than either the Con A or avidin tetramer, consistent with solution dissociation constants. 21 refs., 14 figs.

  18. 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.

  19. 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...

  20. 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...

  1. 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.

  2. Electrospray Ionization Mass Spectrometry: From Cluster Ions to Toxic metal Ions in Biology

    SciTech Connect (OSTI)

    Nicholas B. Lentz

    2007-12-01T23:59:59.000Z

    This dissertation focused on using electrospray ionization mass spectrometry to study cluster ions and toxic metal ions in biology. In Chapter 2, it was shown that primary, secondary and quarternary amines exhibit different clustering characteristics under identical instrument conditions. Carbon chain length also played a role in cluster ion formation. In Chapters 3 and 4, the effects of solvent types/ratios and various instrumental parameters on cluster ion formation were examined. It was found that instrument interface design also plays a critical role in the cluster ion distribution seen in the mass spectrum. In Chapter 5, ESI-MS was used to investigate toxic metal binding to the [Gln{sup 11}]-amyloid {beta}-protein fragment (1-16). Pb and Cd bound stronger than Zn, even in the presence of excess Zn. Hg bound weaker than Zn. There are endless options for future work on cluster ions. Any molecule that is poorly ionized in positive ion mode can potentially show an increase in ionization efficiency if an appropriate anion is used to produce a net negative charge. It is possible that drug protein or drug/DNA complexes can also be stabilized by adding counter-ions. This would preserve the solution characteristics of the complex in the gas phase. Once in the gas phase, CID could determine the drug binding location on the biomolecule. There are many research projects regarding toxic metals in biology that have yet to be investigated or even discovered. This is an area of research with an almost endless future because of the changing dynamics of biological systems. What is deemed safe today may show toxic effects in the future. Evolutionary changes in protein structures may render them more susceptible to toxic metal binding. As the understanding of toxicity evolves, so does the demand for new toxic metal research. New instrumentation designs and software make it possible to perform research that could not be done in the past. What was undetectable yesterday will become routine tomorrow.

  3. 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.

  4. 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.

  5. 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.

  6. 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.

  7. Fully Automated Laser Ablation Liquid Capture Sample Analysis using NanoElectrospray Ionization Mass Spectrometry

    SciTech Connect (OSTI)

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

    2014-01-01T23:59:59.000Z

    RATIONALE: Laser ablation provides for the possibility of sampling a large variety of surfaces with high spatial resolution. This type of sampling when employed in conjunction with liquid capture followed by nanoelectrospray ionization provides the opportunity for sensitive and prolonged interrogation of samples by mass spectrometry as well as the ability to analyze surfaces not amenable to direct liquid extraction. METHODS: A fully automated, reflection geometry, laser ablation liquid capture spot sampling system was achieved by incorporating appropriate laser fiber optics and a focusing lens into a commercially available, liquid extraction surface analysis (LESA ) ready Advion TriVersa NanoMate system. RESULTS: Under optimized conditions about 10% of laser ablated material could be captured in a droplet positioned vertically over the ablation region using the NanoMate robot controlled pipette. The sampling spot size area with this laser ablation liquid capture surface analysis (LA/LCSA) mode of operation (typically about 120 m x 160 m) was approximately 50 times smaller than that achievable by direct liquid extraction using LESA (ca. 1 mm diameter liquid extraction spot). The set-up was successfully applied for the analysis of ink on glass and paper as well as the endogenous components in Alstroemeria Yellow King flower petals. In a second mode of operation with a comparable sampling spot size, termed laser ablation/LESA , the laser system was used to drill through, penetrate, or otherwise expose material beneath a solvent resistant surface. Once drilled, LESA was effective in sampling soluble material exposed at that location on the surface. CONCLUSIONS: Incorporating the capability for different laser ablation liquid capture spot sampling modes of operation into a LESA ready Advion TriVersa NanoMate enhanced the spot sampling spatial resolution of this device and broadened the surface types amenable to analysis to include absorbent and solvent resistant materials.

  8. 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.

  9. Copyright0 1988by San FranciscoPress,Inc., BOX6800, San Franc&o, CA 94101&fM, USA Laser Microprobe Mass Spectrometry

    E-Print Network [OSTI]

    Vertes, Akos

    Copyright0 1988by San FranciscoPress,Inc., BOX6800, San Franc&o, CA 94101&fM, USA 10 Laser. Bennett, W. Lauwers, A. Vertes, and R. Gijbels Laser microprobe mass spectrometry (LMMS)em- ploys

  10. {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.

  11. Analysis of liquified coal for nitrogenous bases; separation by high performance liquid chromatography and identification by probe microdistillation/mass spectrometry

    E-Print Network [OSTI]

    Schronk, Leonard Royce

    1978-01-01T23:59:59.000Z

    ANALYSIS OF LIQUIFIED COAL FOR NITROGENOUS BASES; SEPARATION BY HIGH PERFORMANCE LIQUID CHROMATOGRAPHY AND IDENTIFICATION BY PROBE MICRODISTILLATION/MASS SPECTROMETRY A Thesis by LEONARD ROYCE SCHRONK Submitted to the Graduate College... AND IDENTIFICATION BY PROBE MICRODISTILLATION/MASS SPECTROMETRY A Thesis by LEONARD ROYCE SCHRONK Approved as to style and content by: Co-Charrman o Commlxtte ) (Co-Chazrman o Committee Me er Hea of Department December 1978 ABSTRACT Analysis of Liquified...

  12. 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. The instrument incorporates...

  13. 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.

  14. 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.

  15. 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.

  16. Determination of naphthenic acids in California crudes and refinery waste waters by fluoride ion chemical ionization mass spectrometry

    SciTech Connect (OSTI)

    Dzidic, I.; Somerville, A.C.; Raia, J.C.; Hart, H.V.

    1988-07-01T23:59:59.000Z

    A method based on negative ion chemical ionization mass spectrometry using fluoride (F/sup -/) ions produced from NF/sub 3/ reagent gas has been applied to the analysis of naphthenic acids in California crude oils and refinery waste waters. Since complex mixtures of naphthenic acids cannot be separated into individual components, only the determination of relative distribution of acids classified by the hydrogen deficiency was possible. The identities and relative distribution of paraffinic and mono-, di-, tri, and higher polycyclic acids were obtained from the intensities of the carboxylate (RCOO/sup -/) ions.

  17. 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...

  18. 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

  19. 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.

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

    SciTech Connect (OSTI)

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

    2015-01-01T23:59:59.000Z

    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.

  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. High Precision Atomic Mass Spectrometry with Applications to Neutrino Physics, Fundamental Constants and Physical Chemistry.

    E-Print Network [OSTI]

    Mount, Brianna Jane

    2010-01-01T23:59:59.000Z

    ?? The Florida State University single-ion cryogenic Penning trap mass spectrometer has been used to precisely measure the masses of the doublets 76Ge/76Se and 74Ge/74Se… (more)

  3. Calculation of nuclear masses using image reconstruction techniques

    SciTech Connect (OSTI)

    Barea, J.; Frank, A.; Hirsch, J. G.; Lopez, J. C.; Morales, I.; Mendoza, J. [Instituto de Ciencias Nucleares, Universidad Nacional Autonoma de Mexico, Apartado Postal 70-543, 04510 Mexico, D.F. (Mexico); Velazquez, V. [Facultad de Ciencias, Universidad Nacional Autonoma de Mexico, 04510 Mexico, D.F. (Mexico)

    2007-10-26T23:59:59.000Z

    Several methods have been developed to calculate and predict nuclear masses over the last 70 years. The accuracy of the present state-of-the-art nuclear mass models is impressive, because these quantities can be calculated with an average 0.05 % precision. However this precision level is still insufficient to deal with nuclear reactions of astrophysical interest, especially r-process ones. Different approaches exist to calculate nuclear masses, ranging from the simple Bethe-Weizsaecker Liquid Drop Formula (LDM) to the sophisticated Finite Range Droplet Model calculations or the microscopic Hartree-Fock-Bogoliuvob techniques from first principles, using Skyrme or Gogny parametrizations of the nucleon-nucleon interaction. Here we suggest a new method to calculate this fundamental property of the atomic nucleus, using a completely phenomenological point of view. Our method is based in the analysis of the differences between measured masses and LDM predictions, which contains information related to those ingredients not taken into account in the LDM formula, such as shell closures, nuclear deformations and residual nuclear interactions. The differences are arranged in a two dimensional plot which can be viewed as an incomplete image of the full chart of nuclides, equivalent to a product of the full image and a binary mask. In order to remove the distortions produced by this mask we employ an algorithm, well known in astronomy, used to remove artificial effects present in the astrophysical images collected through telescopes. This algorithm is called the CLEAN method. It is one of a number of methods which exists to deconvolve undesirable effects in images and to extrapolate or reconstruct missing parts in them. By using the CLEAN method we can fit measured masses with an r.m.s error of less than 100 keV. We have performed several checks and concluded that its utilization must be carried out carefully in order to obtain reliable results in the zone of unknown masses between the driplines. We also outline potential applications of the present approach.

  4. 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...

  5. 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.; Guimarăes, 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.

  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 Ĺ 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 Ĺ 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 Ĺ. For DSS or BS3, this corresponds to a C? to C? distance of 30.4 Ĺ. 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. Improving the Sensitivity of Mass Spectrometry by Using a New Sheath Flow Electrospray Emitter Array at Subambient Pressures

    SciTech Connect (OSTI)

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

    2014-12-01T23:59:59.000Z

    Arrays of chemically etched emitters with individualized sheath gas capillaries have been developed to enhance electrospray ionization (ESI) at subambient pressures. By including an emitter array in a subambient pressure ionization with nanoelectrospray (SPIN) source, ionization and transmission efficiency can be maximized allowing for increased sensitivity in mass spectrometric analyses. The SPIN source eliminates the major ion losses at conventional ESI-mass spectrometry (MS) interface by placing the emitter in the first vacuum region of the instrument. To facilitate stable electrospray currents in such conditions we have developed an improved emitter array with individualized sheath gas around each emitter. The utility of the new emitter arrays for generating stable multi-electrosprays at subambient pressures was probed by coupling the emitter array/SPIN source with a time of flight (TOF) mass spectrometer. The instrument sensitivity was compared between single emitter/SPIN-MS and multi-emitter/SPIN-MS configurations using an equimolar solution of 9 peptides. An increase in sensitivity correlative to the number of emitters in the array was observed.

  8. 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

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

    E-Print Network [OSTI]

    Kroll, Jesse

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

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

    E-Print Network [OSTI]

    Rebecchi, Kathryn

    2011-05-31T23:59:59.000Z

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

  11. 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 ...

  12. 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 ...

  13. New Mass and Lifetime Measurements of $^{152}$Sm Projectile Fragments with Time-Resolved Schottky Mass Spectrometry

    E-Print Network [OSTI]

    Yu. A. Litvinov; F. Bosch; H. Geissel; H. Weick; K. Beckert; P. Beller; D. Boutin; C. Brandau; L. Chen; O. Klepper; R. Knöbel; C. Kozhuharov; J. Kurcewicz; S. A. Litvinov; M. Mazzocco; G. Münzenberg; C. Nociforo; F. Nolden; W. Plaß; C. Scheidenberger; M. Steck; B. Sun; M. Winkler

    2005-09-15T23:59:59.000Z

    The FRS-ESR facilities at GSI provide unique conditions for precision measurements with stored exotic nuclei over a large range in the chart of nuclides. In the present experiment the exotic nuclei were produced via fragmentation of $^{152}$Sm projectiles in a thick beryllium target at 500-600 MeV/u, separated in-flight with the fragment separator FRS, and injected into the storage-cooler ring ESR. Mass and lifetime measurements have been performed with bare and few-electron ions. The experiment and first results will be presented in this contribution.

  14. 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

  15. 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

  16. 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.

  17. 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.

  18. 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).

  19. Precise ruthenium fission product isotopic analysis using dynamic reaction cell inductively coupled plasma mass spectrometry (DRC-ICP-MS)

    SciTech Connect (OSTI)

    Brown, Christopher F.; Dresel, P. Evan; Geiszler, Keith N.; Farmer, Orville T.

    2006-05-09T23:59:59.000Z

    99Tc is a subsurface contaminant of interest at numerous federal, industrial, and international facilities. However, as a mono-isotopic fission product, 99Tc lacks the ability to be used as a signature to differentiate between the different waste disposal pathways that could have contributed to subsurface contamination at these facilities. Ruthenium fission-product isotopes are attractive analogues for the characterization of 99Tc sources because of their direct similarity to technetium with regard to subsurface mobility, and their large fission yields and low natural background concentrations. We developed an inductively coupled plasma mass spectrometry (ICP-MS) method capable of measuring ruthenium isotopes in groundwater samples and extracts of vadose zone sediments. Samples were analyzed directly on a Perkin Elmer ELAN DRC II ICP-MS after a single pass through a 1-ml bed volume of Dowex AG 50W-X8 100-200 mesh cation exchange resin. Precise ruthenium isotopic ratio measurements were achieved using a low-flow Meinhard-type nebulizer and long sample acquisition times (150,000 ms). Relative standard deviations of triplicate replicates were maintained at less than 0.5% when the total ruthenium solution concentration was 0.1 ng/ml or higher. Further work was performed to minimize the impact caused by mass interferences using the dynamic reaction cell (DRC) with O2 as the reaction gas. The aqueous concentrations of 96Mo and 96Zr were reduced by more than 99.7% in the reaction cell prior to injection of the sample into the mass analyzer quadrupole. The DRC was used in combination with stable-mass correction to quantitatively analyze samples containing up to 2-orders of magnitude more zirconium and molybdenum than ruthenium. The analytical approach documented herein provides an efficient and cost-effective way to precisely measure ruthenium isotopes and quantitate total ruthenium (natural vs. fission-product) in aqueous matrixes.

  20. 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.

  1. 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

    mainly metal oxides. On the other hand, positive clusters ions from the group IIB of the periodic table were mainly mirror images of the negative spectra. These differences suggest that the bonding characteristics of the metal ion play an important role...

  2. 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.

  3. Combining Laser Ablation/Liquid Phase Collection Surface Sampling and High-Performance Liquid Chromatography Electrospray Ionization Mass Spectrometry

    SciTech Connect (OSTI)

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

    2011-01-01T23:59:59.000Z

    This paper describes the coupling of ambient pressure transmission geometry laser ablation with a liquid phase sample collection method for surface sampling and ionization with subsequent mass spectral analysis. A commercially available autosampler was adapted to produce a liquid droplet at the end of the syringe injection needle while in close proximity to the surface to collect the sample plume produced by laser ablation. The sample collection was followed by either flow injection or a high performance liquid chromatography (HPLC) separation of the extracted components and detection with electrospray ionization mass spectrometry (ESI-MS). To illustrate the analytical utility of this coupling, thin films of a commercial ink sample containing rhodamine 6G and of mixed isobaric rhodamine B and 6G dyes on glass microscope slides were analyzed. The flow injection and HPLC/ESI-MS analysis revealed successful laser ablation, capture and, with HPLC, the separation of the two compounds. The ablated circular area was about 70 m in diameter for these experiments. The spatial sampling resolution afforded by the laser ablation, as well as the ability to use sample processing methods like HPLC between the sample collection and ionization steps, makes this combined surface sampling/ionization technique a highly versatile analytical tool.

  4. Cadmium binding studies to the earthworm Lumbricus rubellus metallothionein by electrospray mass spectrometry and circular dichroism spectroscopy

    SciTech Connect (OSTI)

    Ngu, Thanh T. [Department of Chemistry, University of Western Ontario, London, Ont., N6A 5B7 (Canada); Sturzenbaum, Stephen R. [School of Biomedical and Health Sciences, King's College, London, SE1 9NH (United Kingdom); Stillman, Martin J. [Department of Chemistry, University of Western Ontario, London, Ont., N6A 5B7 (Canada)]. E-mail: Martin.Stillman@uwo.ca

    2006-12-08T23:59:59.000Z

    The earthworm Lumbricus rubellus has been found to inhabit cadmium-rich soils and accumulate cadmium within its tissues. Two metallothionein (MT) isoforms (1 and 2) have been identified and cloned from L. rubellus. In this study, we address the metalation status, metal coordination, and structure of recombinant MT-2 from L. rubellus using electrospray ionization mass spectrometry (ESI-MS), UV absorption, and circular dichroism (CD) spectroscopy. This is the first study to show the detailed mass and CD spectral properties for the important cadmium-containing earthworm MT. We report that the 20-cysteine L. rubellus MT-2 binds seven Cd{sup 2+} ions. UV absorption and CD spectroscopy and ESI-MS pH titrations show a distinct biphasic demetalation reaction, which we propose results from the presence of two metal-thiolate binding domains. We propose stoichiometries of Cd{sub 3}Cys{sub 9} and Cd{sub 4}Cys{sub 11} based on the presence of 20 cysteines split into two isolated regions of the sequence with 11 cysteines in the N-terminal and 9 cysteines in the C-terminal. The CD spectrum reported is distinctly different from any other metallothionein known suggesting quite different binding site structure for the peptide.

  5. Analyzing Nuclear Fuel Cycles from Isotopic Ratios of Waste Products Applicable to Measurement by Accelerator Mass Spectrometry

    SciTech Connect (OSTI)

    Biegalski, S R; Whitney, S M; Buchholz, B

    2005-08-24T23:59:59.000Z

    An extensive study was conducted to determine isotopic ratios of nuclides in spent fuel that may be utilized to reveal historical characteristics of a nuclear reactor cycle. This forensic information is important to determine the origin of unknown nuclear waste. The distribution of isotopes in waste products provides information about a nuclear fuel cycle, even when the isotopes of uranium and plutonium are removed through chemical processing. Several different reactor cycles of the PWR, BWR, CANDU, and LMFBR were simulated for this work with the ORIGEN-ARP and ORIGEN 2.2 codes. The spent fuel nuclide concentrations of these reactors were analyzed to find the most informative isotopic ratios indicative of irradiation cycle length and reactor design. Special focus was given to long-lived and stable fission products that would be present many years after their creation. For such nuclides, mass spectrometry analysis methods often have better detection limits than classic gamma-ray spectroscopy. The isotopic ratios {sup 151}Sm/{sup 146}Sm, {sup 149}Sm/{sup 146}Sm, and {sup 244}Cm/{sup 246}Cm were found to be good indicators of fuel cycle length and are well suited for analysis by accelerator mass spectroscopy.

  6. Development of high-spatial and high-mass resolution mass spectrometric imaging (MSI) and its application to the study of small metabolites and endogenous molecules of plants

    SciTech Connect (OSTI)

    Jun, Ji Hyun

    2011-11-30T23:59:59.000Z

    High-spatial and high-mass resolution laser desorption ionization (LDI) mass spectrometric (MS) imaging technology was developed for the attainment of MS images of higher quality containing more information on the relevant cellular and molecular biology in unprecedented depth. The distribution of plant metabolites is asymmetric throughout the cells and tissues, and therefore the increase in the spatial resolution was pursued to reveal the localization of plant metabolites at the cellular level by MS imaging. For achieving high-spatial resolution, the laser beam size was reduced by utilizing an optical fiber with small core diameter (25 ?m) in a vacuum matrix-assisted laser desorption ionization-linear ion trap (vMALDI-LTQ) mass spectrometer. Matrix application was greatly improved using oscillating capillary nebulizer. As a result, single cell level spatial resolution of ~ 12 ?m was achieved. MS imaging at this high spatial resolution was directly applied to a whole Arabidopsis flower and the substructures of an anther and single pollen grains at the stigma and anther were successfully visualized. MS imaging of high spatial resolution was also demonstrated to the secondary roots of Arabidopsis thaliana and a high degree of localization of detected metabolites was successfully unveiled. This was the first MS imaging on the root for molecular species. MS imaging with high mass resolution was also achieved by utilizing the LTQ-Orbitrap mass spectrometer for the direct identification of the surface metabolites on the Arabidopsis stem and root and differentiation of isobaric ions having the same nominal mass with no need of tandem mass spectrometry (MS/MS). MS imaging at high-spatial and high-mass resolution was also applied to cer1 mutant of the model system Arabidopsis thaliana to demonstrate its usefulness in biological studies and reveal associated metabolite changes in terms of spatial distribution and/or abundances compared to those of wild-type. The spatial distribution of targeted metabolites, mainly waxes and flavonoids, was systematically explored on various organs, including flowers, leaves, stems, and roots at high spatial resolution of ~ 12-50 ?m and the changes in the abundance level of these metabolites were monitored on the cer1 mutant with respect to the wild-type. This study revealed the metabolic biology of CER1 gene on each individual organ level with very detailed high spatial resolution. The separate MS images of isobaric metabolites, i.e. C29 alkane vs. C28 aldehyde could be constructed on both genotypes from MS imaging at high mass resolution. This allows tracking of abundance changes for those compounds along with the genetic mutation, which is not achievable with low mass resolution mass spectrometry. This study supported previous hypothesis of molecular function of CER1 gene as aldehyde decarbonylase, especially by displaying hyper accumulation of aldehydes and C30 fatty acid and decrease in abundance of alkanes and ketones in several plant organs of cer1 mutant. The scope of analytes was further directed toward internal cell metabolites from the surface metabolites of the plant. MS profiling and imaging of internal cell metabolites were performed on the vibratome section of Arabidopsis leaf. Vibratome sectioning of the leaf was first conducted to remove the surface cuticle layer and it was followed by enzymatic treatment of the section to induce the digestion of primary cell walls, middle lamella, and expose the internal cells underneath to the surface for detection with the laser by LDI-MS. The subsequent MS imaging onto the enzymatically treated vibratome section allowed us to map the distribution of the metabolites in the internal cell layers, linolenic acid (C18:3 FA) and linoleic acid (C18:2 FA). The development of an assay for relative quantification of analytes at the single subcellular/organelle level by LDI-MS imaging was attempted and both plausibility and significant obstacles were seen. As a test system, native plant organelle, chloroplasts isolated from the spinach leaves were used

  7. 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.

  8. Mass Spectrometry Analysis of Proteome-wide Proteolytic Post-translational

    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:1 First Use of Energy for All Purposes (Fuel and Nonfuel),Feet) Year Jan Feb Mar Apr MayAtmospheric Optical Depth7-1D: VegetationEquipment Surfaces andMapping the Nanoscale Landscape PrintSurveyMary K.Mass

  9. Low-Afterglow, High-Refractive-Index Liquid Scintillators for Fast-Neutron Spectrometry and Imaging Applications

    E-Print Network [OSTI]

    Lauck, Ronald; Bromberger, Benjamin; Dangendorf, Volker; Goldberg, Mark B; Mor, Ilan; Tittelmeier, Kai; Vartsky, David

    2009-01-01T23:59:59.000Z

    For ion and neutron spectrometry and imaging applications at a high intensity pulsed laser facility, fast liquid scintillators with very low afterglow are required. Furthermore, neutron imaging with fiber (or liquid-core) capillary arrays calls for scintillation materials with high refractive index. To this end, we have examined various combinations of established mixtures of fluors and solvents, that were enriched alternatively with nitrogen or oxygen. Dissolved molecular oxygen is known to be a highly effective quenching agent, that efficiently suppresses the population of the triplet states in the fluor, which are primarily responsible for the afterglow. For measuring the glow curves of scintillators, we have employed the time-correlated single photon counting (TCSPC) technique, characterized by high dynamic range of several orders of magnitude in light intensity. In this paper we outline the application for the fast scintillators, briefly present the scintillation mechanism in liquids, describe our specif...

  10. Low-Afterglow, High-Refractive-Index Liquid Scintillators for Fast-Neutron Spectrometry and Imaging Applications

    E-Print Network [OSTI]

    Ronald Lauck; Michal Brandis; Benjamin Bromberger; Volker Dangendorf; Mark B. Goldberg; Ilan Mor; Kai Tittelmeier; David Vartsky

    2009-05-25T23:59:59.000Z

    For ion and neutron spectrometry and imaging applications at a high intensity pulsed laser facility, fast liquid scintillators with very low afterglow are required. Furthermore, neutron imaging with fiber (or liquid-core) capillary arrays calls for scintillation materials with high refractive index. To this end, we have examined various combinations of established mixtures of fluors and solvents, that were enriched alternatively with nitrogen or oxygen. Dissolved molecular oxygen is known to be a highly effective quenching agent, that efficiently suppresses the population of the triplet states in the fluor, which are primarily responsible for the afterglow. For measuring the glow curves of scintillators, we have employed the time-correlated single photon counting (TCSPC) technique, characterized by high dynamic range of several orders of magnitude in light intensity. In this paper we outline the application for the fast scintillators, briefly present the scintillation mechanism in liquids, describe our specific TCSPC method and discuss the results.

  11. 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.

  12. Electrospray mass spectrometry of NeuAc oligomers associated with the C fragment of the tetanus toxin

    SciTech Connect (OSTI)

    Prieto, M C; Whittal, R M; Baldwin, M A; Burlingame, A L; Balhorn, R

    2005-04-03T23:59:59.000Z

    The Clostridial neurotoxins, botulinum and tetanus, gain entry into neuronal cells by protein recognition involving cell specific binding sites. The sialic or N-acetylneuraminic acid (NeuAc) residues of gangliosides attached to the surface of motor neurons are the suspected recognition and interaction points with Clostridial neurotoxins, although not necessarily the only ones. We have used electrospray ionization mass spectrometry (ESIMS) to examine formation of complexes between the tetanus toxin C fragment, or targeting domain, and carbohydrates containing NeuAc groups to determine how NeuAc residues contribute to ganglioside binding. ESI-MS was used to rapidly and efficiently measure dissociation constants for a number of related NeuAc-containing carbohydrates and NeuAc oligomers, information that has helped identify the structural features of gangliosides that determine their binding to tetanus toxin. The strength of the interactions between the C fragment and (NeuAc){sub n}, are consistent with the topography of the targeting domain of tetanus toxin and the nature of its carbohydrate binding sites. The results suggest that the targeting domain of tetanus toxin contains two binding sites that can accommodate NeuAc (or a dimer). This study also shows that NeuAc must play an important role in ganglioside binding and molecular recognition, a process critical for normal cell function and one frequently exploited by toxins, bacteria and viruses to facilitate their entrance into cells.

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

    E-Print Network [OSTI]

    American Society for Testing and Materials. Philadelphia

    2010-01-01T23:59:59.000Z

    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 ...

  14. 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.

  15. Determination of secondary ion mass spectrometry relative sensitivity factors for polar and non-polar ZnO

    SciTech Connect (OSTI)

    Laufer, Andreas; Volbers, Niklas; Eisermann, Sebastian; Meyer, Bruno K. [Physikalisches Institut, Justus-Liebig-Universitaet Giessen, Heinrich-Buff-Ring 16, 35392 Giessen (Germany); Potzger, Kay [Helmholtz-Zentrum Dresden-Rossendorf, Bautzner Landstrasse 400, 01328 Dresden (Germany); Geburt, Sebastian; Ronning, Carsten [Institut fuer Festkoerperphysik, Universitaet Jena, Max-Wien-Platz 1, 07743 Jena (Germany)

    2011-11-01T23:59:59.000Z

    Zinc oxide (ZnO) is regarded as a promising material for optoelectronic devices, due to its electronic properties. Solely, the difficulty in obtaining p-type ZnO impedes further progress. In this connection, the identification and quantification of impurities is a major demand. For quantitative information using secondary ion mass spectrometry (SIMS), so-called relative sensitivity factors (RSF) are mandatory. Such conversion factors did not yet exist for ZnO. In this work, we present the determined RSF values for ZnO using primary (ion implanted) as well as secondary (bulk doped) standards. These RSFs have been applied to commercially available ZnO substrates of different surface termination (a-plane, Zn-face, and O-face) to quantify the contained impurities. Although these ZnO substrates originate from the same single-crystal, we observe discrepancies in the impurity concentrations. These results cannot be attributed to surface termination dependent RSF values for ZnO.

  16. Characterization of a Sealed Americium-Beryllium (AmBe) Source by Inductively Coupled Plasma Mass Spectrometry

    SciTech Connect (OSTI)

    James Sommers; Marcos Jimenez; Mary Adamic; Jeffrey Giglio; Kevin Carney

    2009-12-01T23:59:59.000Z

    Two Americium-Beryllium neutron sources were dismantled, sampled (sub-sampled) and analyzed via inductively coupled plasma mass spectrometry (ICP-MS). Characteristics such as “age” since purification, actinide content, trace metal content and inter and intra source composition were determined. The “age” since purification of the two sources was determined to be 25.0 and 25.4 years, respectively. The systematic errors in the “age” determination were ± 4 % 2s. The amount and isotopic composition of U and Pu varied substantially between the sub-samples of Source 2 (n=8). This may be due to the physical means of sub-sampling or the way the source was manufactured. Source 1 was much more consistent in terms of content and isotopic composition (n=3 sub-samples). The Be-Am ratio varied greatly between the two sources. Source 1 had an Am-Be ratio of 6.3 ± 52 % (1s). Source 2 had an Am-Be ratio of 9.81 ± 3.5 % (1s). In addition, the trace element content between the samples varied greatly. Significant differences were determined between Source 1 and 2 for Sc, Sr, Y, Zr, Mo, Ba and W.

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

    SciTech Connect (OSTI)

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

    2011-12-01T23:59:59.000Z

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

  18. 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.

  19. Observation of a small oligonucleotide duplex by electrospray ionization mass spectrometry

    SciTech Connect (OSTI)

    Light-Wahl, K.J.; Springer, D.L.; Winger, B.E.; Edmonds, C.G.; Thrall, B.D.; Smith, R.D. (Pacific Northwest Lab., Richland, WA (United States)); Camp, D.G. II (Eastern Oregon State College, La Grande (United States))

    1993-01-27T23:59:59.000Z

    Electrospray ionization (ESI) has been demonstrated to be a soft ionization technique, allowing accurate molecular weight determination for biopolymers due to gas-phase multiple charging. Recent results have demonstrated that noncovalent associations can be preserved upon transfer into the gas phase with ESI, providing a new approach to the determination of both structurally-specific and nonspecific noncovalent associations in solution. The mass spectrometric experimental conditions necessary to preserve such noncovalent associations, and the physical constraints upon such, have yet to be elucidated, although it is clear that gentle interface conditions minimizing internal excitation of noncovalent complexes are helpful. Base-paired oligonucleotide hybridization constitutes one of the most important and thoroughly studied noncovalent associations of biopolymers. Initial attempts to observe duplex oligonucleotides resulted in detection of only the monomeric constituents. Since then, the authors have developed interface conditions that are more gentle and yet still provide sufficient molecular ion desolvation to preserve such associations using new instrumentation with a greatly extended m/z range. In this communication, the authors report the successful ionization of duplex oligonucleotides and the conditions necessary for detection by negative ion ESI-MS. 6 refs., 1 fig.

  20. 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.

  1. 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.

  2. 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.

  3. 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.

  4. Attributes from NMIS Time Coincidence, Fast-Neutron Imaging, Fission Mapping, And Gamma-Ray Spectrometry Data

    SciTech Connect (OSTI)

    Swift, Alicia L [ORNL] [ORNL; Grogan, Brandon R [ORNL] [ORNL; Mullens, James Allen [ORNL] [ORNL; Hayward, J P [University of Tennessee, Knoxville (UTK)] [University of Tennessee, Knoxville (UTK); Mihalczo, John T [ORNL] [ORNL

    2012-01-01T23:59:59.000Z

    This work tests a systematic procedure for analyzing data acquired by the Nuclear Materials Identification System (NMIS) at Oak Ridge National Laboratory with fast-neutron imaging and high-purity germanium (HPGe) gamma spectrometry capabilities. NMIS has been under development by the US Department of Energy Office of Nuclear Verification since the mid-1990s, and prior to that by the National Nuclear Security Administration Y-12 National Security Complex, with NMIS having been used at Y-12 for template matching to confirm inventory and receipts. In this present work, a complete set of NMIS time coincidence, fast-neutron imaging, fission mapping, and HPGe gamma-ray spectrometry data was obtained from Monte Carlo simulations for a configuration of fissile and nonfissile materials. The data were then presented for analysis to someone who had no prior knowledge of the unknown object to accurately determine the description of the object by applying the previously-mentioned procedure to the simulated data. The best approximation indicated that the unknown object was composed of concentric cylinders: a void inside highly enriched uranium (HEU) (84.7 {+-} 1.9 wt % {sup 235}U), surrounded by depleted uranium, surrounded by polyethylene. The final estimation of the unknown object had the correct materials and geometry, with error in the radius estimates of material regions varying from 1.58% at best and 4.25% at worst; error in the height estimates varied from 2% to 12%. The error in the HEU enrichment estimate was 5.9 wt % (within 2.5{sigma} of the true value). The accuracies of the determinations could be adequate for arms control applications. Future work will apply this iterative reconstructive procedure to other unknown objects to further test and refine it.

  5. Image Charge Differential

    E-Print Network [OSTI]

    Weston, Ken

    Image Charge Differential Amplifier FT 0 Crude Oil Time (s) 543210 Frequency (kHz) m/z m q B f Fourier transform ion cyclotron resonance mass spectrometry (FT-ICR MS) uses the frequency of cyclotron motion of the ions in a static magnetic field to determine the mass-to-charge ratio, which is then used

  6. Molecule-Specific Imaging with Mass Spectrometry and a Buckminsterfullerene Probe: Application to Characterizing

    E-Print Network [OSTI]

    Wucher, Andreas

    combinatorial libraries. This new cluster ion source, when operated at an incident energy of 20 ke to be enhanced by at least 3 orders of magnitude over those previously possible. Second, the energy dissipation of DuisburgsEssen. (1) Fodor, S. P. A.; Read, J. L.; Pirrung, M. C.; Stryer, L.; Lu, A. T.; Solas, D. Science

  7. 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...

  8. 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

  9. EMSL - 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:1 First Use of Energy for All Purposes (Fuel and Nonfuel),Feet) Year Jan Feb Mar Apr May JunDatastreamsmmcrcalgovInstrumentsruc DocumentationP-Series to UserProduct:DirectivesSAND2015-21271 7 6 EIA-176Pageenergy

  10. 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 ...

  11. E-Print Network 3.0 - absorption spectrometry etaas Sample Search...

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

    With Confirmation of Accuracy by Inductively Coupled Plasma Mass Spectrometry and Atomic Absorption Spectrometry... -LEAFS uses absorption; graphite furnace; inductively...

  12. Laser Ablation Sampling of Materials Directly into the Formed Liquid Microjunction of a Continuous Flow Surface Sampling Probe/Electrospray Ionization Emitter for Mass Spectral Analysis and Imaging

    SciTech Connect (OSTI)

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

    2013-01-01T23:59:59.000Z

    Transmission geometry laser ablation directly into a formed liquid microjunction of a continuous flow liquid microjunction surface sampling probe/electrospray ionization emitter was utilized for molecular and elemental detection and mass spectrometry imaging. The ability to efficiently capture and ionize ablated material was demonstrated by the detection of various small soluble n-mers of polyaniline and silver ion solvent clusters formed from laser ablation of electropolymerized polyaniline and silver thin films, respectively. In addition, analysis of surfaces that contain soluble components was accomplished by coating or laminating the sample with an insoluble film to enable liquid junction formation without directly extracting material from the surface. The ability to perform mass spectrometry imaging at a spatial resolution of about 50 m was illustrated by using laminated inked patterns on a microscope slide. In general, these data demonstrate at least an order of magnitude signal enhancement compared to the non-contact, laser ablation droplet capture-based surface sampling/ionization approaches that have been previously presented.

  13. 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.

  14. 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.

  15. Real-time Fourier transform spectrometry for fluorescence imaging and flow cytometry

    SciTech Connect (OSTI)

    Buican, T.N.

    1990-01-01T23:59:59.000Z

    We present a Fourier transform (FT) spectrometer that is suitable for real-time spectral analysis in fluorescence imaging and flow cytometry. The instrument consists of a novel type of interferometer that can be modulated at frequencies of up to 100 kHz and has a high light throughput; and a dedicated, parallel array processor for the real-time computation of spectral parameters. The data acquisition array processor can be programmed by a host computer to perform any desired linear transform on the interferogram and can thus separate contributions from multiple fluorescence microscopy. The integration of a flow cytometer and a spectral imaging fluorescence microscope is discussed, and the concepts of direct and reversed virtual sorting'' are introduced. 9 refs., 8 figs.

  16. 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.

  17. Comprehensive two-dimensional gas chromatography coupled to time-of-flight mass spectrometry of coal liquids produced during a coal liquefaction process

    SciTech Connect (OSTI)

    Jacqui F. Hamilton; Alistair. C. Lewis; Marcos Millan; Keith D. Bartle; Alan A. Herod; Rafael Kandiyoti [University of York, York (United Kingdom). Department of Chemistry

    2007-01-15T23:59:59.000Z

    Comprehensive two-dimensional gas chromatography (GC) coupled to time-of-flight mass spectrometry (MS) has been applied to the analysis of coal-derived liquids from the former British Coal Point-of-Ayr coal liquefaction plant. The feed to the hydrocracker and the resulting product were analyzed. The results refer almost exclusively to the plant-derived recycle solvent, known as the liquefaction solvent; the molecular mass range of the GC does not exceed that of the solvent. The method allows for the resolution of the numerous structural isomers of tetralin and methyl indan, one pair of hydrogen-donor (necessary for the dissolution of coal) and isomeric nondonor (that reduce the hydrogen donors) components of the recycle solvent. In addition, the n-alkanes that concentrate in the recycle solvent are easily observed in comparison with the results from one-dimensional GC-MS. 24 refs., 6 figs., 1 tab.

  18. 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.

  19. 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.

  20. Mass Spectrometric 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:1 First Use of Energy for All Purposes (Fuel and Nonfuel),Feet) Year Jan Feb Mar Apr MayAtmospheric Optical Depth7-1D: VegetationEquipment Surfaces andMapping the Nanoscale Landscape PrintSurveyMary K.Mass Spectrometric

  1. Synchrotron Vacuum-Ultraviolet Postionization Mass Spectrometry with Laser and Ion Probes for Intact Molecular Spatial Mapping of Lignin

    E-Print Network [OSTI]

    Takahashi, Lynelle Kazue

    2011-01-01T23:59:59.000Z

    and Biosynthesis of Lignin; Springer-Verlag: Berlin, 1968. (chemical imaging studies of lignin and related compounds.and Alkali and Organosolv Lignins with Synchrotron Vacuum-UV

  2. Liquid Sampling-Atmospheric Pressure Glow Discharge (LS-APGD) Ionization Source for Elemental Mass Spectrometry: Preliminary Parametric Evaluation and Figures of Merit

    SciTech Connect (OSTI)

    Quarles, C. Derrick; Carado, Anthony J.; Barinaga, Charles J.; Koppenaal, David W.; Marcus, R. Kenneth

    2012-01-01T23:59:59.000Z

    A new, low power ionization source for the elemental analysis of aqueous solutions has recently been described. The liquid sampling-atmospheric pressure glow discharge (LS-APGD) source operates at relatively low currents (<20 mA) and solution flow rates (<50 ?L min-1), yielding a relatively simple alternative for atomic mass spectrometry applications. The LS-APGD has been interfaced to what is otherwise an organic, LC-MS mass analyzer, the Thermo Scientific Exactive Orbitrap without any modifications; other than removing the electrospray ionization (ESI) source supplied with that instrument. A glow discharge is initiated between the surface of the test solution exiting a glass capillary and a metallic counter electrode mounted at a 90° angle and separated by a distance of ~5 mm. As with any plasma-based ionization source, there are key discharge operation and ion sampling parameters that affect the intensity and composition of the derived mass spectra; including signal-to-background ratios. We describe here a preliminary parametric evaluation of the roles of discharge current, solution flow rate, argon sheath gas flow rate, and ion sampling distance as they apply on this mass analyzer system. A cursive evaluation of potential matrix effects due to the presence of easily ionized elements (EIEs) indicate that sodium concentrations of up to 500 ?g mL-1 generally cause suppressions of less than 50%, dependant upon the analyte species. Based on the results of this series of studies, preliminary limits of detection (LOD) have been established through the generation of calibration functions. Whilst solution-based concentrations LOD levels of 0.02 – 2 ?g mL-1 3 are not impressive on the surface, the fact that they are determined via discrete 5 ?L injections leads to mass-based detection limits at picogram to singlenanogram levels. The overhead costs associated with source operation (10 W d.c. power, solution flow rates of <50 ?L min-1, and gas flow rates <10 mL min-1) are very attractive. While further optimization in the source design is suggested here, it is believed that the LS-APGD ion source may present a practical alternative to inductively-coupled plasma (ICP) sources typically employed in elemental mass spectrometry.

  3. Thermal Decomposition of Molecules Relevant to Combustion and Chemical Vapor Deposition by Flash Pyrolysis Time-of-Flight Mass Spectrometry

    E-Print Network [OSTI]

    Lemieux, Jessy Mario

    2013-01-01T23:59:59.000Z

    of Small Molecules by Flash Pyrolysis, University ofwas performed using flash pyrolysis vacuum-ultraviolet time-Vapor Deposition by Flash Pyrolysis Time-of-Flight Mass

  4. 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.

  5. Detection and quantitation of benzo(a)pyrene-derived DNA adducts in mouse liver by liquid chromatography - tandem mass spectrometry: comparison with P-32-postlabeling

    SciTech Connect (OSTI)

    Singh, R.; Gaskell, M.; Le Pla, R.C.; Kaur, B.; Azim-Araghi, A.; Roach, J.; Koukouves, G.; Souliotis, V.L.; Kyrtopoulos, S.A.; Farmer, P.B. [University of Leicester, Leicester (United Kingdom)

    2006-06-19T23:59:59.000Z

    The polycyclic aromatic hydrocarbon, benzo(a)pyrene (B(a)P) is a proven animal carcinogen that is potentially carcinogenic to humans. B( a)P is an ubiquitous environmental pollutant and is also present in tobacco smoke, coal tar, automobile exhaust emissions, and charred food. A liquid chromatography-tandem mass spectrometry (LC-MS/MS) method using electrospray ionization and selected reaction monitoring (SRM) has been developed for the detection of 10-(deoxyguanosin-N{sub 2}-yl)-7,8,9-trihydroxy-7,8,9,10- tetrahydrobenzo(a)pyrene (B(a)PDE-N{sub 2}dG) adducts formed in DNA following the metabolic activation of B(a)P to benzo(a) pyrene-7,8-dihydrodiol-9,10-epoxide (B(a)PDE).

  6. 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.

  7. 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.

  8. 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.

  9. C-O-H ratios of silicate melt inclusions in basalts from the Galapagos spreading center near 95 degree W: A leaser decrepitation mass spectrometry study

    SciTech Connect (OSTI)

    Yonover, R.N.; Sinton, J.M. (Univ. of Hawaii, Honolulu (USA)); Gibson, E.K. (NASA/Johnson Space Center, Houston, TX (USA)); Sommer, M.A.

    1989-12-01T23:59:59.000Z

    Volatile ratios (primarily of H{sub 2}O and CO{sub 2}) in individual silicate melt (glass) inclusions in minerals have been analyzed using laser volatilization and mass spectrometry. A Nd-glass laser was used to produce 50-micrometer diameter pits in silicate melt inclusions. Released volatiles were analyzed directly with a computer-controlled quadrupole mass spectrometer. The mean CO{sub 2}/H{sub 2}O from the propagating rift (0.245 {plus minus} 0.068) silicate glass inclusions is significantly lower than that of the actively failing rift (0.641 {plus minus} 0.241); this difference probably reflects different degrees of degassing during contrasting magmatic histories for the two regions. Relatively undifferentiated failing rift magmas must have relatively short crustal residence time prior to eruption and, therefore, have not undergone significant degassing of CO{sub 2}, as would appear to be the case for the more highly fractionated propagating rift magmas. The laser-mass spectrometric system described herein has the ability to act as a point-source probing device that can differentiate between the various volatile sites in minerals and rocks (as well as synthetic materials) on a micrometer scale.

  10. Poly(3,4-ethylenedioxypyrrole) Modified Emitter Electrode for Substitution of Homogeneous Redox Buffer Agent Hydroquinone in Electrospray Ionization Mass Spectrometry

    SciTech Connect (OSTI)

    Peintler-Krivan, Emese [ORNL; Van Berkel, Gary J [ORNL; Kertesz, Vilmos [ORNL

    2010-01-01T23:59:59.000Z

    The electrolysis inherent to the operation of the electrospray ionization (ESI) source used with mass spectrometry (MS) is a well-known attendant effect of generating unipolar spray droplets and may affect the analysis of the analyte of interest. Undesirable electrolysis of an analyte may be prevented by limiting the emitter electrode current and/or the mass transport characteristics of the system. However, these ways to avoid analyte electrolysis may not be applcable in all ESI-MS experiments. For example, in the case of specific nanospray systems (e.g. the wire-in-a-capillary bulk-loaded or chip-based tip-loaded nanospray configurations), the solution flow rate is fixed in the 50-500 nL/min range and the electrode surface to volume ratio is large presenting a very effcient analyte to electrode mass transport configuration. In these situations, control over the interfacial potential of the working electrode via homogeneous or traditional heterogeneous (sacrificial metal) redox buffering is a possible way to prevent analyte electrolysis. However, byproducts of these redox buffering approaches can appear in the mass spectra and/or they can chemically alter the analyte. For example, the main reason for using hydroquinone as a homogeneous redox buffer, in addition to its relatively low oxidation potential, is that neither the original compound nor its oxidation product benzoquinone can be detected directly by ESI-MS. However, benzoquinone can alter analytes with thiol functional groups by reacting with those groups via a 1,4-Michael addition.

  11. 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

  12. 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

  13. 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

  14. 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

  15. 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

    , as subtle changes in the solution environment can result in subsequent changes in the mass spectra. A thorough evaluation of the parameters that affect desorption/ionization of peptides is presented here, and these parameters include: (i) AuNP-to...

  16. 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.

  17. 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.

  18. Standard test method for analysis of urine for uranium-235 and uranium-238 isotopes 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 the concentration of uranium-235 and uranium-238 in urine using Inductively Coupled Plasma-Mass Spectrometry. This test method can be used to support uranium facility bioassay programs. 1.2 This method detection limits for 235U and 238U are 6 ng/L. To meet the requirements of ANSI N13.30, the minimum detectable activity (MDA) of each radionuclide measured must be at least 0.1 pCi/L (0.0037 Bq/L). The MDA translates to 47 ng/L for 235U and 300 ng/L for 238U. Uranium– 234 cannot be determined at the MDA with this test method because of its low mass concentration level equivalent to 0.1 pCi/L. 1.3 The digestion and anion separation of urine may not be necessary when uranium concentrations of more than 100 ng/L are present. 1.4 Units—The values stated in picoCurie per liter units are to be regarded as standard. The values given in parentheses are mathematical conversions to SI units that are provided for information only and are not considered standard. 1....

  19. 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.

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

    E-Print Network [OSTI]

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

    2014-04-08T23:59:59.000Z

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

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

    E-Print Network [OSTI]

    American Society for Testing and Materials. Philadelphia

    2005-01-01T23:59:59.000Z

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

  2. 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.

  3. 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.

  4. Soluble arsenic and selenium species in fly ash/organic waste-amended soils using ion chromatography-inductively coupled plasma mass spectrometry

    SciTech Connect (OSTI)

    Jackson, B.P.; Miller, W.P. [Univ. of Georgia, Athens, GA (United States). Dept. of Crop and Soil Sciences] [Univ. of Georgia, Athens, GA (United States). Dept. of Crop and Soil Sciences

    1999-01-15T23:59:59.000Z

    Mixing coal fly ash with an organic waste increases macronutrient content and may make land application of fly ash a viable disposal alternative. However, trace element chemistry of these mixed waste products warrants investigation. Speciation of As and Se in soil solutions of fly ash-, poultry litter- and sewage sludge-amended soils was determined over a 10-day period by ion chromatography coupled to inductively coupled plasma mass spectrometry (IC-ICP-MS). Detection limits were 0.031, 0.028, 0.051, 0.161, 0.497, and 0.660 {micro}g L{sup {minus}1} for dimethylarsinate (DMA), As(III), monomethylarsonate (MMA), As(V), Se(IV), and Se(VI), respectively. Arsenic was highly water-soluble from poultry litter and appeared to be predominantly As(V). Arsenic(V) was the predominant species in soil amended with two fly ashes. Application of fly ash/poultry litter mixtures increased As solubility and led to the prevalence of DMA as the major As species. DMA concentrations of these soil solutions decreased rapidly over the sampling period relative to As(V), suggesting that DMA readily underwent mineralization in the soil solution. Se(VI) was the predominant soluble Se species in all treatments indicating rapid oxidation of Se(IV) initially solubilized from the fly ashes.

  5. 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.

  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. 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.

  8. 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.

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

    SciTech Connect (OSTI)

    Leplat, N.; Rossi, M. J. [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.

  10. 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.

  11. 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...

  12. A Hybrid Approach to Protein Differential Expression in Mass...

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

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

  13. E-Print Network 3.0 - alpha spectrometry 232u Sample Search Results

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

    for thermal ionization mass spectrometry (TIMS) and 800 mg for alpha spectrom- etry. Uranium-thorium TIMS... . Alpha spectrometry was performed at the University of Iowa....

  14. Rapid Quantitation of Ascorbic and Folic Acids in SRM 3280 Multivitamin/Multielement Tablets using Flow-Injection Tandem Mass Spectrometry

    SciTech Connect (OSTI)

    Bhandari, Deepak [ORNL] [ORNL; Kertesz, Vilmos [ORNL] [ORNL; Van Berkel, Gary J [ORNL] [ORNL

    2013-01-01T23:59:59.000Z

    RATIONALE: Ascorbic acid (AA) and folic acid (FA) are water-soluble vitamins and are usually fortified in food and dietary supplements. For the safety of human health, proper intake of these vitamins is recommended. Improvement in the analysis time required for the quantitative determination of these vitamins in food and nutritional formulations is desired. METHODS: A simple and fast (~5 min) in-tube sample preparation was performed, independently for FA and AA, by mixing extraction solvent with a powdered sample aliquot followed by agitation, centrifugation, and filtration to recover an extract for analysis. Quantitative detection was achieved by flow-injection (1 L injection volume) electrospray ionization tandem mass spectrometry (ESI-MS/MS) in negative ion mode using the method of standard addition. RESULTS: Method of standard addition was employed for the quantitative estimation of each vitamin in a sample extract. At least 2 spiked and 1 non-spiked sample extract were injected in triplicate for each quantitative analysis. Given an injection-to-injection interval of approximately 2 min, about 18 min was required to complete the quantitative estimation of each vitamin. The concentration values obtained for the respective vitamins in the standard reference material (SRM) 3280 using this approach were within the statistical range of the certified values provided in the NIST Certificate of Analysis. The estimated limit of detections of FA and AA were 13 and 5.9 ng/g, respectively. CONCLUSIONS: Flow-injection ESI-MS/MS was successfully applied for the rapid quantitation of FA and AA in SRM 3280 multivitamin/multielement tablets.

  15. 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

    2014-12-14T23:59:59.000Z

    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.

  16. 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.

  17. 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.

  18. Targeted Peptide Measurements in Biology and Medicine: Best Practices for Mass Spectrometry-based Assay Development Using a Fit-for-Purpose Approach

    SciTech Connect (OSTI)

    Carr, Steven A.; Abbateillo, Susan E.; Ackermann, Bradley L.; Borchers, Christoph H.; Domon, Bruno; Deutsch, Eric W.; Grant, Russel; Hoofnagle, Andrew N.; Huttenhain, Ruth; Koomen, John M.; Liebler, Daniel; Liu, Tao; MacLean, Brendan; Mani, DR; Mansfield, Elizabeth; Neubert, Hendrik; Paulovich, Amanda G.; Reiter, Lukas; Vitek, Olga; Aebersold, Ruedi; Anderson, Leigh N.; Bethem, Robert; Blonder, Josip; Boja, Emily; Botelho, Julianne; Boyne, Michael; Bradshaw, Ralph A.; Burlingame, Alma S.; Chan, Daniel W.; Keshishian, Hasmik; Kuhn, Eric; Kingsinger, Christopher R.; Lee, Jerry S.; Lee, Sang-Won; Moritz, Robert L.; Oses-Prieto, Juan; Rifai, Nader; Ritchie, James E.; Rodriguez, Henry; Srinivas, Pothur R.; Townsend, Reid; Van Eyk , Jennifer; Whiteley, Gordon; Wiita, Arun; Weintraub, Susan

    2014-01-14T23:59:59.000Z

    Adoption of targeted mass spectrometry (MS) approaches such as multiple reaction monitoring (MRM) to study biological and biomedical questions is well underway in the proteomics community. Successful application depends on the ability to generate reliable assays that uniquely and confidently identify target peptides in a sample. Unfortunately, there is a wide range of criteria being applied to say that an assay has been successfully developed. There is no consensus on what criteria are acceptable and little understanding of the impact of variable criteria on the quality of the results generated. Publications describing targeted MS assays for peptides frequently do not contain sufficient information for readers to establish confidence that the tests work as intended or to be able to apply the tests described in their own labs. Guidance must be developed so that targeted MS assays with established performance can be made widely distributed and applied by many labs worldwide. To begin to address the problems and their solutions, a workshop was held at the National Institutes of Health with representatives from the multiple communities developing and employing targeted MS assays. Participants discussed the analytical goals of their experiments and the experimental evidence needed to establish that the assays they develop work as intended and are achieving the required levels of performance. Using this “fit-for-purpose” approach, the group defined three tiers of assays distinguished by their performance and extent of analytical characterization. Computational and statistical tools useful for the analysis of targeted MS results were described. Participants also detailed the information that authors need to provide in their manuscripts to enable reviewers and readers to clearly understand what procedures were performed and to evaluate the reliability of the peptide or protein quantification measurements reported. This paper presents a summary of the meeting and recommendations. Molecular & Cellular Proteomics 13: 10.1074/mcp.M113.036095, 907–917, 2014.

  19. Sandia National Laboratories: 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:1 First Use of Energy for All Purposes (Fuel and Nonfuel),Feet) Year Jan Feb Mar Apr MayAtmosphericNuclear Security Administration the1developmentturbine bladelifetime is the cumulative time underpower measurementmass

  20. Spatially-Correlated Mass Spectrometric Analysis of Microbe-Mineral Interactions

    SciTech Connect (OSTI)

    Jill R. Scott; Beizhan Yan; Daphne L. Stoner

    2006-11-01T23:59:59.000Z

    A new methodology for examining the interactions of microbes with heterogeneous minerals is presented. Imaging laser-desorption Fourier transform mass spectrometry was used to examine the colonization patterns of Burkholderia vietnamiensis (Burkholderia cepacia) G4 on a heterogeneous basalt sample. Depth-profile imaging found that the bacterium preferentially colonized the plagioclase mineral phases within the basalt.

  1. ACCELERATION OF CORONAL MASS EJECTIONS FROM THREE-DIMENSIONAL RECONSTRUCTION OF STEREO IMAGES

    SciTech Connect (OSTI)

    Joshi, Anand D.; Srivastava, Nandita, E-mail: janandd@prl.res.in [Udaipur Solar Observatory, Physical Research Laboratory, P.O. Box 198, Badi Road, Udaipur 313001 (India)

    2011-09-20T23:59:59.000Z

    We employ a three-dimensional (3D) reconstruction technique for the first time to study the kinematics of six coronal mass ejections (CMEs), using images obtained from the COR1 and COR2 coronagraphs on board the twin STEREO spacecraft, and also the eruptive prominences (EPs) associated with three of them using images from the Extreme UltraViolet Imager. A feature in the EPs and leading edges (LEs) of all the CMEs was identified and tracked in images from the two spacecraft, and a stereoscopic reconstruction technique was used to determine the 3D coordinates of these features. True velocity and acceleration were determined from the temporal evolution of the true height of the CME features. Our study of the kinematics of the CMEs in 3D reveals that the CME LE undergoes maximum acceleration typically below 2 R{sub sun}. The acceleration profiles of CMEs associated with flares and prominences exhibit different behaviors. While the CMEs not associated with prominences show a bimodal acceleration profile, those associated with prominences do not. Two of the three associated prominences in the study show a high and increasing value of acceleration up to a distance of almost 4 R{sub sun}, but acceleration of the corresponding CME LE does not show the same behavior, suggesting that the two may not be always driven by the same mechanism. One of the CMEs, although associated with a C-class flare, showed unusually high acceleration of over 1500 m s{sup -2}. Our results therefore suggest that only the flare-associated CMEs undergo residual acceleration, which indicates that the flux injection theoretical model holds well for the flare-associated CMEs, but a different mechanism should be considered for EP-associated CMEs.

  2. 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.

  3. The 2MASS Wide-Field T Dwarf Search. IV Unting out T dwarfs with Methane Imaging

    E-Print Network [OSTI]

    C. G. Tinney; Adam J. Burgasser; J. Davy Kirkpatrick; Michael W. McElwain

    2005-08-05T23:59:59.000Z

    We present first results from a major program of methane filter photometry for low-mass stars and brown dwarfs. The definition of a new methane filter photometric system is described. A recipe is provided for the differential calibration of methane imaging data using existing 2MASS photometry. We show that these filters are effective in discriminating T dwarfs from other types of stars, and demonstrate this with Anglo-Australian Telescope observations using the IRIS2 imager. Methane imaging data and proper motions are presented for ten T dwarfs identified as part of the 2MASS "Wide Field T Dwarf Search" -- seven of them initially identified as T dwarfs using methane imaging. We also present near-infrared moderate resolution spectra for five T dwarfs, newly discovered by this technique. Spectral types obtained from these spectra are compared to those derived from both our methane filter observations, and spectral types derived by other observers. Finally, we suggest a range of future programs to which these filters are clearly well suited: the winnowing of T dwarf and Y dwarf candidate objects coming from the next generation of near-infrared sky surveys; the robust detection of candidate planetary-mass brown dwarfs in clusters; the detection of T dwarf companions to known L and T dwarfs via deep methane imaging; and the search for rotationally-modulated time-variable surface features on cool brown dwarfs.

  4. 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.

  5. Retrieval of DNA using soft-landing after mass analysis by ESI-FTICR for enzymatic manipulation

    SciTech Connect (OSTI)

    Feng, B.; Wunschel, D.S.; Masselon, C.D.; Pasa-Tolic, L.; Smith, R.D.

    1999-09-29T23:59:59.000Z

    The DNA modifications that lead to mutations are of direct interest for, e.g. the understanding of DNA damage recognition and repair. The characterization of the modified oligonucleotides and enzymatic responses to specific DNA modifications are of primary concern, but also present major analytical challenges. Among the available techniques, mass spectrometry has become an increasingly important tool for the study of oligonucleotides, their mutations, and interactions. Conventionally, mass spectrometry provides mass and structural information (e.g. from dissociation experiments and the use of tandem mass spectrometry). However, the small quantities of material analyzed and the destructive nature of conventional mass spectrometric detection (e.g., due to high energy impact on particle multiplier surfaces) have precluded subsequent use of mass separated biopolymers. The authors report the use of mass spectrometry in conjunction with soft-landing for the high-resolution analysis, separation, and selective collection of oligonucleotides, and their subsequent retrieval for enzymatic manipulation. Fourier transform ion cyclotron resonance mass spectrometry coupled with electrospray ionization (ESI-FTICR) allows nondestructive (i.e., image current) measurement of the mass-to-charge ratios (m/z) of ions with high sensitivity, resolution, and mass accuracy.

  6. Current developments in laser ablation-inductively coupled plasma-mass spectrometry for use in geology, forensics, and nuclear nonproliferation research

    SciTech Connect (OSTI)

    Messerly, Joshua D.

    2008-08-26T23:59:59.000Z

    This dissertation focused on new applications of laser ablation inductively coupled plasma mass spectrometry (LA-ICP-MS). The diverse fields that were investigated show the versatility of the technique. In Chapter 2, LA-ICP-MS was used to investigate the rare earth element (REE) profiles of garnets from the Broken Hill Deposit in New South Wales, Australia. The normalized REE profiles helped to shed new light on the formation of deposits of sulfide ores. This information may be helpful in identifying the location of sulfide ore deposits in other locations. New sources of metals such as Pg, Zn, and Ag, produced from these ores, are needed to sustain our current technological society. The application of LA-ICP-MS presented in Chapter 3 is the forensics analysis of automotive putty and caulking. The elemental analysis of these materials was combined with the use of Principal Components Analysis (PCA). The PCA comparison was able to differentiate the automotive putty samples by manufacturer and lot number. The analysis of caulk was able to show a differentiation based on manufacturer, but no clear differentiation was shown by lot number. This differentiation may allow matching of evidence in the future. This will require many more analyses and the construction of a database made up of many different samples. The 4th chapter was a study of the capabilities of LA-ICP-MS for fast and precise analysis of particle ensembles for nuclear nonproliferation applications. Laser ablation has the ability to spatially resolve particle ensembles which may contain uranium or other actinides from other particles present in a sample. This is of importance in samples obtained from air on filter media. The particle ensembles of interest may be mixed in amongst dust and other particulates. A problem arises when ablating these particle ensembles directly from the filter media. Dust particles other than ones of interest may be accidentally entrained in the aerosol of the ablated particle ensemble. This would cause the analysis to be skewed. The use of a gelatin substrate allows the ablation a particle ensemble without disturbing other particles or the gelatin surface. A method to trap and ablate particles on filter paper using collodion was also investigated. The laser was used to dig through the collodion layer and into the particle ensemble. Both of these methods fix particles to allow spatial resolution of the particle ensembles. The use of vanillic acid as a possible enhancement to ablation was also studied. A vanillic acid coating of the particles fixed on top of the gelatin substrate was not found to have any positive effect on either signal intensity or precision. The mixing of vanillic acid in the collodion solution used to coat the filter paper increased ablation signal intensity by a factor of 4 to 5. There was little effect on precision, though. The collodion on filter paper method and the gelatin method of resolving particles have shown themselves to be possible tools in fighting proliferation of nuclear weapons and material. Future applications of LA-ICP-MS are only limited by the imagination of the investigator. Any material that can be ablated and aerosolized is a potential material for analysis by LA-ICP-MS. Improvements in aerosol transport, ablation chamber design, and laser focusing can make possible the ablation and analysis of very small amounts of material. This may perhaps lead to more possible uses in forensics. A similar method to the one used in Chapter 3 could perhaps be used to match drug residue to the place of origin. Perhaps a link could be made based on the elements leached from the soil by plants used to make drugs. This may have a specific pattern based on where the plant was grown. Synthetic drugs are produced in clandestine laboratories that are often times very dirty. The dust, debris, and unique materials in the lab environment could create enough variance to perhaps match drugs produced there to samples obtained off the street. Even if the match was not strong enough to be evidence, the knowledge that many sa

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

    SciTech Connect (OSTI)

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

    2014-01-31T23:59:59.000Z

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

  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.

    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 ...

  9. 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.

  10. 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.

    New 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 heterogeneity. In particular, biogeochemical fluxes of volatiles such as methane remain largely unconstrained

  11. 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.

  12. Characterizing the Star Formation of the Low-Mass SHIELD Galaxies from Hubble Space Telescope Imaging

    E-Print Network [OSTI]

    McQuinn, Kristen B W; Dolphin, Andrew E; Skillman, Evan D; Haynes, Martha P; Simones, Jacob E; Salzer, John J; Adams, Elizabeth A K; Elson, Ed C; Giovanelli, Riccardo; Ott, Jürgen

    2015-01-01T23:59:59.000Z

    The Survey of HI in Extremely Low-mass Dwarfs (SHIELD) is an on-going multi-wavelength program to characterize the gas, star formation, and evolution in gas-rich, very low-mass galaxies that populate the faint end of the galaxy luminosity function. The galaxies were selected from the first ~10% of the HI ALFALFA survey based on their low HI mass and low baryonic mass. Here, we measure the star-formation properties from optically resolved stellar populations for 12 galaxies using a color-magnitude diagram fitting technique. We derive lifetime average star-formation rates (SFRs), recent SFRs, stellar masses, and gas fractions. Overall, the recent SFRs are comparable to the lifetime SFRs with mean birthrate parameter of 1.4, with a surprisingly narrow standard deviation of 0.7. Two galaxies are classified as dwarf transition galaxies (dTrans). These dTrans systems have star-formation and gas properties consistent with the rest of the sample, in agreement with previous results that some dTrans galaxies may simply...

  13. Characterization of nonpolar lipids and steroids by using laser-induced acoustic desorption/chemical ionization, atmospheric pressure chemical ionization, and electrospray ionization mass spectrometry

    SciTech Connect (OSTI)

    Jin, Z.; Daiya, S.; Kenttämaa, Hilkka I.

    2011-01-01T23:59:59.000Z

    Laser-induced acoustic desorption (LIAD) combined with ClMn(H{sub 2}O){sup +} chemical ionization (CI) was tested for the analysis of nonpolar lipids and selected steroids in a Fourier-transform ion cyclotron resonance mass spectrometer (FT-ICR). The nonpolar lipids studied, cholesterol, 5?-cholestane, cholesta-3,5-diene, squalene, and ?-carotene, were found to solely form the desired water replacement product (adduct-H{sub 2}O) upon reaction with the ClMn(H{sub 2}O){sup +} ions. The steroids, androsterone, dehydroepiandrosterone (DHEA), estrone, estradiol, and estriol, also form abundant adduct-H{sub 2}O ions, but less abundant adduct-2H{sub 2}O ions were also observed. Neither (+)APCI nor (+)ESI can ionize the saturated hydrocarbon lipid, cholestane. APCI successfully ionizes the unsaturated hydrocarbon lipids to form exclusively the intact protonated analytes. However, it causes extensive fragmentation for cholesterol and the steroids. The worst case is cholesterol that does not produce any stable protonated molecules. On the other hand, ESI cannot ionize any of the hydrocarbon analytes, saturated or unsaturated. However, ESI can be used to protonate the oxygen-containing analytes with substantially less fragmentation than for APCI in all cases except for cholesterol and estrone. In conclusion, LIAD/ClMn(H{sub 2}O){sup +} chemical ionization is superior over APCI and ESI for the mass spectrometric characterization of underivatized nonpolar lipids and steroids.

  14. 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.

  15. Quadrupole mass spectrometry and time-of-flight analysis of ions resulting from 532 nm pulsed laser ablation of Ni, Al, and ZnO targets

    SciTech Connect (OSTI)

    Sage, Rebecca S.; Cappel, Ute B.; Ashfold, Michael N. R.; Walker, Nicholas R. [School of Chemistry, University of Bristol, Bristol BS8 1TS (United Kingdom)

    2008-05-01T23:59:59.000Z

    This work describes the design and validation of an instrument to measure the kinetic energies of ions ejected by the pulsed laser ablation (PLA) of a solid target. Mass spectra show that the PLA of Ni, Al, and ZnO targets, in vacuum, using the second harmonic of a Nd:YAG laser (532 nm, pulse duration {approx}10 ns) generates abundant X{sup n+} ions (n{<=}3 for Ni, {<=}2 for Al, {<=}3 and {<=}2 for Zn and O respectively from ZnO). Ions are selected by their mass/charge (m/z) ratio prior to the determination of their times of flight. PLA of Ni has been studied in most detail. The mean velocities of ablated Ni{sup n+} ions are shown to follow the trend v(Ni{sup 3+})>v(Ni{sup 2+})>v(Ni{sup +}). Data from Ni{sup 2+} and Ni{sup 3+} are fitted to shifted Maxwellian functions and agree well with a model which assumes both thermal and Coulombic contributions to ion velocities. The dependence of ion velocities on laser pulse energy (and fluence) is investigated, and the high energy data are shown to be consistent with an effective accelerating voltage of {approx}90 V within the plume. The distribution of velocities associated with Ni{sup 3+} indicates a population at cooler temperature than Ni{sup 2+}.

  16. Standard test method for analysis of isotopic composition of uranium in nuclear-grade fuel material by quadrupole inductively coupled plasma-mass spectrometry

    E-Print Network [OSTI]

    American Society for Testing and Materials. Philadelphia

    2000-01-01T23:59:59.000Z

    1.1 This test method is applicable to the determination of the isotopic composition of uranium (U) in nuclear-grade fuel material. The following isotopic weight percentages are determined using a quadrupole inductively coupled plasma-mass spectrometer (Q-ICP-MS): 233U, 234U, 235U, 236U, and 238U. The analysis can be performed on various material matrices after acid dissolution and sample dilution into water or dilute nitric (HNO3) acid. These materials include: fuel product, uranium oxide, uranium oxide alloys, uranyl nitrate (UNH) crystals, and solutions. The sample preparation discussed in this test method focuses on fuel product material but may be used for uranium oxide or a uranium oxide alloy. Other preparation techniques may be used and some references are given. Purification of the uranium by anion-exchange extraction is not required for this test method, as it is required by other test methods such as radiochemistry and thermal ionization mass spectroscopy (TIMS). This test method is also described i...

  17. Liquid Microjunction Surface Sampling Coupled with High-Pressure Liquid Chromatography-Electrospray Ionization-Mass Spectrometry for Analysis of Drugs and Metabolites in Whole-Body Thin Tissue Sections

    SciTech Connect (OSTI)

    Kertesz, Vilmos [ORNL; Van Berkel, Gary J [ORNL

    2010-01-01T23:59:59.000Z

    In this work, a commercially available autosampler was adapted to perform direct liquid microjunction (LMJ) surface sampling followed by a high-pressure liquid chromatography (HPLC) separation of the extract components and detection with electrospray ionization mass spectrometry (ESI-MS). To illustrate the utility of coupling a separation with this direct liquid extraction based surface sampling approach, four different organs (brain, lung, kidney, and liver) from whole-body thin tissue sections of propranolol dosed and control mice were examined. The parent drug was observed in the chromatograms of the surface sampling extracts from all the organs of the dosed mouse examined. In addition, two isomeric phase II metabolites of propranolol (an aliphatic and an aromatic hydroxypropranolol glucuronide) were observed in the chromatograms of the extracts from lung, kidney, and liver. Confirming the presence of one or the other or both of these glucuronides in the extract from the various organs was not possible without the separation. These drug and metabolite data obtained using the LMJ surface sampling/HPLC-MS method and the results achieved by analyzing similar samples by conventional extraction of the tissues and subsequent HPLC-MS analysis were consistent.

  18. 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.

  19. 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...

  20. 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.

  1. 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...

  2. 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.

  3. 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

  4. Signatures for Mass Spectrometry Data Quality

    SciTech Connect (OSTI)

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

    2014-03-10T23:59:59.000Z

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

  5. 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

  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. 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

  9. Improving liquid chromatography-mass spectrometry sensitivity...

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

    sensitivity using a subambient pressure ionization with nanoelectrospray (SPIN Abstract: In this work the Subambient Pressure Ionization with Nanoelectrospray (SPIN) ion...

  10. Ultrasensitive Nanoelectrospray Ionization-Mass Spectrometry using

    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:1 First Use of Energy for All Purposes (Fuel and Nonfuel),Feet) Year Jan Feb Mar Apr MayAtmosphericNuclear SecurityTensile Strain Switched Ferromagnetism in Layeredof2014 EIAUltrafast Transformations

  11. Next-Generation Mass Spectrometry | EMSL

    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:1 First Use of Energy for All Purposes (Fuel and Nonfuel),Feet) Year Jan Feb Mar Apr MayAtmosphericNuclear Security Administration the Contributions andDataNationalNewport News Business55NewsNext Jefferson

  12. 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:1 First Use of Energy for All Purposes (Fuel and Nonfuel),Feet) Year Jan Feb Mar Apr May Jun Jul(Summary)morphinanInformation InInformation InExplosion Monitoring:Home| Visitors| Education|About NationalEnergyWhy the

  13. 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...

  14. Beyond single particle mass spectrometry: multidimensional characterisation

    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:1 First Use of Energy for All Purposes (Fuel and Nonfuel),Feet) Year Jan Feb Mar Apr May JunDatastreamsmmcrcalgovInstrumentsruc DocumentationP-Series to someone6 M. Babzien, I.Program Information AboutBetterBetter Nationalof

  15. 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:1 First Use of Energy for All Purposes (Fuel and Nonfuel),Feet) Year Jan Feb Mar Apr MayAtmospheric Optical Depth7-1D: Vegetation ProposedUsing Zirconia Nanoparticles as SelectiveElectronic Structurefunctional

  16. Signatures for Mass Spectrometry Data Quality. | EMSL

    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:1 First Use of Energy for All Purposes (Fuel and Nonfuel),Feet) Year Jan Feb Mar Apr MayAtmosphericNuclear Security Administrationcontroller systemsBi (2)Sharing Smart GridShift EndSidney D.Christopher

  17. Imaging

    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:1 First Use of Energy for All Purposes (Fuel and Nonfuel),Feet) Year Jan Feb Mar Apr May Jun Jul(Summary)morphinanInformation Desert Southwest Region service area.Portaldefault Sign In About |Imaging Imaging Print

  18. 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...

  19. Imaging

    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:1 First Use of Energy for All Purposes (Fuel and Nonfuel),Feet) Year Jan Feb Mar Apr May JunDatastreamsmmcrcalgovInstrumentsruc DocumentationP-SeriesFlickr FlickrGuidedCH2MLLCBasicsScience atIanIgorIlyaBuildingImaging Print

  20. Imaging

    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:1 First Use of Energy for All Purposes (Fuel and Nonfuel),Feet) Year Jan Feb Mar Apr May JunDatastreamsmmcrcalgovInstrumentsruc DocumentationP-SeriesFlickr FlickrGuidedCH2MLLCBasicsScience atIanIgorIlyaBuildingImaging

  1. Extending the frontiers of mass spectrometric instrumentation and methods

    SciTech Connect (OSTI)

    Schieffer, Gregg

    2010-12-15T23:59:59.000Z

    The focus of this dissertation is two-fold: developing novel analysis methods using mass spectrometry and the implementation and characterization of a novel ion mobility mass spectrometry instrumentation. The novel mass spectrometry combines ion trap for ion/ion reactions coupled to an ion mobility cell. The long term goal of this instrumentation is to use ion/ion reactions to probe the structure of gas phase biomolecule ions. The three ion source - ion trap - ion mobility - qTOF mass spectrometer (IT - IM - TOF MS) instrument is described. The analysis of the degradation products in coal (Chapter 2) and the imaging plant metabolites (Appendix III) fall under the methods development category. These projects use existing commercial instrumentation (JEOL AccuTOF MS and Thermo Finnigan LCQ IT, respectively) for the mass analysis of the degraded coal products and the plant metabolites, respectively. The coal degradation paper discusses the use of the DART ion source for fast and easy sample analysis. The sample preparation consisted of a simple 50 fold dilution of the soluble coal products in water and placing the liquid in front of the heated gas stream. This is the first time the DART ion source has been used for analysis of coal. Steven Raders under the guidance of John Verkade came up with the coal degradation projects. Raders performed the coal degradation reactions, worked up the products, and sent them to me. Gregg Schieffer developed the method and wrote the paper demonstrating the use of the DART ion source for the fast and easy sample analysis. The plant metabolite imaging project extends the use of colloidal graphite as a sample coating for atmospheric pressure LDI. DC Perdian and I closely worked together to make this project work. Perdian focused on building the LDI setup whereas Schieffer focused on the MSn analysis of the metabolites. Both Perdian and I took the data featured in the paper. Perdian was the primary writer of the paper and used it as a chapter in his dissertation. Perdian and Schieffer worked together to address the revisions and publish it in Rapid Communications in Mass Spectrometry Journal.

  2. SPITZER IRAC AND MIPS IMAGING OF CLUSTERS AND OUTFLOWS IN NINE HIGH-MASS STAR FORMING REGIONS

    E-Print Network [OSTI]

    Beuther, Henrik

    - to high-mass stars has advanced significantly via near-infrared surveys (e.g., Testi et al. 1999 interferometric observations. We detect infrared coun- terparts of these dusty cores in the IRAC or MIPS 24 m bands. Reflection nebulae dominated by the emission from UV-heated hydrocarbons in the 8 m band can

  3. Mass Media Minor Requirements (total 20 credits) Prerequisites

    E-Print Network [OSTI]

    Bates, Rebecca A.

    in Mass Media · MASS 334 (04) Writing and Speaking For Broadcast · MASS 351 (04) Digital Imaging For Mass Media · MASS 360 (04) Digital Design For Mass Media · MASS 412 (04) Mass Media History · MASS 431 (04Mass Media Minor Requirements (total 20 credits) Prerequisites: · MASS 110 Introduction to Mass

  4. 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

  5. The 2MASS Wide-Field T Dwarf Search. V. Discovery of a T Dwarf via Methane Imaging

    E-Print Network [OSTI]

    S. C. Ellis; C. G. Tinney; Adam J. Burgasser; J. Davy Kirkpatrick; Michael W. McElwain

    2005-08-05T23:59:59.000Z

    We present the discovery of a T dwarf, 2M2151-4853, via differential imaging through methane filters. The filters are designed to highlight the strong absorption in the H band, due to methane found in the atmospheres of T dwarfs, and provide a very efficient means of searching for them. Subsequent J and H band spectroscopy confirms 2M2151-4853 as a T dwarf of type T4.5. It has an estimated spectrophotometric distance of 18 +/- 3 pc, and an estimated tangential velocity of v=50 +/- 10 km/s.

  6. A THERMAL INFRARED IMAGING STUDY OF VERY LOW MASS, WIDE-SEPARATION BROWN DWARF COMPANIONS TO UPPER SCORPIUS STARS: CONSTRAINING CIRCUMSTELLAR ENVIRONMENTS

    SciTech Connect (OSTI)

    Bailey, Vanessa; Hinz, Philip M.; Su, Kate Y. L.; Hoffmann, William F.; Rieke, George; Rodigas, Timothy; Skemer, Andrew; Vaitheeswaran, Vidhya [Steward Observatory, University of Arizona, 933 N. Cherry Ave., Tucson, AZ 85721 (United States)] [Steward Observatory, University of Arizona, 933 N. Cherry Ave., Tucson, AZ 85721 (United States); Currie, Thayne [Department of Astronomy and Astrophysics, University of Toronto, 50 St. George Street, Toronto, ON M5S 3H4 (Canada)] [Department of Astronomy and Astrophysics, University of Toronto, 50 St. George Street, Toronto, ON M5S 3H4 (Canada); Esposito, Simone; Pinna, Enrico; Puglisi, Alfio [Osservatorio Astrofisico di Arcetri, Largo Enrico Fermi 5, I-50125 Firenze (Italy)] [Osservatorio Astrofisico di Arcetri, Largo Enrico Fermi 5, I-50125 Firenze (Italy); Hill, John M. [Large Binocular Telescope Observatory, University of Arizona, 933 N. Cherry Ave., Tucson, AZ 85721 (United States)] [Large Binocular Telescope Observatory, University of Arizona, 933 N. Cherry Ave., Tucson, AZ 85721 (United States); Jones, Terry [School of Physics and Astronomy, University of Minnesota, 116 Church St. SE, Minneapolis, MN 55455 (United States)] [School of Physics and Astronomy, University of Minnesota, 116 Church St. SE, Minneapolis, MN 55455 (United States); Kim, Jihun [College of Optical Sciences, University of Arizona, 1630 E. University Blvd., Tucson, AZ 85721 (United States)] [College of Optical Sciences, University of Arizona, 1630 E. University Blvd., Tucson, AZ 85721 (United States); Leisenring, Jarron; Meyer, Michael [Institut fuer Angewandte Physik, Eidgenoessische Technische Hochschule-Zuerich, CH-8093 (Switzerland)] [Institut fuer Angewandte Physik, Eidgenoessische Technische Hochschule-Zuerich, CH-8093 (Switzerland); Murray-Clay, Ruth; Skrutskie, Michael F. [Harvard-Smithsonian Center for Astrophysics, Harvard University, 60 Garden St., Cambridge, MA 02138 (United States)] [Harvard-Smithsonian Center for Astrophysics, Harvard University, 60 Garden St., Cambridge, MA 02138 (United States); Nelson, Matthew J., E-mail: vbailey@as.arizona.edu [Department of Astronomy, University of Virginia, Charlottesville, VA 22904 (United States); and others

    2013-04-10T23:59:59.000Z

    We present a 3-5 {mu}m LBT/MMT adaptive optics imaging study of three Upper Scorpius stars with brown dwarf (BD) companions with very low masses/mass ratios (M{sub BD} <25 M{sub Jup}; M{sub BD}/M{sub *} Almost-Equal-To 1%-2%) and wide separations (300-700 AU): GSC 06214, 1RXS 1609, and HIP 78530. We combine these new thermal IR data with existing 1-4 {mu}m and 24 {mu}m photometry to constrain the properties of the BDs and identify evidence for circumprimary/circumsecondary disks in these unusual systems. We confirm that GSC 06214B is surrounded by a disk, further showing that this disk produces a broadband IR excess due to small dust near the dust sublimation radius. An unresolved 24 {mu}m excess in the system may be explained by the contribution from this disk. 1RXS 1609B exhibits no 3-4 {mu}m excess, nor does its primary; however, the system as a whole has a modest 24 {mu}m excess, which may come from warm dust around the primary and/or BD. Neither object in the HIP 78530 system exhibits near- to mid-IR excesses. We additionally find that the 1-4 {mu}m colors of HIP 78530B match a spectral type of M3 {+-} 2, inconsistent with the M8 spectral type assigned based on its near-IR spectrum, indicating that it may be a low-mass star rather than a BD. We present new upper limits on additional low-mass companions in the system (<5 M{sub Jup} beyond 175 AU). Finally, we examine the utility of circumsecondary disks as probes of the formation histories of wide BD companions, finding that the presence of a disk may disfavor BD formation near the primary with subsequent outward scattering.

  7. Plume Image Profiling of UV Laser Desorbed Biomolecules

    SciTech Connect (OSTI)

    Merrigan, T. L.; Hunniford, C.A.; McCullough, R. W. [Centre for Plasma Physics, School of Mathematics and Physics, Queen's University Belfast, Belfast, UK, BT7 1NN (United Kingdom); Timson, D. J. [School of Biological Sciences, Queen's University Belfast, Belfast, UK, BT9 7BL (United Kingdom); Catney, M. [Andor Technology plc., 7 Millennium Way, Springvale Business Park, Belfast, UK, BT12 7AL (United Kingdom)

    2008-12-08T23:59:59.000Z

    An experimental system, based upon the techniques of UV and IR laser desorption with time of flight mass spectrometry, has been constructed to enable the production and characterization of neutral biomolecular targets. The feasibility of the laser desorption technique for the purpose of radiation interaction experiments is investigated here. Fluorescent dye tagging and laser induced fluorescence imaging has been used to help characterize the laser produced plumes of biomolecules revealing their spatial density profiles and temporal evolution. Peak target thicknesses of 2x10{sup 12} molecules cm{sup -2} were obtained 30 {mu}s after laser desorption.

  8. 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.

  9. 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...

  10. 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...

  11. First High-resolution Spectroscopic Observations of an Erupting Prominence Within a Coronal Mass Ejection by the Interface Region Imaging Spectrograph (IRIS)

    E-Print Network [OSTI]

    Liu, Wei; Vial, Jean-Claude; Title, Alan M; Carlsson, Mats; Uitenbroek, Han; Okamoto, Takenori J; Berger, Thomas E; Antolin, Patrick

    2015-01-01T23:59:59.000Z

    Spectroscopic observations of prominence eruptions associated with coronal mass ejections (CMEs), although relatively rare, can provide valuable plasma and 3D geometry diagnostics. We report the first observations by the Interface Region Imaging Spectrograph (IRIS) mission of a spectacular fast CME/prominence eruption associated with an equivalent X1.6 flare on 2014 May 9. The maximum plane-of-sky and Doppler velocities of the eruption are 1200 and 460 km/s, respectively. There are two eruption components separated by ~200 km/s in Doppler velocity: a primary, bright component and a secondary, faint component, suggesting a hollow, rather than solid, cone-shaped distribution of material. The eruption involves a left-handed helical structure undergoing counter-clockwise (viewed top-down) unwinding motion. There is a temporal evolution from upward eruption to downward fallback with less-than-free-fall speeds and decreasing nonthermal line widths. We find a wide range of Mg II k/h line intensity ratios (less than ...

  12. 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.

  13. Three Dimensional Molecular Imaging for Lignocellulosic Materials

    SciTech Connect (OSTI)

    Bohn, Paul W.; Sweedler, Jonathan V.

    2011-06-09T23:59:59.000Z

    The development of high efficiency, inexpensive processing protocols to render biomass components into fermentable substrates for the sequential processing of cell wall components into fuels and important feedstocks for the biorefinery of the future is a key goal of the national roadmap for renewable energy. Furthermore, the development of such protocols depends critically on detailed knowledge of the spatial and temporal infiltration of reagents designed to remove and separate the phenylpropenoid heteropolymer (lignin) from the processable sugar components sequestered in the rigid cell walls of plants. A detailed chemical and structural understanding of this pre-enzymatic processing in space and time was the focus of this program. We worked to develop new imaging strategies that produce real-time molecular speciation information in situ; extract sub-surface information about the effects of processing; and follow the spatial and temporal characteristics of the molecular species in the matrix and correlate this complex profile with saccharification. Spatially correlated SIMS and Raman imaging were used to provide high quality, high resolution subcellular images of Miscanthus cross sections. Furthermore, the combination of information from the mass spectrometry and Raman scattering allows specific chemical assignments of observed structures, difficult to assign from either imaging approach alone and lays the foundation for subsequent heterocorrelated imaging experiments targeted at more challenging biological systems, such as the interacting plant-microbe systems relevant to the rhizosphere.

  14. E-Print Network 3.0 - acute oliguric renal Sample Search Results

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

    Freiburg Collection: Biology and Medicine 8 Larval Zebrafish Multi-Isotope Imaging Mass Spectrometry of Larval ZebrafishMulti-Isotope Imaging Mass Spectrometry...

  15. 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

  16. 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 technique of choice in PMF...

  17. annular dark-field images: Topics by E-print Network

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

    Websites Summary: field scanning transmission electron microscopy (HAADF-STEM), STEM-energy-dispersive X-ray spectrometry nanoparticles. The image contrast in HAADF-STEM is...

  18. SIMS imaging of Al-Li alloy welds

    SciTech Connect (OSTI)

    Soni, K.K.; Levi-Setti, R. [Univ. of Chicago, IL (United States); Shah, S. [Lockheed Martin, Huntsville, AL (United States); Gentz, S. [National Aeronautics and Space Administration, Huntsville, AL (United States). Marshall Space Flight Center

    1996-04-01T23:59:59.000Z

    Secondary ion mass spectrometry (SIMS) is a powerful method for imaging microanalysis of materials. The technique involves bombardment (and consequent slow erosion) of a solid surface with an energetic ion beam, followed by mass spectrometric analysis of the ejected secondary ions to determine their quantity and sample origin. This technique enables detection of all elements and isotopes, many of them with excellent sensitivity. An added benefit is the ability to examine bulk samples polished using standard metallographic methods. When SIMS is performed in conjunction with focused ion beams, the result is surface compositional maps having high lateral resolution (35 to 100 nm). This article describes the role of SIMS in understanding the chemical phenomena associated with the formation of complex microstructures in a welded aluminum-lithium alloy. The technique is ideally suited to the study of aluminum-lithium alloys because of its extremely high sensitivity for lithium, in contrast to the virtual insensitivity of other techniques.

  19. 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

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

    E-Print Network [OSTI]

    Williams, Renee Therese

    2012-01-01T23:59:59.000Z

    alkaline phosphatase (CIP). We chose Incorporation of DNADigestion NP1, exoPII, CIP, exoPI + Internal Standard Enzymethe addition of exoPI and CIP. Similar to NPI, exoPI creates

  1. Plasma desorption mass spectrometry of organics at low temperatures

    E-Print Network [OSTI]

    Shirey, Eldon Lynn

    1993-01-01T23:59:59.000Z

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

  2. Extending the Capabilities of Single Particle Mass Spectrometry...

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

    nm creating a distinct sharp feature on the small particle side 11 of the vacuum aerodynamic size distribution. Thus, the two quantities needed to determine 12 particle...

  3. 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...

  4. Algorithms for tandem mass spectrometry-based proteomics

    E-Print Network [OSTI]

    Frank, Ari Michael

    2008-01-01T23:59:59.000Z

    By restricting this advanced search to the set of unidenti?require time-consuming advanced search techniques. Insteadimplementation of the advanced database searches such as the

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

    E-Print Network [OSTI]

    Burke, John Edmund

    2008-01-01T23:59:59.000Z

    of inhibitor bound GIVA PLA 2 using molecular modeling andDXMS Studies of Group IA PLA 2 Utilizing Novel Methods forIA phospholipase A 2 (GIA PLA 2 ) was carried out in the

  6. 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.

  7. Mass spectrometry-based discovery of circadian peptides

    E-Print Network [OSTI]

    Gillette, Martha U.

    with space and time. Two solid-phase extraction collection strategies are presented that relate time in the brain. little SAAS neuropeptides solid-phase extraction peptidomics suprachiasmatic nucleus neuropeptide- based transmitters and modulators within dynamic neural net- works. Neuropeptides include a broad

  8. Isoelectric Trapping and Mass Spectrometry: Tools for Proteomics

    E-Print Network [OSTI]

    Cologna, Stephanie Marie

    2012-02-14T23:59:59.000Z

    extremely complex mixtures leading to the coupling of different chromatographic and/or electrophoretic techniques.14 MULTI-DIMENSIONAL PROTEIN IDENTIFICATION TEHCHNOLOGY One of the most utilized techniques for bottom-up proteomic studies... researchers prefer an experimental platform that utilizes 1D or 2D-GE followed by excision of each protein band (or entire gel lanes) and tryptic digestion.25 The resulting peptides are then subjected to MS analysis or are separated using LC (GeLC) prior...

  9. 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

  10. Targeted Tandem Mass Spectrometry for High-Throughput Comparative

    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:1 First Use of Energy for All Purposes (Fuel and Nonfuel),Feet) Year Jan Feb Mar Apr MayAtmosphericNuclear Security AdministrationcontrollerNanocrystallineForeign ObjectOUR8, 2013 FINAL MEETINGEnergy

  11. New Mass Spectrometry Techniques for Studying Physical Chemistry of

    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:1 First Use of Energy for All Purposes (Fuel and Nonfuel),Feet) Year Jan Feb Mar Apr MayAtmosphericNuclear Security Administration the Contributions andDataNational Library of1,Department ofNewofLaser'sLocalNew

  12. 21 Tesla mass spectrometry magnet arrives at EMSL | EMSL

    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:1 First Use of Energy for All Purposes (Fuel and Nonfuel),Feet) Year Jan Feb Mar Apr May JunDatastreamsmmcrcalgovInstrumentsrucLasDelivered‰PNGExperience hands-onASTROPHYSICS H.CarbonMarch Value of the verb5Np,331.0 -21

  13. Picoelectrospray Ionization Mass Spectrometry Using Narrow-bore Chemically

    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:1 First Use of Energy for All Purposes (Fuel and Nonfuel),Feet) Year Jan Feb Mar Apr MayAtmosphericNuclear Security Administration the1 - September 2006Photovoltaic Theory and Modeling LosPhysicsEtched Emitters. |

  14. 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...

  15. Investigation of Metalloproteins Utilizing High Resolution Mass Spectrometry

    E-Print Network [OSTI]

    Wu, Zhaoxiang

    2011-08-08T23:59:59.000Z

    .............................................................. 79 30 Fragment ion spectra of the [M+H]+ ions (a) Ac- Y(AEAAKA)2F-NH2 (-OCH3), (b) Ac-Y(AEAAKA)2F-NH2 (- 2OCH3) and (c) Ac-Y(AEAAKA)2F-NH2 (-3CH3)................. 82 31 Arrival time distribution (ATD) of the [M+H]+ ions of (a) Ac- Y...(AEAAKA)2F-NH2 (3OCH3) (FWHM:14), (b) Ac- Y(AEAAKA)2F-NH2 (2OCH3) (FWHM:25), (c) Ac- Y(AEAAKA)2F-NH2 (OCH3) (FWHM:21) and (d) Ac- Y(AEAAKA)2F-NH2 (FWHM:31)......................................... 85 32 Arrival time distribution (ATD) of the [M...

  16. 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:1 First Use of Energy for All Purposes (Fuel and Nonfuel),Feet) Year Jan Feb Mar Apr MayAtmospheric Optical Depth7-1D: VegetationEquipment SurfacesResource ProgramModification andinterface of water.OrganicNov 4 5 6Laser

  17. Multiplexed Ion Mobility Spectrometry - Orthogonal Time-Of-Flight Mass

    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:1 First Use of Energy for All Purposes (Fuel and Nonfuel),Feet) Year Jan Feb Mar Apr MayAtmospheric Optical Depth7-1D: VegetationEquipment SurfacesResource ProgramModificationEnzyme-Functionalized Gold Nanorod Labels and

  18. The future of liquid chromatography-mass spectrometry in metabolic

    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:1 First Use of Energy for All Purposes (Fuel and Nonfuel),Feet) Year Jan Feb Mar Apr MayAtmosphericNuclear SecurityTensile Strain Switched Ferromagnetism in Layered NbS2 andThe MolecularPlaceTheof carbonbiogenicprofiling and

  19. High-Resolution Desorption Electrospray Ionization Mass Spectrometry for

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

    AFDC Printable Version Share this resource Send a link to EERE: Alternative Fuels Data Center Home Page to someone by E-mail Share EERE: Alternative Fuels Data Center Home Page on Facebook Tweet about EERE: Alternative Fuels Data Center Home Page on Twitter Bookmark EERE:1 First Use of Energy for All Purposes (Fuel and Nonfuel),Feet) Year Jan Feb Mar Apr MayAtmospheric Optical Depth7-1D: Vegetation ProposedUsingFun withconfinement plasmas in thein theSurfactant-Assisted Fabrication.

  20. High-Resolution Electrospray Ionization Mass Spectrometry Analysis of

    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:1 First Use of Energy for All Purposes (Fuel and Nonfuel),Feet) Year Jan Feb Mar Apr MayAtmospheric Optical Depth7-1D: Vegetation ProposedUsingFun withconfinement plasmas in thein theSurfactant-AssistedWater- Soluble Organic

  1. Extending the Capabilities of Single Particle Mass Spectrometry: I.

    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:1 First Use of Energy for All Purposes (Fuel and Nonfuel),Feet) Year Jan Feb Mar Apr MayAtmospheric Optical Depth7-1D: Vegetation ProposedUsing ZirconiaPolicy andExsolution Enhanced Oil Recovery with Concurrent CO2students

  2. Extending the Capabilities of Single Particle Mass Spectrometry: II.

    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:1 First Use of Energy for All Purposes (Fuel and Nonfuel),Feet) Year Jan Feb Mar Apr MayAtmospheric Optical Depth7-1D: Vegetation ProposedUsing ZirconiaPolicy andExsolution Enhanced Oil Recovery with Concurrent

  3. 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:1 First Use of Energy for All Purposes (Fuel and Nonfuel),Feet) Year Jan Feb Mar Apr MayAtmospheric Optical Depth7-1D: Vegetation ProposedUsingFun with Big Sky LearningGet Assistance GetGiant Protease TPP II'sGiantGift

  4. 21 Tesla mass spectrometry magnet arrives at EMSL | EMSL

    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:1 First Use of Energy for All Purposes (Fuel and Nonfuel),Feet) Year Jan Feb Mar Apr May Jun Jul(Summary)morphinanInformation Desert SouthwestTechnologies |November 2011 Mon, Next2025 Power Marketing Initiative1 Tesla

  5. 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:1 First Use of Energy for All Purposes (Fuel and Nonfuel),Feet) Year Jan Feb Mar Apr MayAtmospheric Optical Depth7-1D: Vegetation ProposedUsingFun withconfinementEtching.348 270 300 219 255RetrievalsVehiclesLaboratory in

  6. Improving liquid chromatography-mass spectrometry sensitivity using a

    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:1 First Use of Energy for All Purposes (Fuel and Nonfuel),Feet) Year Jan Feb Mar Apr MayAtmospheric Optical Depth7-1D: Vegetation ProposedUsingFun withconfinementEtching.348 270 300 219ImprovementsImproving Well

  7. 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:1 First Use of Energy for All Purposes (Fuel and Nonfuel),Feet) Year Jan Feb Mar Apr MayAtmospheric Optical Depth (AOD)ProductssondeadjustsondeadjustAboutScience Program Cumulus Humilis, 2014Automated Algorithm forPortal

  8. Liquid Chromatography Mass Spectrometry-Based Proteomics: Biological and

    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:1 First Use of Energy for All Purposes (Fuel and Nonfuel),Feet) Year Jan Feb Mar Apr MayAtmospheric Optical Depth7-1D: VegetationEquipment Surfaces and Interfaces Sample6, 2011Liisa O'Neill AboutLiquefiedTechnological

  9. Liquid Chromatography-Mass Spectrometry-based Quantitative Proteomics. |

    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:1 First Use of Energy for All Purposes (Fuel and Nonfuel),Feet) Year Jan Feb Mar Apr MayAtmospheric Optical Depth7-1D: VegetationEquipment Surfaces and Interfaces Sample6, 2011Liisa O'Neill

  10. Mass spectrometry in biomarker applications: from untargeted discovery to

    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:1 First Use of Energy for All Purposes (Fuel and Nonfuel),Feet) Year Jan Feb Mar Apr MayAtmospheric Optical Depth7-1D: VegetationEquipment Surfaces andMapping the Nanoscale Landscape PrintSurveyMary

  11. 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:1 First Use of Energy for All Purposes (Fuel and Nonfuel),Feet) Year Jan Feb Mar Apr MayAtmospheric Optical Depth7-1D: VegetationEquipment Surfaces andMapping the Nanoscale Landscape PrintSurveyMaryspectrometry on

  12. Mass spectrometry-based proteomics: existing capabilities and future

    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:1 First Use of Energy for All Purposes (Fuel and Nonfuel),Feet) Year Jan Feb Mar Apr MayAtmospheric Optical Depth7-1D: VegetationEquipment Surfaces andMapping the Nanoscale Landscape PrintSurveyMaryspectrometry ondirections.

  13. Applications of High-Resolution Electrospray Ionization 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:1 First Use of Energy for All Purposes (Fuel and Nonfuel),Feet) Year Jan Feb Mar Apr MayAtmospheric Optical Depth (AOD)ProductssondeadjustsondeadjustAbout theOFFICEAmesApplication Acceleration onto Measurements of Average

  14. Mass Spectrometer: Ion Mobility Spectrometry, Time of Flight | EMSL

    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:1 First Use of Energy for All Purposes (Fuel and Nonfuel),Feet) Year Jan Feb Mar Apr May JunDatastreamsmmcrcalgovInstrumentsrucLas Conchas recovery challenge fund LasDubey selected asMaratMary Louise(ElementIon Mobility

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

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  16. Application of Electron Transfer Dissociation Mass Spectrometry in Analyses

    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:1 First Use of Energy for All Purposes (Fuel and Nonfuel),Feet) Year Jan Feb Mar Apr May JunDatastreamsmmcrcalgovInstrumentsruc DocumentationP-Series to someone by E-mailRadioimmunotherapy of Cancers.Appendix 2015of

  17. Applications of High-Resolution Electrospray Ionization 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:1 First Use of Energy for All Purposes (Fuel and Nonfuel),Feet) Year Jan Feb Mar Apr May JunDatastreamsmmcrcalgovInstrumentsruc DocumentationP-Series to someone by E-mailRadioimmunotherapy ofevolved gas

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

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

    AFDC Printable Version Share this resource Send a link to EERE: Alternative Fuels Data Center Home Page to someone by E-mail Share EERE: Alternative Fuels Data Center Home Page on Facebook Tweet about EERE: Alternative Fuels Data Center Home Page on Twitter Bookmark EERE:1 First Use of Energy for All Purposes (Fuel and Nonfuel),Feet) Year Jan Feb Mar Apr May JunDatastreamsmmcrcalgovInstrumentsruc DocumentationP-Series to someone byDear Friend,Arthur J. Nozik -GrownAnAtmosphericAirborne

  19. Recovering Sparse Low-rank Blocks in Tandem Mass Spectrometry

    E-Print Network [OSTI]

    , Pedro Navarro2, and Richard G. Baraniuk1 1 Rice University, Houston, TX, USA; e-mail: {studer, richb}@rice.edu 2 ETH Z¨urich, Z¨urich, Switzerland; e-mail: graemepope@gmail.com, navarro

  20. A comb-sampling method for enhanced mass analysis in linear electrostatic ion traps

    SciTech Connect (OSTI)

    Greenwood, J. B.; Kelly, O.; Calvert, C. R.; Duffy, M. J.; King, R. B.; Belshaw, L.; Graham, L.; Alexander, J. D.; Williams, I. D. [Centre for Plasma Physics, School of Mathematics and Physics, Queen's University Belfast, Belfast BT7 1NN (United Kingdom); Bryan, W. A. [Department of Physics, Swansea University, Swansea SA2 8PP (United Kingdom); Turcu, I. C. E.; Cacho, C. M.; Springate, E. [Central Laser Facility, STFC Rutherford Appleton Laboratory, Didcot, Oxfordshire OX11 0QX (United Kingdom)

    2011-04-15T23:59:59.000Z

    In this paper an algorithm for extracting spectral information from signals containing a series of narrow periodic impulses is presented. Such signals can typically be acquired by pickup detectors from the image-charge of ion bunches oscillating in a linear electrostatic ion trap, where frequency analysis provides a scheme for high-resolution mass spectrometry. To provide an improved technique for such frequency analysis, we introduce the CHIMERA algorithm (Comb-sampling for High-resolution IMpulse-train frequency ExtRAaction). This algorithm utilizes a comb function to generate frequency coefficients, rather than using sinusoids via a Fourier transform, since the comb provides a superior match to the data. This new technique is developed theoretically, applied to synthetic data, and then used to perform high resolution mass spectrometry on real data from an ion trap. If the ions are generated at a localized point in time and space, and the data is simultaneously acquired with multiple pickup rings, the method is shown to be a significant improvement on Fourier analysis. The mass spectra generated typically have an order of magnitude higher resolution compared with that obtained from fundamental Fourier frequencies, and are absent of large contributions from harmonic frequency components.

  1. 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.

  2. ULTRA-DEEP HUBBLE SPACE TELESCOPE IMAGING OF THE SMALL MAGELLANIC CLOUD: THE INITIAL MASS FUNCTION OF STARS WITH M {approx}< 1 M {sub Sun}

    SciTech Connect (OSTI)

    Kalirai, Jason S.; Anderson, Jay; Dotter, Aaron; Reid, I. Neill [Space Telescope Science Institute, 3700 San Martin Drive, Baltimore, MD 21218 (United States)] [Space Telescope Science Institute, 3700 San Martin Drive, Baltimore, MD 21218 (United States); Richer, Harvey B. [Department of Physics and Astronomy, University of British Columbia, Vancouver, BC (Canada)] [Department of Physics and Astronomy, University of British Columbia, Vancouver, BC (Canada); Fahlman, Gregory G. [National Research Council, Herzberg Institute of Astrophysics, Victoria, BC (Canada)] [National Research Council, Herzberg Institute of Astrophysics, Victoria, BC (Canada); Hansen, Brad M. S.; Rich, R. Michael [Division of Astronomy and Astrophysics, University of California at Los Angeles, Los Angeles, CA 90095 (United States)] [Division of Astronomy and Astrophysics, University of California at Los Angeles, Los Angeles, CA 90095 (United States); Hurley, Jarrod [Center for Astrophysics and Supercomputing, Swinburne University of Technology, Hawthorn VIC 3122 (Australia)] [Center for Astrophysics and Supercomputing, Swinburne University of Technology, Hawthorn VIC 3122 (Australia); Shara, Michael M., E-mail: jkalirai@stsci.edu, E-mail: jayander@stsci.edu, E-mail: dotter@stsci.edu, E-mail: richer@astro.ubc.ca, E-mail: greg.fahlman@nrc-cnrc.gc.ca, E-mail: hansen@astro.ucla.edu, E-mail: rmr@astro.ucla.edu, E-mail: jhurley@swin.edu.au, E-mail: mshara@amnh.org [Department of Astrophysics, American Museum of Natural History, Central Park West and 79th Street, New York, NY 10024 (United States)

    2013-02-15T23:59:59.000Z

    We present a new measurement of the stellar initial mass function (IMF) based on ultra-deep, high-resolution photometry of >5000 stars in the outskirts of the Small Magellanic Cloud (SMC) galaxy. The Hubble Space Telescope (HST) Advanced Camera for Surveys observations reveal this rich, cospatial population behind the foreground globular cluster 47 Tuc, which we targeted for 121 HST orbits. The stellar main sequence of the SMC is measured in the F606W, F814W color-magnitude diagram down to {approx}30th magnitude, and is cleanly separated from the foreground star cluster population using proper motions. We simulate the SMC population by extracting stellar masses (single and unresolved binaries) from specific IMFs and converting those masses to luminosities in our bandpasses. The corresponding photometry for these simulated stars is drawn directly from a rich cloud of 4 million artificial stars, thereby accounting for the real photometric scatter and completeness of the data. Over a continuous and well-populated mass range of M = 0.37-0.93 M {sub Sun} (e.g., down to a {approx}75% completeness limit at F606W = 28.7), we demonstrate that the IMF is well represented by a single power-law form with slope {alpha} = -1.90 ({sup +0.15} {sub -0.10}) (3{sigma} error) (e.g., dN/dM{proportional_to} M {sup {alpha}}). This is shallower than the Salpeter slope of {alpha} = -2.35, which agrees with the observed stellar luminosity function at higher masses. Our results indicate that the IMF does not turn over to a more shallow power-law form within this mass range. We discuss implications of this result for the theory of star formation, the inferred masses of galaxies, and the (lack of a) variation of the IMF with metallicity.

  3. 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

  4. Cadmium measurements in coral skeleton using isotope dilutioninductively coupled plasmamass spectrometry

    E-Print Network [OSTI]

    Mcdonough, William F.

    of pollution in corals growing near industri- al/urban sites where Cd concentrations can be 10 times higher­mass spectrometry Kathryn A. Matthews Department of Earth and Environmental Science, University of Pennsylvania, 240 skeleton to construct records of the frequency and intensity of oceanic upwelling. During upwelling

  5. 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.

  6. Desorption Dynamics, Internal Energies and Imaging of Organic Molecules from Surfaces with Laser Desorption and Vacuum Ultraviolet (VUV) Photoionization

    SciTech Connect (OSTI)

    Kostko, Oleg; Takahashi, Lynelle K.; Ahmed, Musahid

    2011-04-05T23:59:59.000Z

    There is enormous interest in visualizing the chemical composition of organic material that comprises our world. A convenient method to obtain molecular information with high spatial resolution is imaging mass spectrometry. However, the internal energy deposited within molecules upon transfer to the gas phase from a surface can lead to increased fragmentation and to complications in analysis of mass spectra. Here it is shown that in laser desorption with postionization by tunable vacuum ultraviolet (VUV) radiation, the internal energy gained during laser desorption leads to minimal fragmentation of DNA bases. The internal temperature of laser-desorbed triacontane molecules approaches 670 K, whereas the internal temperature of thymine is 800 K. A synchrotron-based VUV postionization technique for determining translational temperatures reveals that biomolecules have translational temperatures in the range of 216-346 K. The observed low translational temperatures, as well as their decrease with increased desorption laser power is explained by collisional cooling. An example of imaging mass spectrometry on an organic polymer, using laser desorption VUV postionization shows 5 mu m feature details while using a 30 mu m laser spot size and 7 ns duration. Applications of laser desorption postionization to the analysis of cellulose, lignin and humic acids are briefly discussed.

  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. 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...

  9. 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

  10. 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.

  11. Interpretation of snow properties from imaging spectrometry Jeff Dozier a,

    E-Print Network [OSTI]

    Dozier, Jeff

    solar radiation as an input value, most significantly in locations and at times where incident solar of the fractional snow-cover and albedo estimates to multispectral sensors, particularly MODIS, the Moderate's energy balance, because the reduced albedo often occurs in the spring and summer as the incoming solar

  12. RAPID COMMUNICATIONS IN MASS SPECTROMETRY Rapid Commun. Mass Spectrom. 2005; 19: 25282538

    E-Print Network [OSTI]

    Evans, Jason

    the collision-induced decomposition spectra of ammoniated triglycerides as a function of fatty acid chain length of the collision-induced decomposition (CID) products of ammoniated TAGs (ammonium ion adducts) were examined corresponding to loss of that fatty acid. Mechanisms of the formation and decomposition of ammoniated TAGs

  13. Bio-mass for biomass: biological mass spectrometry techniques for biomass fast pyrolysis oils.

    E-Print Network [OSTI]

    Dalluge, Erica A.

    2013-01-01T23:59:59.000Z

    ??Biomass fast pyrolysis oils, or bio-oils, are a promising renewable energy source to supplement or replace petroleum-based products and fuels. However, there is a current… (more)

  14. Capillary LC Coupled with High-Mass Measurement Accuracy 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:1 First Use of Energy for All Purposes (Fuel and Nonfuel),Feet) Year Jan Feb Mar Apr MayAtmospheric Optical Depth7-1D: Vegetation Proposed New Substation Sites Proposed Route BTRICGEGR-N- EnergyDemonstration of Hyraxfor

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

    E-Print Network [OSTI]

    Yang, Jian

    established that the new ILMs provided good spottospot reproducibility and high ionization efficiency compared/ionization mass spectrometry (MALDIMS). The polymers, formed by a condensation reaction of three components

  16. 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.

  17. 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.

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

    SciTech Connect (OSTI)

    Block, M.; Ackermann, D.; Herfurth, F.; Hofmann, S. [GSI Helmholtzzentrum fuer Schwerionenforschung GmbH, 64291 Darmstadt (Germany); Blaum, K. [Max-Planck-Institut fuer Kernphysik, 69117 Heidelberg, Germany and Ruprecht-Karls-Universitaet, 69120 Heidelberg (Germany); Droese, C.; Marx, G.; Schweikhard, L. [Ernst-Moritz-Arndt-Universitaet, 17487 Greifswald (Germany); Duellmann, Ch. E. [Johannes Gutenberg-Universitaet, 55099 Mainz, Germany and GSI Helmholtzzentrum fuer Schwerionenforschung GmbH, 64291 Darmstadt, Germany and Helmholtz-Institut Mainz, 55099 Mainz (Germany); Eibach, M. [Ruprecht-Karls-Universitaet, 69120 Heidelberg, Germany and Johannes Gutenberg-Universitaet, 55099 Mainz (Germany); Eliseev, S. [Max-Planck-Institut fuer Kernphysik, 69117 Heidelberg (Germany); Haettner, E.; Plass, W. R.; Scheidenberger, C. [GSI Helmholtzzentrum fuer Schwerionenforschung GmbH, 64291 Darmstadt, Germany and Justus-Liebig-Universitaet, 35392 Giessen (Germany); Hessberger, F. P. [GSI Helmholtzzentrum fuer Schwerionenforschung GmbH, 64291 Darmstadt, Germany and Helmholtz-Institut Mainz, 55099 Mainz (Germany); Ramirez, E. Minaya [Helmholtz-Institut Mainz, 55099 Mainz, Germany and GSI Helmholtzzentrum fuer Schwerionenforschung GmbH, 64291 Darmstadt (Germany); Nesterenko, D. [Petersburg Nuclear Physics Institute, Gatchina, 188300 St. Petersburg (Russian Federation); and others

    2013-03-19T23:59:59.000Z

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

  19. 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.

  20. An Automated Platform for High-Resolution Tissue Imaging Using...

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

    entire image is acquired. The performance of the system is demonstrated by imaging rat brain tissue sections. High resolution mass analysis combined with MSMS experiments enabled...

  1. Matej Mayer RBS -Rutherford Backscattering Spectrometry

    E-Print Network [OSTI]

    Smith, Richard J.

    Chemistry 29 (1957) 736 "Nuclear scattering and nuclear reactions induced by high energy protons#12;#12;© Matej Mayer 2003 1 RBS - Rutherford Backscattering Spectrometry M. Mayer Max power and energy loss · Detector resolution · Energy loss straggling · Cross sections from selected

  2. ORIGINAL PAPER Using nanoelectrospray ion mobility spectrometry

    E-Print Network [OSTI]

    Economou, Tassos

    ORIGINAL PAPER Using nanoelectrospray ion mobility spectrometry (GEMMA) to determine the size-phase electrophoretic mobil- ity molecular analyzer (GEMMA) has received increased attention for such measurements, isolated and purified using standard biochemical protocols, were also analyzed using multi-angle laser

  3. Compact hydrogen/helium isotope mass spectrometer

    DOE Patents [OSTI]

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

    1996-01-01T23:59:59.000Z

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

  4. Combined distance-of-flight and time-of-flight mass spectrometer

    DOE Patents [OSTI]

    Enke, Christie G; Ray, Steven J; Graham, Alexander W; Hieftje, Gary M; Barinaga, Charles J; Koppenaal, David W

    2014-02-11T23:59:59.000Z

    A combined distance-of-flight mass spectrometry (DOFMS) and time-of-flight mass spectrometry (TOFMS) instrument includes an ion source configured to produce ions having varying mass-to-charge ratios, a first detector configured to determine when each of the ions travels a predetermined distance, a second detector configured to determine how far each of the ions travels in a predetermined time, and a detector extraction region operable to direct portions of the ions either to the first detector or to the second detector.

  5. Mass and Lifetime Measurements in Storage Rings

    SciTech Connect (OSTI)

    Weick, H.; Beckert, K.; Beller, P.; Bosch, F.; Dimopoulou, C.; Kozhuharov, C.; Kurcewicz, J.; Mazzocco, M.; Nociforo, C.; Nolden, F.; Steck, M.; Sun, B.; Winkler, M. [Gesellschaft fuer Schwerionenforschung mbH, 64291 Darmstadt (Germany); Brandau, C.; Chen, L.; Geissel, H.; Knoebel, R.; Litvinov, S. A.; Litvinov, Yu. A.; Scheidenberger, C. [Gesellschaft fuer Schwerionenforschung mbH, 64291 Darmstadt (Germany); II. Phys. Institut, Justus-Liebig-Universitaet Giessen, 35392 Giessen (Germany)] (and others)

    2007-05-22T23:59:59.000Z

    Masses of nuclides covering a large area of the chart of nuclides can be measured in storage rings where many ions circulate at the same time. In this paper the recent progress in the analysis of Schottky mass spectrometry data is presented as well as the technical improvements leading to higher accuracy for isochronous mass measurements with a time-of-flight detector. The high sensitivity of the Schottky method down to single ions allows to measure lifetimes of nuclides by observing mother and daughter nucleus simultaneously. In this way we investigated the decay of bare and H-like 140Pr. As we could show the lifetime can be even shortened compared to those of atomic nuclei despite of a lower number of electrons available for internal conversion or electron capture.All these techniques will be implemented with further improvements at the storage rings of the new FAIR facility at GSI in the future.

  6. Heavy ion Rutherford Backscattering Spectrometry (HIRBS) for the near surface characterization of electronic materials

    SciTech Connect (OSTI)

    Yu, K.M.

    1984-12-01T23:59:59.000Z

    The use of heavy ion projectiles for Rutherford Backscattering Spectrometry (RBS) provides several potential advantages over conventional RBS with /sup 4/He beams. Among these advantages are the improved mass resolution for heavy elements (>50 amu) and the increased accessible depth of analysis. A series of experiments using 20-MeV /sup 16/O beam backscattered from a variety of targets was performed in order to examine the potential advantages of heavy ion RBS in the near-surface characterization of semiconductors with masses >50 amu. Important questions such as mass resolution, depth resolution, isotopic effects, absolute sensitivity and minimum detectable limit of impurities were investigated. Ion implantations and multiple layered structures on GaAs substrates as well as metal germanide systems were studied. The development of the method in conjunction with the channeling technique is also discussed.

  7. 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}.

  8. aerial gamma spectrometry: Topics by E-print Network

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

    Gamma Mannheim, Universitt 3 Standard guide for high-resolution gamma-ray spectrometry of soil samples CERN Preprints Summary: 1.1 This guide covers the identification...

  9. alpha spectrometry contribution: Topics by E-print Network

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

    Carlo code, known as AASI, is developed for simulating energy spectra in alpha spectrometry. The code documented here is a comprehensive package where all the major processes...

  10. E-Print Network 3.0 - absorption spectrometry configurations...

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

    Trace Elements in Biological Tissues by Summary: Block Digestion and Spike-Height Flame Atomic Absorption Spectrometry ,.. U. TINGGI AND W. MAHER School... absorption...

  11. E-Print Network 3.0 - absorption spectrometry analyticalmethod...

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

    Trace Elements in Biological Tissues by Summary: Block Digestion and Spike-Height Flame Atomic Absorption Spectrometry ,.. U. TINGGI AND W. MAHER School... absorption...

  12. archaeology mechanisms spectrometrie: Topics by E-print Network

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

    in the atmosphere influences Seitzinger, Sybil 405 Theoretical Mobility Analysis of Ion Mobility Spectrometry Physics Websites Summary: Results Theoretical Mobility Analysis...

  13. Compact mass spectrometer for plasma discharge ion analysis

    DOE Patents [OSTI]

    Tuszewski, M.G.

    1997-07-22T23:59:59.000Z

    A mass spectrometer and methods are disclosed for mass spectrometry which are useful in characterizing a plasma. This mass spectrometer for determining type and quantity of ions present in a plasma is simple, compact, and inexpensive. It accomplishes mass analysis in a single step, rather than the usual two-step process comprised of ion extraction followed by mass filtering. Ions are captured by a measuring element placed in a plasma and accelerated by a known applied voltage. Captured ions are bent into near-circular orbits by a magnetic field such that they strike a collector, producing an electric current. Ion orbits vary with applied voltage and proton mass ratio of the ions, so that ion species may be identified. Current flow provides an indication of quantity of ions striking the collector. 7 figs.

  14. Compact mass spectrometer for plasma discharge ion analysis

    DOE Patents [OSTI]

    Tuszewski, Michel G. (Los Alamos, NM)

    1997-01-01T23:59:59.000Z

    A mass spectrometer and methods for mass spectrometry which are useful in characterizing a plasma. This mass spectrometer for determining type and quantity of ions present in a plasma is simple, compact, and inexpensive. It accomplishes mass analysis in a single step, rather than the usual two-step process comprised of ion extraction followed by mass filtering. Ions are captured by a measuring element placed in a plasma and accelerated by a known applied voltage. Captured ions are bent into near-circular orbits by a magnetic field such that they strike a collector, producing an electric current. Ion orbits vary with applied voltage and proton mass ratio of the ions, so that ion species may be identified. Current flow provides an indication of quantity of ions striking the collector.

  15. NMIS With Gamma Spectrometry for Attributes of Pu and HEU, Explosives and Chemical Agents

    SciTech Connect (OSTI)

    Mihalczo, J. T.; Mattingly, J. K.; Mullens, J. A.; Neal, J. S.

    2002-05-10T23:59:59.000Z

    The concept for the system described herein is an active/passive Nuclear Materials Identification System{sup 2} (NMIS) that incorporates gamma ray spectrometry{sup 3}. This incorporation of gamma ray spectrometry would add existing capability into this system. This Multiple Attribute System can determine a wide variety of attributes for Pu and highly enriched uranium (HEU) of which a selected subset could be chosen. This system can be built using commercial off the shelf (COTS) components. NMIS systems are at All-Russian Scientific Research Institute of Experimental Physics (VNIIEF) and Russian Federal Nuclear Center Institute of Technical Physics, (VNIITF) and measurements with Pu have been performed at VNIIEF and analyzed successfully for mass and thickness of Pu. NMIS systems are being used successfully for HEU at the Y-12 National Security Complex. The use of active gamma ray spectrometry for high explosive HE and chemical agent detection is a well known activation analysis technique, and it is incorporated here. This report describes the system, explains the attribute determination methods for fissile materials, discusses technical issues to be resolved, discusses additional development needs, presents a schedule for building from COTS components, and assembly with existing components, and discusses implementation issues such as lack of need for facility modification and low radiation exposure.

  16. In situ molecular imaging of hydrated biofilm in a microfluidic reactor by ToF-SIMS

    SciTech Connect (OSTI)

    Hua, Xin; Yu, Xiao-Ying; Wang, Zhaoying; Yang, Li; Liu, Bingwen; Zhu, Zihua; Tucker, Abigail E.; Chrisler, William B.; Hill, Eric A.; Thevuthasan, Suntharampillai; Lin, Yuehe; Liu, Songqin; Marshall, Matthew J.

    2014-02-26T23:59:59.000Z

    The first results of using a novel single channel microfluidic reactor to enable Shewanella biofilm growth and in situ characterization using time-of-flight secondary ion mass spectrometry (ToF-SIMS) in the hydrated environment are presented. The new microfluidic interface allows direct probing of the liquid surface using ToF-SIMS, a vacuum surface technique. The detection window is an aperture of 2 m in diameter on a thin silicon nitride (SiN) membrane and it allows direct detection of the liquid surface. Surface tension of the liquid flowing inside the microchannel holds the liquid within the aperture. ToF-SIMS depth profiling was used to drill through the SiN membrane and the biofilm grown on the substrate. In situ 2D imaging of the biofilm in hydrated state was acquired, providing spatial distribution of the chemical compounds in the biofilm system. This data was compared with a medium filled microfluidic reactor devoid of biofilm and dried biofilm samples deposited on clean silicon wafers. Principle Component Analysis (PCA) was used to investigate these observations. Our results show that imaging biofilms in the hydrated environment using ToF-SIMS is possible using the unique microfluidic reactor. Moreover, characteristic biofilm fatty acids fragments were observed in the hydrated biofilm grown in the microfluidic channel, illustrating the advantage of imaging biofilm in its native environment.

  17. Test Images

    E-Print Network [OSTI]

    Test Images. I hope to have a set of test images for the course soon. Some images are available now; some will have to wait until I can find another 100-200

  18. Image Analysis

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

    Recognition Image Analysis and Recognition Snapshot1498121slicesqResedison Fibers permeating imaged material (Courtesy: Bale, Loring, Perciano and Ushizima) Imagery coming from...

  19. Determination of tritium distribution in labeled compounds using EPR spectrometry

    SciTech Connect (OSTI)

    Postolache, C.; Matei, L.; Georgescu, R. [Horia Hulubei, National Inst. for Physics and Nuclear Engineering IFIN HH, 407 Atomistilor street, 077125 Magurele Ilfov (Romania)

    2008-07-15T23:59:59.000Z

    Usually, the tritium distribution in a labeled compound is analyzed by T-NMR spectrometry. NMR equipment is expensive and its sensitivity is lower in comparison to EPR spectrometry. In this paper, the possibility of determining the distribution of tritium in a labeled molecule using self-radiolytic decay processes was analyzed. (authors)

  20. E-Print Network 3.0 - atomic fluorescence spectrometry Sample...

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

    avril1994 Summary: down to about 310 nm. Such powers are sufficient for laser atomic absorption spectrometry (LAAS... spectrometry where the low-frequency noise of the...

  1. E-Print Network 3.0 - absorption spectrometry faas Sample Search...

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

    and Marco A. Z. Arruda* Summary: for metal determination is normally carried out by flame atomic absorption spectrometry (FAAS). The main... atomic absorption spectrometry (FAAS)...

  2. E-Print Network 3.0 - absorption spectrometry combination Sample...

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

    Analytical combining RINH and IMS facilities RINH Genomics will re locate... absorption spectrometry Atomic fluorescence spectrometry (As, Se, Hg) Contact Joerg...

  3. Method and apparatuses for ion cyclotron spectrometry

    DOE Patents [OSTI]

    Dahl, David A. (Idaho Falls, ID); Scott, Jill R. (Idaho Falls, ID); McJunkin, Timothy R. (Idaho Falls, ID)

    2012-03-06T23:59:59.000Z

    An ion cyclotron spectrometer may include a vacuum chamber that extends at least along a z-axis and means for producing a magnetic field within the vacuum chamber so that a magnetic field vector is generally parallel to the z-axis. The ion cyclotron spectrometer may also include means for producing a trapping electric field within the vacuum chamber. The trapping electric field may comprise a field potential that, when taken in cross-section along the z-axis, includes at least one section that is concave down and at least one section that is concave up so that ions traversing the field potential experience a net magnetron effect on a cyclotron frequency of the ions that is substantially equal to zero. Other apparatuses and a method for performing ion cyclotron spectrometry are also disclosed herein.

  4. Method of trivalent chromium concentration determination by atomic spectrometry

    DOE Patents [OSTI]

    Reheulishvili, Aleksandre N. (Tbilisi, 0183, GE); Tsibakhashvili, Neli Ya. (Tbilisi, 0101, GE)

    2006-12-12T23:59:59.000Z

    A method is disclosed for determining the concentration of trivalent chromium Cr(III) in a sample. The addition of perchloric acid has been found to increase the atomic chromium spectrometric signal due to Cr(III), while leaving the signal due to hexavalent chromium Cr(VI) unchanged. This enables determination of the Cr(III) concentration without pre-concentration or pre-separation from chromium of other valences. The Cr(III) concentration may be measured using atomic absorption spectrometry, atomic emission spectrometry or atomic fluorescence spectrometry.

  5. People Images

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

    People Images People Images Several hundred of the 1700 U.S. scientists contributing to the LHC accelerator and experiments gathered in June 2008 in CERN's building 40 CE0252 Joel...

  6. Electrospray ionization mass spectrometric characterization of acrylamide adducts to hemoglobin

    SciTech Connect (OSTI)

    Springer, D.L.; Goheen, S.C.; Edmonds, C.G. (Pacific Northwest Lab., Richland, WA (United States)); Bull, R.J.; Sylvester, D.M. (Washington State Univ., Pullman, WA (United States))

    1993-01-01T23:59:59.000Z

    The most common procedure to identify hemoglobin adducts has been to cleave the adducts from the protein and characterize the adducting species, by, for example, derivatization and gas chromatography/mass spectrometry. To extend these approaches we used electrospray ionization mass spectrometry (ESI-MS) to characterize adducted hemoglobin. For this we incubated [[sup 14]C]acrylamide with the purified human hemoglobin (type A[sub 0]) under conditions that yielded high adduct levels. When the hemoglobin was separated by reversed-phase high-performance liquid chromatography (HPLC), 65% of the radioactivity copurified with the [beta]-subunit. Three adducted species were prominent in the ESI mass spectrum of the intact [beta]-subunit, indicating acrylamide adduction (i.e., mass increase of 71 Da) and two addition unidentified moieties with mass increments of 102 and 135 Da. Endoproteinase Glu-C digestion of the adducted [beta]-subunit resulted in a peptide mixture that, upon reversed-phase HPLC separation, provided several radiolabeled peptides. Using ESI-MS we identified these as the V[sub 91-101] and V[sub 102-122] peptides that represent the cysteine-containing peptides of the [beta]-subunit. These results provide definitive information on acrylamide-modified human hemoglobin and demonstrate that ESI-MS provides valuable structure information on chemically adducted proteins. 30 refs., 9 figs., 3 tabs.

  7. 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.

  8. Automatic Identification of Proteins with a MALDI-Quadrupole Ion Trap Mass Spectrometer

    E-Print Network [OSTI]

    Chait, Brian T.

    the sample with relatively high energy- density laser pulsessthe practical result is that is often, automatic identification of proteins. A mass spectrometry-based method can satisfy this need if it (1) produces high-quality MS and MS/MS data; (2) has femtomole sensitivity; (3) is fast, i.e., collects spectra

  9. Mass spectrometric analysis of selected radiolyzed amino acids in an astrochemical context

    E-Print Network [OSTI]

    are completely shielded from cosmic rays and are exposed only to the high energy radiation derived from the decay of chirality to high energy radiation, Cataldo and colleagues [6­10] have started a systematic study (ORD) were analyzed in the present work by mass spectrometry with the purpose to identify

  10. Image alignment

    DOE Patents [OSTI]

    Dowell, Larry Jonathan

    2014-04-22T23:59:59.000Z

    Disclosed is a method and device for aligning at least two digital images. An embodiment may use frequency-domain transforms of small tiles created from each image to identify substantially similar, "distinguishing" features within each of the images, and then align the images together based on the location of the distinguishing features. To accomplish this, an embodiment may create equal sized tile sub-images for each image. A "key" for each tile may be created by performing a frequency-domain transform calculation on each tile. A information-distance difference between each possible pair of tiles on each image may be calculated to identify distinguishing features. From analysis of the information-distance differences of the pairs of tiles, a subset of tiles with high discrimination metrics in relation to other tiles may be located for each image. The subset of distinguishing tiles for each image may then be compared to locate tiles with substantially similar keys and/or information-distance metrics to other tiles of other images. Once similar tiles are located for each image, the images may be aligned in relation to the identified similar tiles.

  11. Atomic Absorption Spectrometry Perkin Elmer 500, Chemistry & Biochemistry

    E-Print Network [OSTI]

    Gruner, Daniel S.

    Atomic Absorption Spectrometry · Perkin Elmer 500, Chemistry & Biochemistry · Perkin Elmer 560 AA-star stopped flow with absorption, fluorescence and circular dichroism detection · KinTek quench flow apparatus

  12. 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...

  13. In situ flame chemistry tracing by imaging photoelectron photoion coincidence spectroscopy

    SciTech Connect (OSTI)

    Oßwald, P.; Köhler, M. [German Aerospace Center (DLR) – Institute of Combustion Technology, Stuttgart 70569 (Germany)] [German Aerospace Center (DLR) – Institute of Combustion Technology, Stuttgart 70569 (Germany); Hemberger, P.; Bodi, A.; Gerber, T. [Molecular Dynamics Group, Paul Scherrer Institut, CH-5232 Villigen (Switzerland)] [Molecular Dynamics Group, Paul Scherrer Institut, CH-5232 Villigen (Switzerland); Bierkandt, T.; Akyildiz, E.; Kasper, T., E-mail: tina.kasper@uni-due.de [Mass Spectrometry in Reactive Flows - Thermodynamics (IVG), University of Duisburg-Essen, Duisburg (Germany)

    2014-02-15T23:59:59.000Z

    Adaptation of a low-pressure flat flame burner with a flame-sampling interface to the imaging photoelectron photoion coincidence spectrometer (iPEPICO) of the VUV beamline at the Swiss Light Source is presented. The combination of molecular-beam mass spectrometry and iPEPICO provides a new powerful analytical tool for the detailed investigation of reaction networks in flames. First results demonstrate the applicability of the new instrument to comprehensive flame diagnostics and the potentially high impact for reaction mechanism development for conventional and alternative fuels. Isomer specific identification of stable and radical flame species is demonstrated with unrivaled precision. Radical detection and identification is achieved for the initial H-abstraction products of fuel molecules as well as for the reaction controlling H, O, and OH radicals. Furthermore, quantitative evaluation of changing species concentrations during the combustion process and the applicability of respective results for kinetic model validation are demonstrated. Utilization of mass-selected threshold photoelectron spectra is shown to ensure precise signal assignment and highly reliable spatial profiles.

  14. High-Resolution Fast-Neutron Spectrometry for Arms Control and Treaty Verification

    SciTech Connect (OSTI)

    David L. Chichester; James T. Johnson; Edward H. Seabury

    2012-07-01T23:59:59.000Z

    Many nondestructive nuclear analysis techniques have been developed to support the measurement needs of arms control and treaty verification, including gross photon and neutron counting, low- and high-resolution gamma spectrometry, time-correlated neutron measurements, and photon and neutron imaging. One notable measurement technique that has not been extensively studied to date for these applications is high-resolution fast-neutron spectrometry (HRFNS). Applied for arms control and treaty verification, HRFNS has the potential to serve as a complimentary measurement approach to these other techniques by providing a means to either qualitatively or quantitatively determine the composition and thickness of non-nuclear materials surrounding neutron-emitting materials. The technique uses the normally-occurring neutrons present in arms control and treaty verification objects of interest as an internal source of neutrons for performing active-interrogation transmission measurements. Most low-Z nuclei of interest for arms control and treaty verification, including 9Be, 12C, 14N, and 16O, possess fast-neutron resonance features in their absorption cross sections in the 0.5- to 5-MeV energy range. Measuring the selective removal of source neutrons over this energy range, assuming for example a fission-spectrum starting distribution, may be used to estimate the stoichiometric composition of intervening materials between the neutron source and detector. At a simpler level, determination of the emitted fast-neutron spectrum may be used for fingerprinting 'known' assemblies for later use in template-matching tests. As with photon spectrometry, automated analysis of fast-neutron spectra may be performed to support decision making and reporting systems protected behind information barriers. This paper will report recent work at Idaho National Laboratory to explore the feasibility of using HRFNS for arms control and treaty verification applications, including simulations and experiments, using fission-spectrum neutron sources to assess neutron transmission through composite low-Z attenuators.

  15. Combining Capillary Electrochromatography with Ion Trap Accumulation and Time-of-Flight Mass Spectrometry 

    E-Print Network [OSTI]

    Simpson, David C

    metre, an average chromatographic efficiency of 95,000 was obtained with a test mixture that consisted of acenaphthene, biphenyl, fluorene, naphthalene and phenanthrene. Furthermore, using the leak inlet, naphthalene was detected as a 100 nM solution...

  16. New mass spectrometry techniques for studying physical chemistry of atmospheric heterogeneous processes

    E-Print Network [OSTI]

    Laskin, Julia; Laskin, Alexander; Nizkorodov, Sergey A

    2013-01-01T23:59:59.000Z

    J.J. Morgan, and M.R. Hoffmann, Science [11] J.P. Reid andVecitis, J. Cheng, M.R. Hoffmann, and A.J. Colussi, J. Phys.1953). [183] S. Enami, M.R. Hoffmann, and A.J. Colussi, J.

  17. Improving liquid chromatography-mass spectrometry sensitivity using a subambient pressure ionization with nanoelectrospray (SPIN) interface

    SciTech Connect (OSTI)

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

    2011-04-22T23:59:59.000Z

    In this work the Subambient Pressure Ionization with Nanoelectrospray (SPIN) ion source and interface which operates at ~15-30 Torr is demonstrated to be compatible with gradient reversed-phase liquid chromatography-MS applications, exemplified here with the analysis of complex samples (a protein tryptic digest and a whole cell lysate). A low liquid chromatographic flow rate (100-400 nL/min) allowed stable electrospray to be established while avoiding electrical breakdown. Efforts to increase the operating pressure of the SPIN source relative to previously reported designs prevented solvent freezing and enhanced charged cluster/droplet desolvation. A 5-12-fold improvement in sensitivity relative to a conventional atmospheric pressure nanoelectrospray ionization (ESI) source was obtained for detected peptides.

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

    E-Print Network [OSTI]

    Kersten, Roland David

    6 vancomycin Metlin, ID 44103 ESI-Q-TOF-MS 2 daunomycinID 3307 Metlin, ID 550 this study Reference ESI-LTQ-FT-MS

  19. Observation of duplex DNA-drug noncovalent complexes by electrospray ionization mass spectrometry

    SciTech Connect (OSTI)

    Gale, D.C.; Goodlett, D.R.; Light-Wahl, K.J.; Smith, R.D. (Pacific Northwest Lab., Richland, WA (United States))

    1994-06-29T23:59:59.000Z

    We have observed by ESI-MS the noncovalent complex formed between a minor groove binding molecule and a 12 base pair self-complementary oligonucleotide. When the ratio of Distamycin Dm to oligonucleotide was varied, oligonucleotide duplex, 1:1 Dm/oligonucleotide duplex, and 2:1 Dm/oligonucleotide duplex noncovalent complexes were observed, consistent with NMR results for the same sequence and Dm to oligonucleotide duplex concentration ratios. These results indicate that ESI-MS is an effective analytical technique for the detection of specific drug-oligonucleotide duplex noncovalent complexes and that specific noncovalent complexes can be observed reflecting stoichiometry in solution. Additional experiments to determine if ESI-MS can provide information on the specificity and selectivity of additional minor groove binding and intercalating molecules are in progress. 19 refs., 1 fig.

  20. Characterizing Pleiotropic Effects of Glucocorticoids in Mice Using Heavy Water Labeling and Mass Spectrometry

    E-Print Network [OSTI]

    Roohk, Donald Jason

    2011-01-01T23:59:59.000Z

    turnover rates by heavy water labeling of nonessential aminocell proliferation by heavy water labeling. Nature protocolscell proliferation by heavy water labeling. American journal

  1. Caution on the Use of Liquid Nitrogen Traps in Stable Hydrogen Isotope-Ratio Mass Spectrometry

    E-Print Network [OSTI]

    -mail: tbcoplen@usgs.gov. (1) Kirshenbaum, I. In Physical Properties and Analysis of Heavy Water; Urey, H. C with the process of adding liquid nitrogen (LN2) to top off the dewar of a stainless-steel water trap on a gaseous hydrogen-water platinum equilibration system. Al- though the cause of this isotopic fractionation

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

    E-Print Network [OSTI]

    for the stable isotopes of carbon-13 and oxygen-18 to determine the ratios of the rare (usually the heavy The reaction of acid with calcite produces solid calcium hydrogen phosphate, liquid water, and two gases, water then are exposed to a dry- ice slush, and the carbon dioxide sublimates while the water stays frozen. After two

  3. The use of mass spectrometry to characterize the metabolic output of bacterial pathogens

    E-Print Network [OSTI]

    Gonzalez, David

    2011-01-01T23:59:59.000Z

    Staphylococcus aureus (MRSA). Proc. Natl. Acad. Sci. U.S.A.Methicillin Resistance in MRSA. PLoS Pathog. 7, e1000533 24.oxide synthase sensitizes MRSA to host innate defenses and

  4. Proteogenomics : applications of mass spectrometry at the interface of genomics and proteomics

    E-Print Network [OSTI]

    Castellana, Natalie

    2012-01-01T23:59:59.000Z

    of proteomics and genomics to unravel the specificities ofetry and comparative genomics to analyze multiple genomes,”genome,” Comp. Funct. Genomics, vol. 3, no. 3, pp. 244–253,

  5. High resolution mass spectrometry method and system for analysis of whole proteins and other large molecules

    DOE Patents [OSTI]

    Reilly, Peter T. A. (Knoxville, TN) [Knoxville, TN; Harris, William A. (Naperville, IL) [Naperville, IL

    2010-03-02T23:59:59.000Z

    A matrix assisted laser desorption/ionization (MALDI) method and related system for analyzing high molecular weight analytes includes the steps of providing at least one matrix-containing particle inside an ion trap, wherein at least one high molecular weight analyte molecule is provided within the matrix-containing particle, and MALDI on the high molecular weight particle while within the ion trap. A laser power used for ionization is sufficient to completely vaporize the particle and form at least one high molecular weight analyte ion, but is low enough to avoid fragmenting the high molecular weight analyte ion. The high molecular weight analyte ion is extracted out from the ion trap, and is then analyzed using a detector. The detector is preferably a pyrolyzing and ionizing detector.

  6. 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.

  7. Studies of Atmospheric Chemistry and Reaction Mechanisms Using Optical Spectroscopy and Mass Spectrometry

    E-Print Network [OSTI]

    Liu, Yingdi

    2011-01-01T23:59:59.000Z

    discharge of oxygen gas from an ozone generator (Welsbachdischarge of oxygen gas from an ozone generator (Welsbachdischarge of oxygen gas from an ozone generator (Welsbach

  8. Submicron particles at Thompson Farm during ICARTT measured using aerosol mass spectrometry

    E-Print Network [OSTI]

    Zhang, Qi

    scattering/ absorption of solar short-wave radiation and/or planetary long-wave radiation) and indirectly, the North Atlantic Ocean, and Europe from 1 July through 15 August 2004 [Fehsenfeld et al., 2006]. Several ground stations and aircraft as well as the National Oceanic and Atmospheric Administration (NOAA

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

    E-Print Network [OSTI]

    Blaze, Melvin M. T.

    2011-01-01T23:59:59.000Z

    A. ; Arlinghaus, H. F. A ppl. Surf. Sci. Wucher, A. ; Cheng,Wucher, A. ; Winograd, N. A ppl. Surf. Sci. 2004, Kozole,Kurczy, M. ; Winograd, N. A ppl. Surf. Sci. 2006, 252, 6789.

  10. Computational mass spectrometry : algorithms for identification of peptides not present in protein databases

    E-Print Network [OSTI]

    Ng, Julio

    2011-01-01T23:59:59.000Z

    of a fusion kinase NPM- ALK that activates signalingtranslocation partners. The NPM-ALK and TPM3-ALK fusionthe breakpoints in the NPM-ALK and TPM3-ALK fusion proteins.

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

    E-Print Network [OSTI]

    Gamez, Roberto

    2014-05-05T23:59:59.000Z

    mixtures is described. In these experiments, stable phospholipid capped AuNRs are produced by tethering some of the phospholipids to the surface of the AuNRs though a covalent, gold-thiol linkage. The effectiveness of the biosensor is demonstrated...

  12. Science of Signatures Workshop on Secondary Ion Mass Spectrometry (SIMS) Applications July 24, 2012

    SciTech Connect (OSTI)

    Hickmott, Donald D [Los Alamos National Laboratory; Riciputi, Lee D [Los Alamos National Laboratory

    2012-07-23T23:59:59.000Z

    The science of signatures focus areas are: (1) Radiological and Nuclear; (2) Chemical and Materials (including explosives); (3) Biological - Signatures of Disease and Health; (4) Energy; (5) Climate; and (6) Space.

  13. International Journal of Mass Spectrometry 280 (2009) 204208 Contents lists available at ScienceDirect

    E-Print Network [OSTI]

    Berry, R. Stephen

    Franck Institute, The University of Chicago, 929 East 57th Street, Chicago, IL 60637, United States b 13% of the total sam- ple. The balance between the mean energy change per particle, , and the mean

  14. PCRElectrospray Ionization Mass Spectrometry The Potential to Change Infectious Disease Diagnostics in

    E-Print Network [OSTI]

    Wysocki, Vicki H.

    funding and educational honoraria from Abbott Molecular and Ibis Biosciences (D.M.W.). Accepted for publication February 9, 2012. Disclosure: D.M.W. receives research grants, consulting fees, and

  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. 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

    - tope peak would be expected to occur. (A): The enzyme was incu- 18 bated with citrulline and (8&- 0 )ATP. (B): The enzyme was incu- 6 bated with citrulline, succinate, and, PT- 0 )ATP. (C): The ( 18 enzyme was incubated wi+h ATP and (ureido- 0)ci...

  17. Microscale detection of polychlorinated biphenyls using two-step laser mass spectrometry

    E-Print Network [OSTI]

    Zare, Richard N.

    1232, 1242, and 1262) and three samples of activated carbon spiked with Aroclor 1242 are examined. All follows the relative natural abundances of the carbon and chlorine isotopes. L2 MS analyses of the spiked particles of activated carbon reveal the presence of PCBs and an abundance of polycyclic aromatic

  18. Laser Microprobe Mass lSpectrometry of Quaternary Phosphonium Salts: Direct Versus

    E-Print Network [OSTI]

    Vertes, Akos

    of artifact ions that originate from thermal degradation and surface recombination reactions and (2) poor shot- to-shot reproducibility of the spectra. Dilution of the organic salts in a suitable, UV-nitrobenzylalcohol) indicates that the effectiveness of a matrix to reduce thermal degradation and to decrease

  19. THE KINETICS OF LASER PULSE VAPORIZATION OF URANIUM DIOXIDE BY MASS SPECTROMETRY

    E-Print Network [OSTI]

    Tsai, Chuen-horng

    2012-01-01T23:59:59.000Z

    B. Nicholson, "VENUS-II: An LMFBR Disassembly Program," ANL-metal fast breeder reactor (LMFBR) safety analysis. Most

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

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    Pantazatos, Dennis Peter

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